USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 66 ASNHD21 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : A 66 ASNHD22 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD21 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD22 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD Set 1.1: B 61 LYS NZ :NH3+ -163:sc= 1.26 (180deg=-0.0656) USER MOD Set 1.2: B 67 GLN : amide:sc= 0.969 K(o=2.2,f=-8.7!) USER MOD Set 2.1: B 44 GLN : amide:sc= 0.705 K(o=1.4,f=-3.8) USER MOD Set 2.2: B 45 GLN : amide:sc= 0.724 K(o=1.4,f=-3.8!) USER MOD Set 3.1: A 85 LYS NZ :NH3+ 160:sc= 1.17 (180deg=-0.152) USER MOD Set 3.2: B 74 ASN : amide:sc= 1.71 K(o=2.9,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.274 (180deg=-0.0755) USER MOD Single : A 7 THR OG1 : rot -167:sc= 1.23 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 26 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 173:sc= 0.897 USER MOD Single : A 34 SER OG : rot 180:sc= 0.083 USER MOD Single : A 36 ASN : amide:sc= 1.21 K(o=1.2,f=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 1.93 (180deg=1.86) USER MOD Single : A 43 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.12 K(o=1.1,f=-0.17) USER MOD Single : A 48 HIS : no HD1:sc= -0.0787 X(o=-0.079,f=-0.072) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.16 (180deg=-0.84!) USER MOD Single : A 55 SER OG : rot 42:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 0.43 (180deg=-3.57!) USER MOD Single : A 60 MET CE :methyl -175:sc= 0 (180deg=-0.0319) USER MOD Single : A 61 LYS NZ :NH3+ 133:sc= 1.18 (180deg=0.85) USER MOD Single : A 62 SER OG : rot 74:sc= 1.14 USER MOD Single : A 67 GLN : amide:sc= 0.997 K(o=1,f=-0.41) USER MOD Single : A 69 SER OG : rot -45:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 2.3 (180deg=2.06) USER MOD Single : A 74 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.77) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 143:sc= 0.168! (180deg=-0.285!) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 1.21 (180deg=0.152) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00351) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 2.08 (180deg=1.81) USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0.922 (180deg=0.799) USER MOD Single : B 1 MET CE :methyl -158:sc= -0.0417 (180deg=-1.42) USER MOD Single : B 1 MET N :NH3+ -179:sc= 1.35 (180deg=1.33) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot -74:sc= 0.699 USER MOD Single : B 15 THR OG1 : rot 155:sc= 1.27 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 73:sc= 1.22 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.00354 USER MOD Single : B 26 GLN : amide:sc= 3.16 K(o=3.2,f=-9.2!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= -0.0435 USER MOD Single : B 34 SER OG : rot 106:sc= 0.892 USER MOD Single : B 36 ASN : amide:sc= 1.05 K(o=1.1,f=-0.66) USER MOD Single : B 39 LYS NZ :NH3+ -141:sc= 1.29 (180deg=0.276) USER MOD Single : B 43 THR OG1 : rot 86:sc= 0.316 USER MOD Single : B 48 HIS : no HE2:sc= 0.387 K(o=0.39,f=-3.4!) USER MOD Single : B 51 LYS NZ :NH3+ -173:sc=-8.37e-05 (180deg=-0.0672) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.2) USER MOD Single : B 60 MET CE :methyl 179:sc= 0 (180deg=-0.000577) USER MOD Single : B 62 SER OG : rot 74:sc= 0.91 USER MOD Single : B 69 SER OG : rot 7:sc= 0.762 USER MOD Single : B 72 LYS NZ :NH3+ 157:sc= 0.266 (180deg=-0.346) USER MOD Single : B 76 TYR OH : rot 20:sc= 1.12 USER MOD Single : B 85 LYS NZ :NH3+ -178:sc= 0.694 (180deg=0.657) USER MOD Single : B 89 LYS NZ :NH3+ -128:sc= 1.5 (180deg=-0.18) USER MOD Single : B 90 LYS NZ :NH3+ 175:sc= 2.05 (180deg=1.82) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.26) USER MOD Single : B 97 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.979) USER MOD Single : B 98 LYS NZ :NH3+ -126:sc= 1.09 (180deg=0.655) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.514 -23.548 -20.981 1.00 4.38 N ATOM 2 CA MET A 1 8.086 -22.565 -21.989 1.00 3.38 C ATOM 3 C MET A 1 8.382 -21.191 -21.390 1.00 2.71 C ATOM 4 O MET A 1 9.184 -21.153 -20.461 1.00 3.05 O ATOM 5 CB MET A 1 6.617 -22.766 -22.398 1.00 3.57 C ATOM 6 CG MET A 1 6.370 -24.120 -23.078 1.00 4.31 C ATOM 7 SD MET A 1 4.684 -24.324 -23.709 1.00 5.20 S ATOM 8 CE MET A 1 4.815 -25.956 -24.473 1.00 6.26 C ATOM 0 H1 MET A 1 9.149 -24.244 -21.422 1.00 4.38 H new ATOM 0 H2 MET A 1 9.016 -23.060 -20.212 1.00 4.38 H new ATOM 0 H3 MET A 1 7.680 -24.036 -20.596 1.00 4.38 H new ATOM 0 HA MET A 1 8.630 -22.681 -22.926 1.00 3.38 H new ATOM 0 HB2 MET A 1 5.984 -22.688 -21.514 1.00 3.57 H new ATOM 0 HB3 MET A 1 6.320 -21.965 -23.075 1.00 3.57 H new ATOM 0 HG2 MET A 1 7.073 -24.236 -23.903 1.00 4.31 H new ATOM 0 HG3 MET A 1 6.580 -24.918 -22.366 1.00 4.31 H new ATOM 0 HE1 MET A 1 3.855 -26.231 -24.911 1.00 6.26 H new ATOM 0 HE2 MET A 1 5.576 -25.933 -25.253 1.00 6.26 H new ATOM 0 HE3 MET A 1 5.093 -26.690 -23.717 1.00 6.26 H new ATOM 20 N ALA A 2 7.781 -20.113 -21.897 1.00 2.51 N ATOM 21 CA ALA A 2 7.956 -18.762 -21.378 1.00 2.39 C ATOM 22 C ALA A 2 6.785 -18.384 -20.473 1.00 2.25 C ATOM 23 O ALA A 2 5.861 -19.173 -20.289 1.00 2.57 O ATOM 24 CB ALA A 2 8.106 -17.798 -22.560 1.00 3.03 C ATOM 0 H ALA A 2 7.148 -20.159 -22.695 1.00 2.51 H new ATOM 0 HA ALA A 2 8.857 -18.705 -20.767 1.00 2.39 H new ATOM 0 HB1 ALA A 2 8.238 -16.782 -22.187 1.00 3.03 H new ATOM 0 HB2 ALA A 2 8.975 -18.082 -23.153 1.00 3.03 H new ATOM 0 HB3 ALA A 2 7.212 -17.843 -23.182 1.00 3.03 H new ATOM 30 N ALA A 3 6.862 -17.167 -19.931 1.00 2.34 N ATOM 31 CA ALA A 3 5.942 -16.564 -18.977 1.00 2.57 C ATOM 32 C ALA A 3 6.236 -17.060 -17.560 1.00 2.09 C ATOM 33 O ALA A 3 5.547 -17.930 -17.034 1.00 2.69 O ATOM 34 CB ALA A 3 4.469 -16.718 -19.385 1.00 3.51 C ATOM 0 H ALA A 3 7.627 -16.535 -20.168 1.00 2.34 H new ATOM 0 HA ALA A 3 6.115 -15.488 -18.984 1.00 2.57 H new ATOM 0 HB1 ALA A 3 3.833 -16.249 -18.635 1.00 3.51 H new ATOM 0 HB2 ALA A 3 4.307 -16.238 -20.350 1.00 3.51 H new ATOM 0 HB3 ALA A 3 4.221 -17.777 -19.460 1.00 3.51 H new ATOM 40 N GLU A 4 7.285 -16.502 -16.952 1.00 1.54 N ATOM 41 CA GLU A 4 7.781 -16.896 -15.657 1.00 1.54 C ATOM 42 C GLU A 4 6.868 -16.312 -14.570 1.00 1.36 C ATOM 43 O GLU A 4 6.685 -15.094 -14.553 1.00 1.34 O ATOM 44 CB GLU A 4 9.221 -16.370 -15.554 1.00 2.03 C ATOM 45 CG GLU A 4 10.017 -17.192 -14.548 1.00 3.30 C ATOM 46 CD GLU A 4 10.374 -18.567 -15.101 1.00 4.44 C ATOM 47 OE1 GLU A 4 11.233 -18.602 -16.009 1.00 4.94 O ATOM 48 OE2 GLU A 4 9.762 -19.551 -14.633 1.00 5.39 O ATOM 0 H GLU A 4 7.820 -15.741 -17.371 1.00 1.54 H new ATOM 0 HA GLU A 4 7.783 -17.978 -15.523 1.00 1.54 H new ATOM 0 HB2 GLU A 4 9.702 -16.415 -16.531 1.00 2.03 H new ATOM 0 HB3 GLU A 4 9.212 -15.323 -15.251 1.00 2.03 H new ATOM 0 HG2 GLU A 4 10.930 -16.658 -14.283 1.00 3.30 H new ATOM 0 HG3 GLU A 4 9.437 -17.307 -13.632 1.00 3.30 H new ATOM 55 N PRO A 5 6.278 -17.130 -13.683 1.00 1.54 N ATOM 56 CA PRO A 5 5.493 -16.622 -12.574 1.00 1.57 C ATOM 57 C PRO A 5 6.434 -15.952 -11.571 1.00 1.30 C ATOM 58 O PRO A 5 7.539 -16.442 -11.334 1.00 1.65 O ATOM 59 CB PRO A 5 4.793 -17.846 -11.978 1.00 2.09 C ATOM 60 CG PRO A 5 5.772 -18.983 -12.273 1.00 2.26 C ATOM 61 CD PRO A 5 6.396 -18.579 -13.611 1.00 1.99 C ATOM 0 HA PRO A 5 4.758 -15.873 -12.869 1.00 1.57 H new ATOM 0 HB2 PRO A 5 4.620 -17.730 -10.908 1.00 2.09 H new ATOM 0 HB3 PRO A 5 3.822 -18.020 -12.441 1.00 2.09 H new ATOM 0 HG2 PRO A 5 6.525 -19.077 -11.491 1.00 2.26 H new ATOM 0 HG3 PRO A 5 5.262 -19.944 -12.342 1.00 2.26 H new ATOM 0 HD2 PRO A 5 7.439 -18.889 -13.665 1.00 1.99 H new ATOM 0 HD3 PRO A 5 5.878 -19.055 -14.444 1.00 1.99 H new ATOM 69 N LEU A 6 6.007 -14.832 -10.996 1.00 0.96 N ATOM 70 CA LEU A 6 6.781 -14.063 -10.036 1.00 0.94 C ATOM 71 C LEU A 6 6.295 -14.419 -8.627 1.00 0.95 C ATOM 72 O LEU A 6 5.366 -15.214 -8.474 1.00 1.02 O ATOM 73 CB LEU A 6 6.621 -12.576 -10.379 1.00 0.98 C ATOM 74 CG LEU A 6 7.060 -12.237 -11.818 1.00 0.91 C ATOM 75 CD1 LEU A 6 6.634 -10.798 -12.136 1.00 1.20 C ATOM 76 CD2 LEU A 6 8.579 -12.362 -11.984 1.00 1.39 C ATOM 0 H LEU A 6 5.091 -14.427 -11.191 1.00 0.96 H new ATOM 0 HA LEU A 6 7.845 -14.295 -10.075 1.00 0.94 H new ATOM 0 HB2 LEU A 6 5.578 -12.289 -10.246 1.00 0.98 H new ATOM 0 HB3 LEU A 6 7.207 -11.982 -9.677 1.00 0.98 H new ATOM 0 HG LEU A 6 6.586 -12.942 -12.501 1.00 0.91 H new ATOM 0 HD11 LEU A 6 6.938 -10.544 -13.151 1.00 1.20 H new ATOM 0 HD12 LEU A 6 5.551 -10.712 -12.050 1.00 1.20 H new ATOM 0 HD13 LEU A 6 7.110 -10.114 -11.433 1.00 1.20 H new ATOM 0 HD21 LEU A 6 8.854 -12.116 -13.010 1.00 1.39 H new ATOM 0 HD22 LEU A 6 9.078 -11.675 -11.300 1.00 1.39 H new ATOM 0 HD23 LEU A 6 8.887 -13.384 -11.761 1.00 1.39 H new ATOM 88 N THR A 7 6.925 -13.886 -7.574 1.00 0.99 N ATOM 89 CA THR A 7 6.461 -14.187 -6.226 1.00 1.05 C ATOM 90 C THR A 7 5.118 -13.499 -5.976 1.00 0.97 C ATOM 91 O THR A 7 4.740 -12.562 -6.677 1.00 1.06 O ATOM 92 CB THR A 7 7.515 -13.834 -5.167 1.00 1.16 C ATOM 93 OG1 THR A 7 7.250 -14.574 -3.994 1.00 1.78 O ATOM 94 CG2 THR A 7 7.505 -12.348 -4.812 1.00 0.87 C ATOM 0 H THR A 7 7.732 -13.264 -7.629 1.00 0.99 H new ATOM 0 HA THR A 7 6.307 -15.263 -6.139 1.00 1.05 H new ATOM 0 HB THR A 7 8.493 -14.077 -5.582 1.00 1.16 H new ATOM 0 HG1 THR A 7 7.774 -14.208 -3.251 1.00 1.78 H new ATOM 0 HG21 THR A 7 8.268 -12.149 -4.059 1.00 0.87 H new ATOM 0 HG22 THR A 7 7.714 -11.759 -5.705 1.00 0.87 H new ATOM 0 HG23 THR A 7 6.526 -12.075 -4.418 1.00 0.87 H new ATOM 102 N GLU A 8 4.398 -13.948 -4.950 1.00 1.08 N ATOM 103 CA GLU A 8 3.029 -13.534 -4.697 1.00 1.06 C ATOM 104 C GLU A 8 2.945 -12.008 -4.569 1.00 0.86 C ATOM 105 O GLU A 8 2.145 -11.346 -5.234 1.00 0.87 O ATOM 106 CB GLU A 8 2.553 -14.272 -3.443 1.00 1.26 C ATOM 107 CG GLU A 8 1.034 -14.255 -3.279 1.00 1.25 C ATOM 108 CD GLU A 8 0.612 -15.152 -2.116 1.00 1.51 C ATOM 109 OE1 GLU A 8 1.467 -15.386 -1.228 1.00 2.02 O ATOM 110 OE2 GLU A 8 -0.553 -15.602 -2.147 1.00 1.93 O ATOM 0 H GLU A 8 4.756 -14.616 -4.267 1.00 1.08 H new ATOM 0 HA GLU A 8 2.372 -13.794 -5.527 1.00 1.06 H new ATOM 0 HB2 GLU A 8 2.897 -15.306 -3.484 1.00 1.26 H new ATOM 0 HB3 GLU A 8 3.013 -13.818 -2.565 1.00 1.26 H new ATOM 0 HG2 GLU A 8 0.693 -13.235 -3.102 1.00 1.25 H new ATOM 0 HG3 GLU A 8 0.559 -14.595 -4.199 1.00 1.25 H new ATOM 117 N LEU A 9 3.815 -11.437 -3.733 1.00 0.76 N ATOM 118 CA LEU A 9 3.886 -9.995 -3.585 1.00 0.68 C ATOM 119 C LEU A 9 4.246 -9.299 -4.907 1.00 0.65 C ATOM 120 O LEU A 9 3.547 -8.355 -5.252 1.00 0.63 O ATOM 121 CB LEU A 9 4.733 -9.592 -2.364 1.00 0.65 C ATOM 122 CG LEU A 9 3.830 -9.507 -1.113 1.00 0.77 C ATOM 123 CD1 LEU A 9 4.602 -9.651 0.200 1.00 1.44 C ATOM 124 CD2 LEU A 9 3.105 -8.157 -1.040 1.00 1.49 C ATOM 0 H LEU A 9 4.475 -11.955 -3.153 1.00 0.76 H new ATOM 0 HA LEU A 9 2.890 -9.617 -3.356 1.00 0.68 H new ATOM 0 HB2 LEU A 9 5.527 -10.321 -2.203 1.00 0.65 H new ATOM 0 HB3 LEU A 9 5.214 -8.631 -2.544 1.00 0.65 H new ATOM 0 HG LEU A 9 3.131 -10.336 -1.222 1.00 0.77 H new ATOM 0 HD11 LEU A 9 3.909 -9.582 1.039 1.00 1.44 H new ATOM 0 HD12 LEU A 9 5.104 -10.618 0.223 1.00 1.44 H new ATOM 0 HD13 LEU A 9 5.343 -8.855 0.275 1.00 1.44 H new ATOM 0 HD21 LEU A 9 2.478 -8.129 -0.149 1.00 1.49 H new ATOM 0 HD22 LEU A 9 3.839 -7.352 -0.993 1.00 1.49 H new ATOM 0 HD23 LEU A 9 2.483 -8.030 -1.926 1.00 1.49 H new ATOM 136 N GLU A 10 5.255 -9.755 -5.669 1.00 0.66 N ATOM 137 CA GLU A 10 5.555 -9.249 -7.014 1.00 0.65 C ATOM 138 C GLU A 10 4.309 -9.207 -7.908 1.00 0.62 C ATOM 139 O GLU A 10 3.982 -8.150 -8.447 1.00 0.63 O ATOM 140 CB GLU A 10 6.669 -10.062 -7.689 1.00 0.74 C ATOM 141 CG GLU A 10 8.051 -9.761 -7.092 1.00 1.03 C ATOM 142 CD GLU A 10 9.139 -10.735 -7.547 1.00 1.20 C ATOM 143 OE1 GLU A 10 8.811 -11.933 -7.709 1.00 2.16 O ATOM 144 OE2 GLU A 10 10.286 -10.266 -7.705 1.00 2.24 O ATOM 0 H GLU A 10 5.890 -10.492 -5.363 1.00 0.66 H new ATOM 0 HA GLU A 10 5.907 -8.225 -6.886 1.00 0.65 H new ATOM 0 HB2 GLU A 10 6.454 -11.126 -7.585 1.00 0.74 H new ATOM 0 HB3 GLU A 10 6.681 -9.842 -8.757 1.00 0.74 H new ATOM 0 HG2 GLU A 10 8.344 -8.748 -7.367 1.00 1.03 H new ATOM 0 HG3 GLU A 10 7.982 -9.789 -6.005 1.00 1.03 H new ATOM 151 N GLU A 11 3.611 -10.339 -8.064 1.00 0.63 N ATOM 152 CA GLU A 11 2.371 -10.400 -8.836 1.00 0.63 C ATOM 153 C GLU A 11 1.424 -9.287 -8.364 1.00 0.61 C ATOM 154 O GLU A 11 0.926 -8.480 -9.156 1.00 0.65 O ATOM 155 CB GLU A 11 1.695 -11.771 -8.658 1.00 0.67 C ATOM 156 CG GLU A 11 2.509 -12.976 -9.163 1.00 1.75 C ATOM 157 CD GLU A 11 2.607 -13.069 -10.685 1.00 2.51 C ATOM 158 OE1 GLU A 11 1.791 -12.403 -11.357 1.00 2.15 O ATOM 159 OE2 GLU A 11 3.493 -13.818 -11.153 1.00 4.04 O ATOM 0 H GLU A 11 3.891 -11.232 -7.659 1.00 0.63 H new ATOM 0 HA GLU A 11 2.602 -10.262 -9.892 1.00 0.63 H new ATOM 0 HB2 GLU A 11 1.480 -11.917 -7.599 1.00 0.67 H new ATOM 0 HB3 GLU A 11 0.738 -11.756 -9.179 1.00 0.67 H new ATOM 0 HG2 GLU A 11 3.515 -12.921 -8.748 1.00 1.75 H new ATOM 0 HG3 GLU A 11 2.057 -13.892 -8.782 1.00 1.75 H new ATOM 166 N SER A 12 1.198 -9.250 -7.047 1.00 0.63 N ATOM 167 CA SER A 12 0.280 -8.317 -6.414 1.00 0.68 C ATOM 168 C SER A 12 0.658 -6.862 -6.722 1.00 0.61 C ATOM 169 O SER A 12 -0.185 -6.078 -7.160 1.00 0.66 O ATOM 170 CB SER A 12 0.215 -8.599 -4.908 1.00 0.85 C ATOM 171 OG SER A 12 -0.874 -7.910 -4.324 1.00 1.64 O ATOM 0 H SER A 12 1.657 -9.879 -6.388 1.00 0.63 H new ATOM 0 HA SER A 12 -0.718 -8.463 -6.827 1.00 0.68 H new ATOM 0 HB2 SER A 12 0.110 -9.670 -4.736 1.00 0.85 H new ATOM 0 HB3 SER A 12 1.146 -8.290 -4.433 1.00 0.85 H new ATOM 0 HG SER A 12 -1.207 -8.417 -3.555 1.00 1.64 H new ATOM 177 N ILE A 13 1.923 -6.480 -6.512 1.00 0.56 N ATOM 178 CA ILE A 13 2.339 -5.114 -6.777 1.00 0.57 C ATOM 179 C ILE A 13 2.269 -4.800 -8.262 1.00 0.57 C ATOM 180 O ILE A 13 1.826 -3.707 -8.603 1.00 0.59 O ATOM 181 CB ILE A 13 3.663 -4.709 -6.099 1.00 0.63 C ATOM 182 CG1 ILE A 13 4.832 -5.679 -6.314 1.00 0.65 C ATOM 183 CG2 ILE A 13 3.378 -4.555 -4.599 1.00 0.65 C ATOM 184 CD1 ILE A 13 5.755 -5.283 -7.457 1.00 0.70 C ATOM 0 H ILE A 13 2.660 -7.093 -6.164 1.00 0.56 H new ATOM 0 HA ILE A 13 1.613 -4.464 -6.287 1.00 0.57 H new ATOM 0 HB ILE A 13 3.993 -3.780 -6.564 1.00 0.63 H new ATOM 0 HG12 ILE A 13 5.414 -5.742 -5.394 1.00 0.65 H new ATOM 0 HG13 ILE A 13 4.435 -6.675 -6.508 1.00 0.65 H new ATOM 0 HG21 ILE A 13 4.294 -4.268 -4.082 1.00 0.65 H new ATOM 0 HG22 ILE A 13 2.621 -3.786 -4.450 1.00 0.65 H new ATOM 0 HG23 ILE A 13 3.017 -5.502 -4.198 1.00 0.65 H new ATOM 0 HD11 ILE A 13 6.557 -6.016 -7.548 1.00 0.70 H new ATOM 0 HD12 ILE A 13 5.188 -5.248 -8.387 1.00 0.70 H new ATOM 0 HD13 ILE A 13 6.182 -4.301 -7.256 1.00 0.70 H new ATOM 196 N GLU A 14 2.637 -5.727 -9.151 1.00 0.58 N ATOM 197 CA GLU A 14 2.546 -5.428 -10.572 1.00 0.58 C ATOM 198 C GLU A 14 1.101 -5.082 -10.941 1.00 0.56 C ATOM 199 O GLU A 14 0.855 -3.985 -11.432 1.00 0.55 O ATOM 200 CB GLU A 14 3.142 -6.536 -11.454 1.00 0.63 C ATOM 201 CG GLU A 14 3.810 -5.918 -12.696 1.00 0.60 C ATOM 202 CD GLU A 14 2.866 -5.070 -13.545 1.00 1.57 C ATOM 203 OE1 GLU A 14 1.811 -5.609 -13.941 1.00 2.73 O ATOM 204 OE2 GLU A 14 3.210 -3.888 -13.771 1.00 2.98 O ATOM 0 H GLU A 14 2.988 -6.656 -8.919 1.00 0.58 H new ATOM 0 HA GLU A 14 3.163 -4.552 -10.774 1.00 0.58 H new ATOM 0 HB2 GLU A 14 3.873 -7.111 -10.886 1.00 0.63 H new ATOM 0 HB3 GLU A 14 2.359 -7.230 -11.759 1.00 0.63 H new ATOM 0 HG2 GLU A 14 4.650 -5.301 -12.376 1.00 0.60 H new ATOM 0 HG3 GLU A 14 4.219 -6.718 -13.313 1.00 0.60 H new ATOM 211 N THR A 15 0.134 -5.965 -10.649 1.00 0.60 N ATOM 212 CA THR A 15 -1.246 -5.745 -11.092 1.00 0.63 C ATOM 213 C THR A 15 -1.794 -4.371 -10.653 1.00 0.61 C ATOM 214 O THR A 15 -2.461 -3.675 -11.423 1.00 0.66 O ATOM 215 CB THR A 15 -2.154 -6.938 -10.742 1.00 0.77 C ATOM 216 OG1 THR A 15 -3.417 -6.768 -11.350 1.00 1.29 O ATOM 217 CG2 THR A 15 -2.361 -7.158 -9.244 1.00 0.97 C ATOM 0 H THR A 15 0.280 -6.823 -10.117 1.00 0.60 H new ATOM 0 HA THR A 15 -1.241 -5.699 -12.181 1.00 0.63 H new ATOM 0 HB THR A 15 -1.637 -7.820 -11.120 1.00 0.77 H new ATOM 0 HG1 THR A 15 -3.993 -7.529 -11.127 1.00 1.29 H new ATOM 0 HG21 THR A 15 -3.013 -8.018 -9.089 1.00 0.97 H new ATOM 0 HG22 THR A 15 -1.398 -7.342 -8.767 1.00 0.97 H new ATOM 0 HG23 THR A 15 -2.820 -6.272 -8.806 1.00 0.97 H new ATOM 225 N VAL A 16 -1.466 -3.922 -9.437 1.00 0.58 N ATOM 226 CA VAL A 16 -1.865 -2.586 -9.000 1.00 0.57 C ATOM 227 C VAL A 16 -1.006 -1.506 -9.668 1.00 0.54 C ATOM 228 O VAL A 16 -1.547 -0.477 -10.067 1.00 0.58 O ATOM 229 CB VAL A 16 -1.951 -2.433 -7.470 1.00 0.59 C ATOM 230 CG1 VAL A 16 -2.916 -3.460 -6.864 1.00 0.62 C ATOM 231 CG2 VAL A 16 -0.598 -2.540 -6.766 1.00 0.64 C ATOM 0 H VAL A 16 -0.934 -4.456 -8.750 1.00 0.58 H new ATOM 0 HA VAL A 16 -2.890 -2.440 -9.341 1.00 0.57 H new ATOM 0 HB VAL A 16 -2.326 -1.423 -7.304 1.00 0.59 H new ATOM 0 HG11 VAL A 16 -2.956 -3.328 -5.783 1.00 0.62 H new ATOM 0 HG12 VAL A 16 -3.911 -3.316 -7.284 1.00 0.62 H new ATOM 0 HG13 VAL A 16 -2.567 -4.467 -7.094 1.00 0.62 H new ATOM 0 HG21 VAL A 16 -0.737 -2.423 -5.691 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -0.158 -3.516 -6.971 1.00 0.64 H new ATOM 0 HG23 VAL A 16 0.066 -1.758 -7.134 1.00 0.64 H new ATOM 241 N VAL A 17 0.307 -1.714 -9.813 1.00 0.51 N ATOM 242 CA VAL A 17 1.207 -0.762 -10.461 1.00 0.50 C ATOM 243 C VAL A 17 0.746 -0.479 -11.891 1.00 0.48 C ATOM 244 O VAL A 17 0.639 0.685 -12.270 1.00 0.50 O ATOM 245 CB VAL A 17 2.676 -1.229 -10.393 1.00 0.51 C ATOM 246 CG1 VAL A 17 3.577 -0.470 -11.379 1.00 0.53 C ATOM 247 CG2 VAL A 17 3.234 -0.995 -8.981 1.00 0.57 C ATOM 0 H VAL A 17 0.776 -2.556 -9.480 1.00 0.51 H new ATOM 0 HA VAL A 17 1.164 0.179 -9.913 1.00 0.50 H new ATOM 0 HB VAL A 17 2.679 -2.287 -10.653 1.00 0.51 H new ATOM 0 HG11 VAL A 17 4.600 -0.835 -11.292 1.00 0.53 H new ATOM 0 HG12 VAL A 17 3.219 -0.630 -12.396 1.00 0.53 H new ATOM 0 HG13 VAL A 17 3.551 0.595 -11.149 1.00 0.53 H new ATOM 0 HG21 VAL A 17 4.271 -1.327 -8.940 1.00 0.57 H new ATOM 0 HG22 VAL A 17 3.183 0.067 -8.741 1.00 0.57 H new ATOM 0 HG23 VAL A 17 2.644 -1.559 -8.259 1.00 0.57 H new ATOM 257 N THR A 18 0.469 -1.507 -12.692 1.00 0.51 N ATOM 258 CA THR A 18 0.010 -1.317 -14.061 1.00 0.57 C ATOM 259 C THR A 18 -1.308 -0.527 -14.083 1.00 0.57 C ATOM 260 O THR A 18 -1.443 0.439 -14.841 1.00 0.59 O ATOM 261 CB THR A 18 -0.027 -2.660 -14.812 1.00 0.64 C ATOM 262 OG1 THR A 18 -0.335 -2.454 -16.174 1.00 0.76 O ATOM 263 CG2 THR A 18 -1.019 -3.664 -14.224 1.00 0.63 C ATOM 0 H THR A 18 0.556 -2.484 -12.411 1.00 0.51 H new ATOM 0 HA THR A 18 0.722 -0.702 -14.611 1.00 0.57 H new ATOM 0 HB THR A 18 0.970 -3.088 -14.703 1.00 0.64 H new ATOM 0 HG1 THR A 18 -0.354 -3.316 -16.639 1.00 0.76 H new ATOM 0 HG21 THR A 18 -0.990 -4.586 -14.804 1.00 0.63 H new ATOM 0 HG22 THR A 18 -0.750 -3.878 -13.189 1.00 0.63 H new ATOM 0 HG23 THR A 18 -2.025 -3.245 -14.259 1.00 0.63 H new ATOM 271 N THR A 19 -2.262 -0.877 -13.210 1.00 0.59 N ATOM 272 CA THR A 19 -3.528 -0.164 -13.094 1.00 0.62 C ATOM 273 C THR A 19 -3.275 1.317 -12.767 1.00 0.59 C ATOM 274 O THR A 19 -3.691 2.207 -13.510 1.00 0.66 O ATOM 275 CB THR A 19 -4.420 -0.876 -12.063 1.00 0.70 C ATOM 276 OG1 THR A 19 -4.583 -2.224 -12.452 1.00 0.78 O ATOM 277 CG2 THR A 19 -5.816 -0.255 -11.982 1.00 0.76 C ATOM 0 H THR A 19 -2.172 -1.664 -12.567 1.00 0.59 H new ATOM 0 HA THR A 19 -4.063 -0.177 -14.043 1.00 0.62 H new ATOM 0 HB THR A 19 -3.933 -0.783 -11.092 1.00 0.70 H new ATOM 0 HG1 THR A 19 -3.841 -2.758 -12.100 1.00 0.78 H new ATOM 0 HG21 THR A 19 -6.410 -0.790 -11.241 1.00 0.76 H new ATOM 0 HG22 THR A 19 -5.732 0.792 -11.692 1.00 0.76 H new ATOM 0 HG23 THR A 19 -6.302 -0.324 -12.955 1.00 0.76 H new ATOM 285 N PHE A 20 -2.555 1.574 -11.671 1.00 0.58 N ATOM 286 CA PHE A 20 -2.078 2.893 -11.274 1.00 0.66 C ATOM 287 C PHE A 20 -1.517 3.639 -12.482 1.00 0.65 C ATOM 288 O PHE A 20 -1.962 4.740 -12.795 1.00 0.70 O ATOM 289 CB PHE A 20 -1.024 2.742 -10.160 1.00 0.79 C ATOM 290 CG PHE A 20 0.070 3.796 -10.139 1.00 1.11 C ATOM 291 CD1 PHE A 20 -0.265 5.153 -9.996 1.00 2.20 C ATOM 292 CD2 PHE A 20 1.396 3.439 -10.460 1.00 2.48 C ATOM 293 CE1 PHE A 20 0.717 6.145 -10.162 1.00 2.84 C ATOM 294 CE2 PHE A 20 2.370 4.431 -10.657 1.00 3.18 C ATOM 295 CZ PHE A 20 2.027 5.785 -10.517 1.00 2.91 C ATOM 0 H PHE A 20 -2.281 0.841 -11.016 1.00 0.58 H new ATOM 0 HA PHE A 20 -2.908 3.482 -10.884 1.00 0.66 H new ATOM 0 HB2 PHE A 20 -1.535 2.757 -9.197 1.00 0.79 H new ATOM 0 HB3 PHE A 20 -0.557 1.762 -10.258 1.00 0.79 H new ATOM 0 HD1 PHE A 20 -1.280 5.435 -9.758 1.00 2.20 H new ATOM 0 HD2 PHE A 20 1.664 2.397 -10.555 1.00 2.48 H new ATOM 0 HE1 PHE A 20 0.464 7.185 -10.016 1.00 2.84 H new ATOM 0 HE2 PHE A 20 3.381 4.153 -10.916 1.00 3.18 H new ATOM 0 HZ PHE A 20 2.771 6.550 -10.682 1.00 2.91 H new ATOM 305 N PHE A 21 -0.542 3.034 -13.157 1.00 0.65 N ATOM 306 CA PHE A 21 0.181 3.640 -14.258 1.00 0.74 C ATOM 307 C PHE A 21 -0.787 4.045 -15.367 1.00 0.78 C ATOM 308 O PHE A 21 -0.793 5.200 -15.792 1.00 0.92 O ATOM 309 CB PHE A 21 1.260 2.666 -14.745 1.00 0.80 C ATOM 310 CG PHE A 21 2.168 3.193 -15.840 1.00 0.98 C ATOM 311 CD1 PHE A 21 2.985 4.314 -15.599 1.00 2.17 C ATOM 312 CD2 PHE A 21 2.284 2.496 -17.057 1.00 2.21 C ATOM 313 CE1 PHE A 21 3.929 4.719 -16.558 1.00 2.57 C ATOM 314 CE2 PHE A 21 3.229 2.901 -18.016 1.00 2.81 C ATOM 315 CZ PHE A 21 4.061 4.006 -17.762 1.00 2.43 C ATOM 0 H PHE A 21 -0.230 2.087 -12.944 1.00 0.65 H new ATOM 0 HA PHE A 21 0.678 4.553 -13.928 1.00 0.74 H new ATOM 0 HB2 PHE A 21 1.876 2.378 -13.893 1.00 0.80 H new ATOM 0 HB3 PHE A 21 0.772 1.761 -15.106 1.00 0.80 H new ATOM 0 HD1 PHE A 21 2.886 4.864 -14.675 1.00 2.17 H new ATOM 0 HD2 PHE A 21 1.645 1.648 -17.255 1.00 2.21 H new ATOM 0 HE1 PHE A 21 4.554 5.579 -16.370 1.00 2.57 H new ATOM 0 HE2 PHE A 21 3.316 2.363 -18.948 1.00 2.81 H new ATOM 0 HZ PHE A 21 4.800 4.306 -18.490 1.00 2.43 H new ATOM 325 N THR A 22 -1.628 3.116 -15.835 1.00 0.74 N ATOM 326 CA THR A 22 -2.531 3.432 -16.932 1.00 0.88 C ATOM 327 C THR A 22 -3.558 4.496 -16.527 1.00 0.83 C ATOM 328 O THR A 22 -3.917 5.330 -17.356 1.00 1.03 O ATOM 329 CB THR A 22 -3.127 2.173 -17.579 1.00 1.03 C ATOM 330 OG1 THR A 22 -3.567 2.480 -18.891 1.00 2.17 O ATOM 331 CG2 THR A 22 -4.287 1.562 -16.792 1.00 1.61 C ATOM 0 H THR A 22 -1.698 2.163 -15.478 1.00 0.74 H new ATOM 0 HA THR A 22 -1.946 3.890 -17.729 1.00 0.88 H new ATOM 0 HB THR A 22 -2.331 1.429 -17.591 1.00 1.03 H new ATOM 0 HG1 THR A 22 -3.946 1.677 -19.305 1.00 2.17 H new ATOM 0 HG21 THR A 22 -4.654 0.677 -17.312 1.00 1.61 H new ATOM 0 HG22 THR A 22 -3.943 1.281 -15.797 1.00 1.61 H new ATOM 0 HG23 THR A 22 -5.092 2.292 -16.705 1.00 1.61 H new ATOM 339 N PHE A 23 -3.997 4.522 -15.261 1.00 0.73 N ATOM 340 CA PHE A 23 -4.773 5.650 -14.754 1.00 0.79 C ATOM 341 C PHE A 23 -3.950 6.941 -14.823 1.00 0.75 C ATOM 342 O PHE A 23 -4.390 7.943 -15.371 1.00 0.83 O ATOM 343 CB PHE A 23 -5.286 5.394 -13.328 1.00 0.85 C ATOM 344 CG PHE A 23 -6.669 4.772 -13.268 1.00 0.93 C ATOM 345 CD1 PHE A 23 -7.804 5.580 -13.467 1.00 1.87 C ATOM 346 CD2 PHE A 23 -6.829 3.403 -12.993 1.00 2.28 C ATOM 347 CE1 PHE A 23 -9.091 5.019 -13.402 1.00 2.21 C ATOM 348 CE2 PHE A 23 -8.117 2.846 -12.901 1.00 2.69 C ATOM 349 CZ PHE A 23 -9.248 3.654 -13.105 1.00 2.10 C ATOM 0 H PHE A 23 -3.828 3.782 -14.580 1.00 0.73 H new ATOM 0 HA PHE A 23 -5.649 5.765 -15.392 1.00 0.79 H new ATOM 0 HB2 PHE A 23 -4.583 4.740 -12.813 1.00 0.85 H new ATOM 0 HB3 PHE A 23 -5.300 6.338 -12.784 1.00 0.85 H new ATOM 0 HD1 PHE A 23 -7.686 6.634 -13.670 1.00 1.87 H new ATOM 0 HD2 PHE A 23 -5.960 2.777 -12.852 1.00 2.28 H new ATOM 0 HE1 PHE A 23 -9.959 5.636 -13.580 1.00 2.21 H new ATOM 0 HE2 PHE A 23 -8.237 1.797 -12.674 1.00 2.69 H new ATOM 0 HZ PHE A 23 -10.237 3.227 -13.034 1.00 2.10 H new ATOM 359 N ALA A 24 -2.729 6.917 -14.294 1.00 0.72 N ATOM 360 CA ALA A 24 -1.828 8.056 -14.183 1.00 0.75 C ATOM 361 C ALA A 24 -1.445 8.625 -15.546 1.00 0.78 C ATOM 362 O ALA A 24 -0.973 9.764 -15.615 1.00 0.83 O ATOM 363 CB ALA A 24 -0.571 7.649 -13.407 1.00 0.87 C ATOM 0 H ALA A 24 -2.324 6.061 -13.914 1.00 0.72 H new ATOM 0 HA ALA A 24 -2.356 8.842 -13.643 1.00 0.75 H new ATOM 0 HB1 ALA A 24 0.100 8.504 -13.327 1.00 0.87 H new ATOM 0 HB2 ALA A 24 -0.852 7.313 -12.409 1.00 0.87 H new ATOM 0 HB3 ALA A 24 -0.065 6.839 -13.933 1.00 0.87 H new ATOM 369 N ARG A 25 -1.612 7.827 -16.605 1.00 0.82 N ATOM 370 CA ARG A 25 -1.374 8.199 -17.989 1.00 0.92 C ATOM 371 C ARG A 25 -2.502 9.069 -18.553 1.00 0.90 C ATOM 372 O ARG A 25 -2.282 9.709 -19.578 1.00 1.04 O ATOM 373 CB ARG A 25 -1.056 6.942 -18.831 1.00 1.12 C ATOM 374 CG ARG A 25 -2.087 6.590 -19.914 1.00 1.37 C ATOM 375 CD ARG A 25 -1.726 5.266 -20.602 1.00 2.32 C ATOM 376 NE ARG A 25 -2.548 5.060 -21.806 1.00 2.88 N ATOM 377 CZ ARG A 25 -3.837 4.679 -21.826 1.00 3.08 C ATOM 378 NH1 ARG A 25 -4.439 4.212 -20.727 1.00 3.80 N ATOM 379 NH2 ARG A 25 -4.526 4.775 -22.969 1.00 3.82 N ATOM 0 H ARG A 25 -1.931 6.863 -16.509 1.00 0.82 H new ATOM 0 HA ARG A 25 -0.491 8.836 -18.040 1.00 0.92 H new ATOM 0 HB2 ARG A 25 -0.087 7.083 -19.309 1.00 1.12 H new ATOM 0 HB3 ARG A 25 -0.958 6.091 -18.157 1.00 1.12 H new ATOM 0 HG2 ARG A 25 -3.078 6.514 -19.467 1.00 1.37 H new ATOM 0 HG3 ARG A 25 -2.131 7.389 -20.654 1.00 1.37 H new ATOM 0 HD2 ARG A 25 -0.670 5.268 -20.873 1.00 2.32 H new ATOM 0 HD3 ARG A 25 -1.875 4.438 -19.909 1.00 2.32 H new ATOM 0 HE ARG A 25 -2.098 5.221 -22.707 1.00 2.88 H new ATOM 0 HH11 ARG A 25 -3.919 4.140 -19.852 1.00 3.80 H new ATOM 0 HH12 ARG A 25 -5.418 3.928 -20.763 1.00 3.80 H new ATOM 0 HH21 ARG A 25 -4.072 5.133 -23.809 1.00 3.82 H new ATOM 0 HH22 ARG A 25 -5.505 4.490 -23.000 1.00 3.82 H new ATOM 393 N GLN A 26 -3.692 9.073 -17.932 1.00 0.81 N ATOM 394 CA GLN A 26 -4.835 9.869 -18.401 1.00 0.83 C ATOM 395 C GLN A 26 -4.433 11.303 -18.758 1.00 0.94 C ATOM 396 O GLN A 26 -4.503 11.720 -19.913 1.00 1.08 O ATOM 397 CB GLN A 26 -5.894 9.970 -17.294 1.00 0.76 C ATOM 398 CG GLN A 26 -7.159 9.138 -17.398 1.00 1.05 C ATOM 399 CD GLN A 26 -6.931 7.646 -17.175 1.00 1.51 C ATOM 400 OE1 GLN A 26 -7.600 7.026 -16.356 1.00 2.60 O ATOM 401 NE2 GLN A 26 -5.979 7.058 -17.896 1.00 2.68 N ATOM 0 H GLN A 26 -3.888 8.526 -17.093 1.00 0.81 H new ATOM 0 HA GLN A 26 -5.220 9.364 -19.287 1.00 0.83 H new ATOM 0 HB2 GLN A 26 -5.409 9.713 -16.352 1.00 0.76 H new ATOM 0 HB3 GLN A 26 -6.194 11.015 -17.222 1.00 0.76 H new ATOM 0 HG2 GLN A 26 -7.882 9.499 -16.667 1.00 1.05 H new ATOM 0 HG3 GLN A 26 -7.601 9.286 -18.383 1.00 1.05 H new ATOM 0 HE21 GLN A 26 -5.440 7.602 -18.570 1.00 2.68 H new ATOM 0 HE22 GLN A 26 -5.789 6.063 -17.775 1.00 2.68 H new ATOM 410 N GLU A 27 -4.096 12.058 -17.718 1.00 0.91 N ATOM 411 CA GLU A 27 -3.824 13.476 -17.758 1.00 1.01 C ATOM 412 C GLU A 27 -2.334 13.654 -17.488 1.00 0.99 C ATOM 413 O GLU A 27 -1.658 12.701 -17.078 1.00 1.43 O ATOM 414 CB GLU A 27 -4.659 14.197 -16.686 1.00 1.11 C ATOM 415 CG GLU A 27 -6.176 13.951 -16.757 1.00 1.17 C ATOM 416 CD GLU A 27 -6.867 14.833 -15.719 1.00 1.62 C ATOM 417 OE1 GLU A 27 -6.761 14.500 -14.517 1.00 2.61 O ATOM 418 OE2 GLU A 27 -7.428 15.867 -16.135 1.00 2.51 O ATOM 0 H GLU A 27 -4.002 11.670 -16.779 1.00 0.91 H new ATOM 0 HA GLU A 27 -4.088 13.901 -18.726 1.00 1.01 H new ATOM 0 HB2 GLU A 27 -4.303 13.887 -15.703 1.00 1.11 H new ATOM 0 HB3 GLU A 27 -4.477 15.269 -16.768 1.00 1.11 H new ATOM 0 HG2 GLU A 27 -6.549 14.180 -17.755 1.00 1.17 H new ATOM 0 HG3 GLU A 27 -6.397 12.901 -16.567 1.00 1.17 H new ATOM 425 N GLY A 28 -1.850 14.890 -17.663 1.00 1.36 N ATOM 426 CA GLY A 28 -0.472 15.337 -17.474 1.00 1.57 C ATOM 427 C GLY A 28 0.369 14.426 -16.577 1.00 1.46 C ATOM 428 O GLY A 28 -0.085 14.013 -15.500 1.00 1.58 O ATOM 0 H GLY A 28 -2.456 15.654 -17.961 1.00 1.36 H new ATOM 0 HA2 GLY A 28 0.010 15.413 -18.449 1.00 1.57 H new ATOM 0 HA3 GLY A 28 -0.483 16.339 -17.045 1.00 1.57 H new ATOM 432 N ARG A 29 1.575 14.081 -17.049 1.00 1.37 N ATOM 433 CA ARG A 29 2.537 13.250 -16.338 1.00 1.30 C ATOM 434 C ARG A 29 2.010 11.825 -16.140 1.00 1.07 C ATOM 435 O ARG A 29 1.132 11.588 -15.301 1.00 0.95 O ATOM 436 CB ARG A 29 2.980 13.917 -15.028 1.00 1.53 C ATOM 437 CG ARG A 29 3.861 15.159 -15.230 1.00 2.06 C ATOM 438 CD ARG A 29 5.231 14.844 -15.849 1.00 2.17 C ATOM 439 NE ARG A 29 5.941 13.801 -15.085 1.00 3.65 N ATOM 440 CZ ARG A 29 7.022 13.955 -14.307 1.00 4.96 C ATOM 441 NH1 ARG A 29 7.504 15.170 -14.021 1.00 5.08 N ATOM 442 NH2 ARG A 29 7.617 12.861 -13.835 1.00 6.66 N ATOM 0 H ARG A 29 1.911 14.385 -17.963 1.00 1.37 H new ATOM 0 HA ARG A 29 3.431 13.156 -16.955 1.00 1.30 H new ATOM 0 HB2 ARG A 29 2.095 14.200 -14.458 1.00 1.53 H new ATOM 0 HB3 ARG A 29 3.526 13.190 -14.428 1.00 1.53 H new ATOM 0 HG2 ARG A 29 3.336 15.867 -15.871 1.00 2.06 H new ATOM 0 HG3 ARG A 29 4.010 15.650 -14.268 1.00 2.06 H new ATOM 0 HD2 ARG A 29 5.099 14.515 -16.880 1.00 2.17 H new ATOM 0 HD3 ARG A 29 5.836 15.750 -15.878 1.00 2.17 H new ATOM 0 HE ARG A 29 5.567 12.855 -15.157 1.00 3.65 H new ATOM 0 HH11 ARG A 29 7.048 16.001 -14.397 1.00 5.08 H new ATOM 0 HH12 ARG A 29 8.328 15.265 -13.427 1.00 5.08 H new ATOM 0 HH21 ARG A 29 7.248 11.939 -14.068 1.00 6.66 H new ATOM 0 HH22 ARG A 29 8.441 12.945 -13.240 1.00 6.66 H new ATOM 456 N LYS A 30 2.507 10.875 -16.944 1.00 1.16 N ATOM 457 CA LYS A 30 2.210 9.451 -16.802 1.00 1.13 C ATOM 458 C LYS A 30 2.931 8.846 -15.591 1.00 1.10 C ATOM 459 O LYS A 30 3.681 7.881 -15.716 1.00 1.35 O ATOM 460 CB LYS A 30 2.462 8.688 -18.113 1.00 1.33 C ATOM 461 CG LYS A 30 3.895 8.772 -18.664 1.00 1.49 C ATOM 462 CD LYS A 30 4.093 7.642 -19.688 1.00 1.81 C ATOM 463 CE LYS A 30 5.519 7.574 -20.252 1.00 2.42 C ATOM 464 NZ LYS A 30 5.841 8.718 -21.131 1.00 3.59 N ATOM 0 H LYS A 30 3.135 11.082 -17.721 1.00 1.16 H new ATOM 0 HA LYS A 30 1.145 9.345 -16.598 1.00 1.13 H new ATOM 0 HB2 LYS A 30 2.213 7.639 -17.956 1.00 1.33 H new ATOM 0 HB3 LYS A 30 1.777 9.068 -18.871 1.00 1.33 H new ATOM 0 HG2 LYS A 30 4.064 9.741 -19.133 1.00 1.49 H new ATOM 0 HG3 LYS A 30 4.618 8.679 -17.854 1.00 1.49 H new ATOM 0 HD2 LYS A 30 3.850 6.689 -19.218 1.00 1.81 H new ATOM 0 HD3 LYS A 30 3.391 7.780 -20.510 1.00 1.81 H new ATOM 0 HE2 LYS A 30 6.230 7.544 -19.427 1.00 2.42 H new ATOM 0 HE3 LYS A 30 5.640 6.646 -20.811 1.00 2.42 H new ATOM 0 HZ1 LYS A 30 6.815 8.622 -21.484 1.00 3.59 H new ATOM 0 HZ2 LYS A 30 5.182 8.734 -21.935 1.00 3.59 H new ATOM 0 HZ3 LYS A 30 5.754 9.604 -20.594 1.00 3.59 H new ATOM 478 N ASP A 31 2.691 9.432 -14.418 1.00 1.12 N ATOM 479 CA ASP A 31 3.316 9.074 -13.158 1.00 1.26 C ATOM 480 C ASP A 31 2.485 9.677 -12.023 1.00 1.23 C ATOM 481 O ASP A 31 2.010 8.946 -11.159 1.00 1.59 O ATOM 482 CB ASP A 31 4.804 9.476 -13.136 1.00 1.55 C ATOM 483 CG ASP A 31 5.072 10.928 -13.499 1.00 2.44 C ATOM 484 OD1 ASP A 31 4.667 11.805 -12.715 1.00 3.64 O ATOM 485 OD2 ASP A 31 5.724 11.179 -14.538 1.00 3.16 O ATOM 0 H ASP A 31 2.027 10.200 -14.323 1.00 1.12 H new ATOM 0 HA ASP A 31 3.326 7.992 -13.023 1.00 1.26 H new ATOM 0 HB2 ASP A 31 5.204 9.284 -12.140 1.00 1.55 H new ATOM 0 HB3 ASP A 31 5.350 8.835 -13.828 1.00 1.55 H new ATOM 490 N SER A 32 2.246 10.987 -12.053 1.00 1.09 N ATOM 491 CA SER A 32 1.394 11.655 -11.084 1.00 1.10 C ATOM 492 C SER A 32 -0.084 11.554 -11.479 1.00 0.92 C ATOM 493 O SER A 32 -0.430 11.503 -12.672 1.00 0.92 O ATOM 494 CB SER A 32 1.827 13.118 -10.951 1.00 1.34 C ATOM 495 OG SER A 32 1.623 13.786 -12.177 1.00 1.80 O ATOM 0 H SER A 32 2.642 11.613 -12.755 1.00 1.09 H new ATOM 0 HA SER A 32 1.503 11.160 -10.119 1.00 1.10 H new ATOM 0 HB2 SER A 32 1.257 13.606 -10.160 1.00 1.34 H new ATOM 0 HB3 SER A 32 2.878 13.172 -10.666 1.00 1.34 H new ATOM 0 HG SER A 32 1.795 14.744 -12.060 1.00 1.80 H new ATOM 501 N LEU A 33 -0.959 11.550 -10.466 1.00 0.85 N ATOM 502 CA LEU A 33 -2.399 11.701 -10.633 1.00 0.78 C ATOM 503 C LEU A 33 -2.740 13.173 -10.399 1.00 0.76 C ATOM 504 O LEU A 33 -2.398 13.714 -9.346 1.00 0.98 O ATOM 505 CB LEU A 33 -3.193 10.825 -9.646 1.00 0.92 C ATOM 506 CG LEU A 33 -3.275 9.323 -9.960 1.00 1.07 C ATOM 507 CD1 LEU A 33 -4.174 9.010 -11.158 1.00 1.82 C ATOM 508 CD2 LEU A 33 -1.894 8.696 -10.131 1.00 1.79 C ATOM 0 H LEU A 33 -0.675 11.439 -9.493 1.00 0.85 H new ATOM 0 HA LEU A 33 -2.675 11.380 -11.637 1.00 0.78 H new ATOM 0 HB2 LEU A 33 -2.750 10.941 -8.657 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -4.209 11.215 -9.588 1.00 0.92 H new ATOM 0 HG LEU A 33 -3.743 8.866 -9.088 1.00 1.07 H new ATOM 0 HD11 LEU A 33 -4.191 7.934 -11.329 1.00 1.82 H new ATOM 0 HD12 LEU A 33 -5.186 9.361 -10.955 1.00 1.82 H new ATOM 0 HD13 LEU A 33 -3.787 9.512 -12.045 1.00 1.82 H new ATOM 0 HD21 LEU A 33 -2.001 7.634 -10.352 1.00 1.79 H new ATOM 0 HD22 LEU A 33 -1.371 9.186 -10.952 1.00 1.79 H new ATOM 0 HD23 LEU A 33 -1.322 8.820 -9.211 1.00 1.79 H new ATOM 520 N SER A 34 -3.428 13.806 -11.353 1.00 0.83 N ATOM 521 CA SER A 34 -4.101 15.081 -11.117 1.00 0.94 C ATOM 522 C SER A 34 -5.474 14.827 -10.483 1.00 0.85 C ATOM 523 O SER A 34 -5.858 13.682 -10.249 1.00 0.79 O ATOM 524 CB SER A 34 -4.223 15.896 -12.409 1.00 1.22 C ATOM 525 OG SER A 34 -4.581 17.228 -12.080 1.00 2.32 O ATOM 0 H SER A 34 -3.532 13.450 -12.303 1.00 0.83 H new ATOM 0 HA SER A 34 -3.500 15.673 -10.426 1.00 0.94 H new ATOM 0 HB2 SER A 34 -3.279 15.883 -12.953 1.00 1.22 H new ATOM 0 HB3 SER A 34 -4.974 15.454 -13.064 1.00 1.22 H new ATOM 0 HG SER A 34 -4.660 17.758 -12.901 1.00 2.32 H new ATOM 531 N VAL A 35 -6.201 15.898 -10.153 1.00 0.93 N ATOM 532 CA VAL A 35 -7.435 15.805 -9.381 1.00 0.93 C ATOM 533 C VAL A 35 -8.492 14.976 -10.111 1.00 0.87 C ATOM 534 O VAL A 35 -9.081 14.069 -9.521 1.00 0.82 O ATOM 535 CB VAL A 35 -7.947 17.200 -8.977 1.00 1.07 C ATOM 536 CG1 VAL A 35 -8.540 18.016 -10.129 1.00 1.89 C ATOM 537 CG2 VAL A 35 -8.988 17.089 -7.855 1.00 2.08 C ATOM 0 H VAL A 35 -5.948 16.851 -10.415 1.00 0.93 H new ATOM 0 HA VAL A 35 -7.214 15.274 -8.455 1.00 0.93 H new ATOM 0 HB VAL A 35 -7.062 17.737 -8.635 1.00 1.07 H new ATOM 0 HG11 VAL A 35 -8.875 18.983 -9.755 1.00 1.89 H new ATOM 0 HG12 VAL A 35 -7.781 18.167 -10.896 1.00 1.89 H new ATOM 0 HG13 VAL A 35 -9.387 17.479 -10.557 1.00 1.89 H new ATOM 0 HG21 VAL A 35 -9.338 18.085 -7.583 1.00 2.08 H new ATOM 0 HG22 VAL A 35 -9.831 16.490 -8.199 1.00 2.08 H new ATOM 0 HG23 VAL A 35 -8.536 16.613 -6.985 1.00 2.08 H new ATOM 547 N ASN A 36 -8.737 15.278 -11.390 1.00 0.94 N ATOM 548 CA ASN A 36 -9.717 14.529 -12.159 1.00 0.94 C ATOM 549 C ASN A 36 -9.240 13.090 -12.269 1.00 0.90 C ATOM 550 O ASN A 36 -9.939 12.202 -11.801 1.00 0.90 O ATOM 551 CB ASN A 36 -9.999 15.162 -13.520 1.00 1.06 C ATOM 552 CG ASN A 36 -10.870 14.219 -14.355 1.00 1.11 C ATOM 553 OD1 ASN A 36 -10.442 13.723 -15.391 1.00 2.32 O ATOM 554 ND2 ASN A 36 -12.078 13.922 -13.878 1.00 2.25 N ATOM 0 H ASN A 36 -8.273 16.027 -11.903 1.00 0.94 H new ATOM 0 HA ASN A 36 -10.676 14.549 -11.641 1.00 0.94 H new ATOM 0 HB2 ASN A 36 -10.504 16.119 -13.389 1.00 1.06 H new ATOM 0 HB3 ASN A 36 -9.062 15.364 -14.040 1.00 1.06 H new ATOM 0 HD21 ASN A 36 -12.676 13.264 -14.378 1.00 2.25 H new ATOM 0 HD22 ASN A 36 -12.405 14.352 -13.013 1.00 2.25 H new ATOM 561 N GLU A 37 -8.013 12.885 -12.754 1.00 0.90 N ATOM 562 CA GLU A 37 -7.326 11.598 -12.790 1.00 0.92 C ATOM 563 C GLU A 37 -7.631 10.764 -11.545 1.00 0.83 C ATOM 564 O GLU A 37 -8.038 9.605 -11.628 1.00 0.88 O ATOM 565 CB GLU A 37 -5.811 11.880 -12.861 1.00 1.01 C ATOM 566 CG GLU A 37 -5.236 11.260 -14.124 1.00 0.80 C ATOM 567 CD GLU A 37 -3.795 11.636 -14.393 1.00 0.81 C ATOM 568 OE1 GLU A 37 -3.145 12.457 -13.709 1.00 1.93 O ATOM 569 OE2 GLU A 37 -3.206 11.111 -15.352 1.00 1.57 O ATOM 0 H GLU A 37 -7.452 13.641 -13.146 1.00 0.90 H new ATOM 0 HA GLU A 37 -7.667 11.031 -13.656 1.00 0.92 H new ATOM 0 HB2 GLU A 37 -5.630 12.955 -12.857 1.00 1.01 H new ATOM 0 HB3 GLU A 37 -5.313 11.469 -11.983 1.00 1.01 H new ATOM 0 HG2 GLU A 37 -5.310 10.175 -14.050 1.00 0.80 H new ATOM 0 HG3 GLU A 37 -5.845 11.564 -14.975 1.00 0.80 H new ATOM 576 N PHE A 38 -7.437 11.379 -10.382 1.00 0.76 N ATOM 577 CA PHE A 38 -7.723 10.762 -9.110 1.00 0.72 C ATOM 578 C PHE A 38 -9.214 10.424 -8.992 1.00 0.73 C ATOM 579 O PHE A 38 -9.568 9.280 -8.701 1.00 0.73 O ATOM 580 CB PHE A 38 -7.247 11.688 -7.987 1.00 0.73 C ATOM 581 CG PHE A 38 -7.044 10.962 -6.680 1.00 0.76 C ATOM 582 CD1 PHE A 38 -8.159 10.515 -5.954 1.00 1.77 C ATOM 583 CD2 PHE A 38 -5.748 10.603 -6.272 1.00 1.94 C ATOM 584 CE1 PHE A 38 -7.982 9.735 -4.802 1.00 2.03 C ATOM 585 CE2 PHE A 38 -5.568 9.848 -5.104 1.00 2.34 C ATOM 586 CZ PHE A 38 -6.687 9.410 -4.378 1.00 1.81 C ATOM 0 H PHE A 38 -7.073 12.329 -10.306 1.00 0.76 H new ATOM 0 HA PHE A 38 -7.184 9.818 -9.027 1.00 0.72 H new ATOM 0 HB2 PHE A 38 -6.311 12.161 -8.284 1.00 0.73 H new ATOM 0 HB3 PHE A 38 -7.977 12.485 -7.845 1.00 0.73 H new ATOM 0 HD1 PHE A 38 -9.155 10.772 -6.283 1.00 1.77 H new ATOM 0 HD2 PHE A 38 -4.893 10.908 -6.857 1.00 1.94 H new ATOM 0 HE1 PHE A 38 -8.839 9.387 -4.245 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -4.572 9.604 -4.764 1.00 2.34 H new ATOM 0 HZ PHE A 38 -6.548 8.818 -3.486 1.00 1.81 H new ATOM 596 N LYS A 39 -10.098 11.408 -9.199 1.00 0.76 N ATOM 597 CA LYS A 39 -11.532 11.207 -9.030 1.00 0.81 C ATOM 598 C LYS A 39 -12.012 10.053 -9.913 1.00 0.81 C ATOM 599 O LYS A 39 -12.802 9.222 -9.469 1.00 0.81 O ATOM 600 CB LYS A 39 -12.339 12.492 -9.254 1.00 0.88 C ATOM 601 CG LYS A 39 -13.821 12.256 -8.892 1.00 0.98 C ATOM 602 CD LYS A 39 -14.661 13.536 -9.030 1.00 1.29 C ATOM 603 CE LYS A 39 -14.618 14.452 -7.795 1.00 2.00 C ATOM 604 NZ LYS A 39 -15.606 14.072 -6.758 1.00 2.51 N ATOM 0 H LYS A 39 -9.838 12.352 -9.485 1.00 0.76 H new ATOM 0 HA LYS A 39 -11.710 10.932 -7.990 1.00 0.81 H new ATOM 0 HB2 LYS A 39 -11.931 13.298 -8.644 1.00 0.88 H new ATOM 0 HB3 LYS A 39 -12.256 12.806 -10.294 1.00 0.88 H new ATOM 0 HG2 LYS A 39 -14.233 11.481 -9.539 1.00 0.98 H new ATOM 0 HG3 LYS A 39 -13.889 11.887 -7.869 1.00 0.98 H new ATOM 0 HD2 LYS A 39 -14.310 14.096 -9.897 1.00 1.29 H new ATOM 0 HD3 LYS A 39 -15.696 13.259 -9.227 1.00 1.29 H new ATOM 0 HE2 LYS A 39 -13.617 14.424 -7.363 1.00 2.00 H new ATOM 0 HE3 LYS A 39 -14.803 15.480 -8.106 1.00 2.00 H new ATOM 0 HZ1 LYS A 39 -15.638 14.807 -6.023 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -16.546 13.976 -7.193 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -15.328 13.166 -6.329 1.00 2.51 H new ATOM 618 N GLU A 40 -11.523 9.982 -11.149 1.00 0.84 N ATOM 619 CA GLU A 40 -11.870 8.918 -12.070 1.00 0.87 C ATOM 620 C GLU A 40 -11.576 7.545 -11.463 1.00 0.81 C ATOM 621 O GLU A 40 -12.348 6.615 -11.673 1.00 0.85 O ATOM 622 CB GLU A 40 -11.141 9.106 -13.405 1.00 0.93 C ATOM 623 CG GLU A 40 -11.507 10.439 -14.080 1.00 1.10 C ATOM 624 CD GLU A 40 -12.959 10.544 -14.529 1.00 2.37 C ATOM 625 OE1 GLU A 40 -13.564 9.481 -14.783 1.00 3.22 O ATOM 626 OE2 GLU A 40 -13.433 11.701 -14.592 1.00 3.30 O ATOM 0 H GLU A 40 -10.873 10.667 -11.535 1.00 0.84 H new ATOM 0 HA GLU A 40 -12.942 8.966 -12.261 1.00 0.87 H new ATOM 0 HB2 GLU A 40 -10.064 9.068 -13.238 1.00 0.93 H new ATOM 0 HB3 GLU A 40 -11.390 8.281 -14.073 1.00 0.93 H new ATOM 0 HG2 GLU A 40 -11.295 11.253 -13.386 1.00 1.10 H new ATOM 0 HG3 GLU A 40 -10.861 10.582 -14.946 1.00 1.10 H new ATOM 633 N LEU A 41 -10.503 7.389 -10.683 1.00 0.77 N ATOM 634 CA LEU A 41 -10.165 6.087 -10.120 1.00 0.75 C ATOM 635 C LEU A 41 -11.212 5.685 -9.088 1.00 0.72 C ATOM 636 O LEU A 41 -11.729 4.568 -9.125 1.00 0.73 O ATOM 637 CB LEU A 41 -8.738 6.110 -9.551 1.00 0.77 C ATOM 638 CG LEU A 41 -8.296 4.747 -8.985 1.00 0.81 C ATOM 639 CD1 LEU A 41 -6.813 4.517 -9.297 1.00 2.50 C ATOM 640 CD2 LEU A 41 -8.496 4.674 -7.465 1.00 2.17 C ATOM 0 H LEU A 41 -9.862 8.141 -10.431 1.00 0.77 H new ATOM 0 HA LEU A 41 -10.177 5.327 -10.901 1.00 0.75 H new ATOM 0 HB2 LEU A 41 -8.045 6.414 -10.335 1.00 0.77 H new ATOM 0 HB3 LEU A 41 -8.678 6.861 -8.764 1.00 0.77 H new ATOM 0 HG LEU A 41 -8.911 3.979 -9.454 1.00 0.81 H new ATOM 0 HD11 LEU A 41 -6.502 3.552 -8.896 1.00 2.50 H new ATOM 0 HD12 LEU A 41 -6.663 4.527 -10.377 1.00 2.50 H new ATOM 0 HD13 LEU A 41 -6.218 5.308 -8.841 1.00 2.50 H new ATOM 0 HD21 LEU A 41 -8.173 3.698 -7.102 1.00 2.17 H new ATOM 0 HD22 LEU A 41 -7.907 5.454 -6.983 1.00 2.17 H new ATOM 0 HD23 LEU A 41 -9.550 4.818 -7.229 1.00 2.17 H new ATOM 652 N VAL A 42 -11.536 6.609 -8.179 1.00 0.72 N ATOM 653 CA VAL A 42 -12.464 6.342 -7.086 1.00 0.75 C ATOM 654 C VAL A 42 -13.866 6.120 -7.650 1.00 0.81 C ATOM 655 O VAL A 42 -14.593 5.233 -7.210 1.00 0.92 O ATOM 656 CB VAL A 42 -12.412 7.441 -6.003 1.00 0.77 C ATOM 657 CG1 VAL A 42 -11.158 7.282 -5.134 1.00 0.77 C ATOM 658 CG2 VAL A 42 -12.457 8.873 -6.515 1.00 0.86 C ATOM 0 H VAL A 42 -11.162 7.558 -8.183 1.00 0.72 H new ATOM 0 HA VAL A 42 -12.161 5.427 -6.577 1.00 0.75 H new ATOM 0 HB VAL A 42 -13.327 7.288 -5.431 1.00 0.77 H new ATOM 0 HG11 VAL A 42 -11.139 8.065 -4.376 1.00 0.77 H new ATOM 0 HG12 VAL A 42 -11.174 6.307 -4.647 1.00 0.77 H new ATOM 0 HG13 VAL A 42 -10.269 7.361 -5.760 1.00 0.77 H new ATOM 0 HG21 VAL A 42 -12.415 9.562 -5.672 1.00 0.86 H new ATOM 0 HG22 VAL A 42 -11.606 9.051 -7.172 1.00 0.86 H new ATOM 0 HG23 VAL A 42 -13.383 9.033 -7.068 1.00 0.86 H new ATOM 668 N THR A 43 -14.226 6.916 -8.652 1.00 0.83 N ATOM 669 CA THR A 43 -15.486 6.808 -9.361 1.00 0.92 C ATOM 670 C THR A 43 -15.584 5.462 -10.090 1.00 0.91 C ATOM 671 O THR A 43 -16.576 4.750 -9.958 1.00 1.01 O ATOM 672 CB THR A 43 -15.571 7.999 -10.323 1.00 1.00 C ATOM 673 OG1 THR A 43 -15.520 9.195 -9.572 1.00 1.05 O ATOM 674 CG2 THR A 43 -16.854 8.004 -11.158 1.00 1.16 C ATOM 0 H THR A 43 -13.632 7.670 -8.998 1.00 0.83 H new ATOM 0 HA THR A 43 -16.329 6.838 -8.671 1.00 0.92 H new ATOM 0 HB THR A 43 -14.731 7.917 -11.013 1.00 1.00 H new ATOM 0 HG1 THR A 43 -14.591 9.387 -9.325 1.00 1.05 H new ATOM 0 HG21 THR A 43 -16.855 8.871 -11.819 1.00 1.16 H new ATOM 0 HG22 THR A 43 -16.903 7.093 -11.755 1.00 1.16 H new ATOM 0 HG23 THR A 43 -17.719 8.051 -10.496 1.00 1.16 H new ATOM 682 N GLN A 44 -14.576 5.137 -10.900 1.00 0.88 N ATOM 683 CA GLN A 44 -14.632 4.037 -11.850 1.00 0.95 C ATOM 684 C GLN A 44 -14.419 2.690 -11.153 1.00 0.96 C ATOM 685 O GLN A 44 -15.214 1.773 -11.333 1.00 1.01 O ATOM 686 CB GLN A 44 -13.580 4.281 -12.941 1.00 1.08 C ATOM 687 CG GLN A 44 -13.700 3.330 -14.137 1.00 1.35 C ATOM 688 CD GLN A 44 -12.415 3.341 -14.958 1.00 1.52 C ATOM 689 OE1 GLN A 44 -11.802 2.302 -15.175 1.00 1.99 O ATOM 690 NE2 GLN A 44 -11.968 4.519 -15.384 1.00 2.04 N ATOM 0 H GLN A 44 -13.689 5.640 -10.911 1.00 0.88 H new ATOM 0 HA GLN A 44 -15.621 3.996 -12.306 1.00 0.95 H new ATOM 0 HB2 GLN A 44 -13.668 5.308 -13.295 1.00 1.08 H new ATOM 0 HB3 GLN A 44 -12.586 4.178 -12.505 1.00 1.08 H new ATOM 0 HG2 GLN A 44 -13.906 2.319 -13.786 1.00 1.35 H new ATOM 0 HG3 GLN A 44 -14.541 3.628 -14.763 1.00 1.35 H new ATOM 0 HE21 GLN A 44 -12.500 5.367 -15.189 1.00 2.04 H new ATOM 0 HE22 GLN A 44 -11.094 4.574 -15.906 1.00 2.04 H new ATOM 699 N GLN A 45 -13.311 2.549 -10.417 1.00 1.02 N ATOM 700 CA GLN A 45 -12.792 1.254 -9.980 1.00 1.34 C ATOM 701 C GLN A 45 -12.724 1.176 -8.452 1.00 1.47 C ATOM 702 O GLN A 45 -11.755 0.659 -7.901 1.00 2.67 O ATOM 703 CB GLN A 45 -11.418 1.032 -10.642 1.00 1.86 C ATOM 704 CG GLN A 45 -11.540 0.525 -12.086 1.00 2.25 C ATOM 705 CD GLN A 45 -11.704 -0.992 -12.130 1.00 2.38 C ATOM 706 OE1 GLN A 45 -12.805 -1.497 -12.323 1.00 3.57 O ATOM 707 NE2 GLN A 45 -10.603 -1.715 -11.936 1.00 2.63 N ATOM 0 H GLN A 45 -12.746 3.340 -10.107 1.00 1.02 H new ATOM 0 HA GLN A 45 -13.464 0.455 -10.292 1.00 1.34 H new ATOM 0 HB2 GLN A 45 -10.858 1.967 -10.634 1.00 1.86 H new ATOM 0 HB3 GLN A 45 -10.846 0.314 -10.054 1.00 1.86 H new ATOM 0 HG2 GLN A 45 -12.394 0.999 -12.569 1.00 2.25 H new ATOM 0 HG3 GLN A 45 -10.654 0.814 -12.651 1.00 2.25 H new ATOM 0 HE21 GLN A 45 -9.709 -1.250 -11.779 1.00 2.63 H new ATOM 0 HE22 GLN A 45 -10.654 -2.734 -11.944 1.00 2.63 H new ATOM 716 N LEU A 46 -13.763 1.652 -7.755 1.00 1.12 N ATOM 717 CA LEU A 46 -13.825 1.574 -6.295 1.00 1.07 C ATOM 718 C LEU A 46 -15.287 1.550 -5.804 1.00 1.16 C ATOM 719 O LEU A 46 -15.728 2.454 -5.096 1.00 1.40 O ATOM 720 CB LEU A 46 -12.971 2.717 -5.714 1.00 1.06 C ATOM 721 CG LEU A 46 -12.068 2.275 -4.555 1.00 0.93 C ATOM 722 CD1 LEU A 46 -10.949 1.330 -5.014 1.00 1.37 C ATOM 723 CD2 LEU A 46 -11.410 3.520 -3.958 1.00 1.57 C ATOM 0 H LEU A 46 -14.575 2.097 -8.184 1.00 1.12 H new ATOM 0 HA LEU A 46 -13.403 0.637 -5.932 1.00 1.07 H new ATOM 0 HB2 LEU A 46 -12.352 3.137 -6.507 1.00 1.06 H new ATOM 0 HB3 LEU A 46 -13.630 3.513 -5.368 1.00 1.06 H new ATOM 0 HG LEU A 46 -12.689 1.746 -3.832 1.00 0.93 H new ATOM 0 HD11 LEU A 46 -10.338 1.046 -4.157 1.00 1.37 H new ATOM 0 HD12 LEU A 46 -11.387 0.437 -5.459 1.00 1.37 H new ATOM 0 HD13 LEU A 46 -10.326 1.835 -5.752 1.00 1.37 H new ATOM 0 HD21 LEU A 46 -10.763 3.228 -3.131 1.00 1.57 H new ATOM 0 HD22 LEU A 46 -10.817 4.021 -4.724 1.00 1.57 H new ATOM 0 HD23 LEU A 46 -12.180 4.199 -3.593 1.00 1.57 H new ATOM 735 N PRO A 47 -16.066 0.531 -6.204 1.00 1.23 N ATOM 736 CA PRO A 47 -17.514 0.513 -6.080 1.00 1.49 C ATOM 737 C PRO A 47 -18.050 0.470 -4.645 1.00 1.59 C ATOM 738 O PRO A 47 -19.042 1.147 -4.377 1.00 2.02 O ATOM 739 CB PRO A 47 -17.988 -0.699 -6.892 1.00 1.67 C ATOM 740 CG PRO A 47 -16.775 -1.627 -6.890 1.00 1.58 C ATOM 741 CD PRO A 47 -15.616 -0.635 -6.941 1.00 1.34 C ATOM 0 HA PRO A 47 -17.909 1.456 -6.457 1.00 1.49 H new ATOM 0 HB2 PRO A 47 -18.857 -1.173 -6.435 1.00 1.67 H new ATOM 0 HB3 PRO A 47 -18.275 -0.416 -7.905 1.00 1.67 H new ATOM 0 HG2 PRO A 47 -16.740 -2.250 -5.996 1.00 1.58 H new ATOM 0 HG3 PRO A 47 -16.774 -2.300 -7.748 1.00 1.58 H new ATOM 0 HD2 PRO A 47 -14.717 -1.059 -6.493 1.00 1.34 H new ATOM 0 HD3 PRO A 47 -15.367 -0.376 -7.970 1.00 1.34 H new ATOM 749 N HIS A 48 -17.491 -0.353 -3.744 1.00 1.46 N ATOM 750 CA HIS A 48 -18.149 -0.636 -2.460 1.00 1.69 C ATOM 751 C HIS A 48 -17.190 -0.506 -1.276 1.00 1.65 C ATOM 752 O HIS A 48 -17.382 -1.137 -0.236 1.00 2.44 O ATOM 753 CB HIS A 48 -18.817 -2.019 -2.523 1.00 2.01 C ATOM 754 CG HIS A 48 -19.909 -2.204 -1.494 1.00 2.36 C ATOM 755 ND1 HIS A 48 -21.134 -1.580 -1.515 1.00 3.29 N ATOM 756 CD2 HIS A 48 -19.853 -2.967 -0.356 1.00 2.93 C ATOM 757 CE1 HIS A 48 -21.803 -1.965 -0.414 1.00 3.46 C ATOM 758 NE2 HIS A 48 -21.066 -2.809 0.329 1.00 3.18 N ATOM 0 H HIS A 48 -16.598 -0.828 -3.878 1.00 1.46 H new ATOM 0 HA HIS A 48 -18.921 0.115 -2.291 1.00 1.69 H new ATOM 0 HB2 HIS A 48 -19.236 -2.167 -3.518 1.00 2.01 H new ATOM 0 HB3 HIS A 48 -18.058 -2.788 -2.379 1.00 2.01 H new ATOM 0 HD2 HIS A 48 -19.022 -3.581 -0.043 1.00 2.93 H new ATOM 0 HE1 HIS A 48 -22.801 -1.639 -0.160 1.00 3.46 H new ATOM 0 HE2 HIS A 48 -21.335 -3.245 1.211 1.00 3.18 H new ATOM 766 N LEU A 49 -16.158 0.323 -1.424 1.00 1.24 N ATOM 767 CA LEU A 49 -15.050 0.365 -0.489 1.00 1.20 C ATOM 768 C LEU A 49 -15.205 1.537 0.486 1.00 1.26 C ATOM 769 O LEU A 49 -15.581 1.321 1.643 1.00 1.58 O ATOM 770 CB LEU A 49 -13.756 0.388 -1.302 1.00 1.17 C ATOM 771 CG LEU A 49 -12.544 -0.073 -0.494 1.00 1.10 C ATOM 772 CD1 LEU A 49 -12.538 -1.590 -0.262 1.00 1.25 C ATOM 773 CD2 LEU A 49 -11.294 0.285 -1.289 1.00 1.21 C ATOM 0 H LEU A 49 -16.072 0.982 -2.198 1.00 1.24 H new ATOM 0 HA LEU A 49 -15.028 -0.520 0.148 1.00 1.20 H new ATOM 0 HB2 LEU A 49 -13.870 -0.253 -2.176 1.00 1.17 H new ATOM 0 HB3 LEU A 49 -13.580 1.399 -1.669 1.00 1.17 H new ATOM 0 HG LEU A 49 -12.577 0.416 0.480 1.00 1.10 H new ATOM 0 HD11 LEU A 49 -11.657 -1.866 0.317 1.00 1.25 H new ATOM 0 HD12 LEU A 49 -13.436 -1.878 0.285 1.00 1.25 H new ATOM 0 HD13 LEU A 49 -12.517 -2.105 -1.223 1.00 1.25 H new ATOM 0 HD21 LEU A 49 -10.409 -0.032 -0.737 1.00 1.21 H new ATOM 0 HD22 LEU A 49 -11.320 -0.220 -2.255 1.00 1.21 H new ATOM 0 HD23 LEU A 49 -11.258 1.363 -1.444 1.00 1.21 H new ATOM 785 N LEU A 50 -14.926 2.761 0.017 1.00 1.25 N ATOM 786 CA LEU A 50 -15.269 4.006 0.694 1.00 1.61 C ATOM 787 C LEU A 50 -16.642 4.472 0.195 1.00 1.74 C ATOM 788 O LEU A 50 -17.267 3.815 -0.636 1.00 3.00 O ATOM 789 CB LEU A 50 -14.235 5.103 0.374 1.00 1.73 C ATOM 790 CG LEU A 50 -12.770 4.749 0.682 1.00 1.51 C ATOM 791 CD1 LEU A 50 -12.001 4.519 -0.621 1.00 1.96 C ATOM 792 CD2 LEU A 50 -12.101 5.897 1.448 1.00 1.26 C ATOM 0 H LEU A 50 -14.442 2.910 -0.869 1.00 1.25 H new ATOM 0 HA LEU A 50 -15.281 3.831 1.770 1.00 1.61 H new ATOM 0 HB2 LEU A 50 -14.314 5.354 -0.684 1.00 1.73 H new ATOM 0 HB3 LEU A 50 -14.499 6.000 0.935 1.00 1.73 H new ATOM 0 HG LEU A 50 -12.755 3.842 1.287 1.00 1.51 H new ATOM 0 HD11 LEU A 50 -10.965 4.269 -0.393 1.00 1.96 H new ATOM 0 HD12 LEU A 50 -12.459 3.699 -1.174 1.00 1.96 H new ATOM 0 HD13 LEU A 50 -12.031 5.425 -1.226 1.00 1.96 H new ATOM 0 HD21 LEU A 50 -11.064 5.637 1.661 1.00 1.26 H new ATOM 0 HD22 LEU A 50 -12.130 6.804 0.844 1.00 1.26 H new ATOM 0 HD23 LEU A 50 -12.632 6.068 2.384 1.00 1.26 H new ATOM 804 N LYS A 51 -17.077 5.648 0.652 1.00 1.59 N ATOM 805 CA LYS A 51 -18.108 6.450 0.015 1.00 1.61 C ATOM 806 C LYS A 51 -17.599 7.902 -0.003 1.00 1.55 C ATOM 807 O LYS A 51 -16.401 8.124 0.152 1.00 2.17 O ATOM 808 CB LYS A 51 -19.424 6.253 0.782 1.00 2.14 C ATOM 809 CG LYS A 51 -19.225 6.496 2.283 1.00 2.61 C ATOM 810 CD LYS A 51 -20.572 6.710 2.974 1.00 3.61 C ATOM 811 CE LYS A 51 -20.388 7.138 4.435 1.00 4.71 C ATOM 812 NZ LYS A 51 -19.836 8.505 4.557 1.00 5.73 N ATOM 0 H LYS A 51 -16.707 6.076 1.501 1.00 1.59 H new ATOM 0 HA LYS A 51 -18.312 6.157 -1.015 1.00 1.61 H new ATOM 0 HB2 LYS A 51 -20.180 6.937 0.396 1.00 2.14 H new ATOM 0 HB3 LYS A 51 -19.796 5.241 0.620 1.00 2.14 H new ATOM 0 HG2 LYS A 51 -18.711 5.645 2.730 1.00 2.61 H new ATOM 0 HG3 LYS A 51 -18.589 7.368 2.435 1.00 2.61 H new ATOM 0 HD2 LYS A 51 -21.141 7.471 2.439 1.00 3.61 H new ATOM 0 HD3 LYS A 51 -21.154 5.789 2.933 1.00 3.61 H new ATOM 0 HE2 LYS A 51 -21.348 7.090 4.949 1.00 4.71 H new ATOM 0 HE3 LYS A 51 -19.723 6.434 4.936 1.00 4.71 H new ATOM 0 HZ1 LYS A 51 -20.098 8.904 5.481 1.00 5.73 H new ATOM 0 HZ2 LYS A 51 -18.800 8.469 4.476 1.00 5.73 H new ATOM 0 HZ3 LYS A 51 -20.222 9.104 3.799 1.00 5.73 H new ATOM 826 N ASP A 52 -18.499 8.879 -0.171 1.00 1.90 N ATOM 827 CA ASP A 52 -18.236 10.316 -0.036 1.00 1.95 C ATOM 828 C ASP A 52 -17.339 10.826 -1.168 1.00 1.82 C ATOM 829 O ASP A 52 -16.649 11.837 -1.037 1.00 2.07 O ATOM 830 CB ASP A 52 -17.674 10.683 1.350 1.00 2.12 C ATOM 831 CG ASP A 52 -18.428 10.052 2.506 1.00 2.80 C ATOM 832 OD1 ASP A 52 -19.681 10.067 2.511 1.00 3.62 O ATOM 833 OD2 ASP A 52 -17.773 9.466 3.396 1.00 3.78 O ATOM 0 H ASP A 52 -19.470 8.681 -0.415 1.00 1.90 H new ATOM 0 HA ASP A 52 -19.196 10.824 -0.122 1.00 1.95 H new ATOM 0 HB2 ASP A 52 -16.629 10.377 1.400 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -17.694 11.767 1.464 1.00 2.12 H new ATOM 838 N VAL A 53 -17.399 10.143 -2.314 1.00 1.56 N ATOM 839 CA VAL A 53 -16.554 10.386 -3.475 1.00 1.37 C ATOM 840 C VAL A 53 -16.850 11.727 -4.161 1.00 1.41 C ATOM 841 O VAL A 53 -16.107 12.149 -5.053 1.00 1.55 O ATOM 842 CB VAL A 53 -16.667 9.198 -4.446 1.00 1.31 C ATOM 843 CG1 VAL A 53 -16.182 7.898 -3.791 1.00 2.02 C ATOM 844 CG2 VAL A 53 -18.088 9.008 -4.994 1.00 1.84 C ATOM 0 H VAL A 53 -18.061 9.381 -2.459 1.00 1.56 H new ATOM 0 HA VAL A 53 -15.522 10.466 -3.133 1.00 1.37 H new ATOM 0 HB VAL A 53 -16.021 9.438 -5.291 1.00 1.31 H new ATOM 0 HG11 VAL A 53 -16.274 7.076 -4.501 1.00 2.02 H new ATOM 0 HG12 VAL A 53 -15.139 8.007 -3.495 1.00 2.02 H new ATOM 0 HG13 VAL A 53 -16.789 7.686 -2.911 1.00 2.02 H new ATOM 0 HG21 VAL A 53 -18.105 8.155 -5.673 1.00 1.84 H new ATOM 0 HG22 VAL A 53 -18.776 8.828 -4.168 1.00 1.84 H new ATOM 0 HG23 VAL A 53 -18.394 9.906 -5.531 1.00 1.84 H new ATOM 854 N GLY A 54 -17.925 12.415 -3.762 1.00 1.55 N ATOM 855 CA GLY A 54 -18.156 13.802 -4.129 1.00 1.77 C ATOM 856 C GLY A 54 -17.006 14.651 -3.592 1.00 1.68 C ATOM 857 O GLY A 54 -16.217 15.189 -4.377 1.00 1.78 O ATOM 0 H GLY A 54 -18.657 12.018 -3.174 1.00 1.55 H new ATOM 0 HA2 GLY A 54 -18.223 13.900 -5.213 1.00 1.77 H new ATOM 0 HA3 GLY A 54 -19.104 14.148 -3.718 1.00 1.77 H new ATOM 861 N SER A 55 -16.895 14.698 -2.259 1.00 1.67 N ATOM 862 CA SER A 55 -15.900 15.383 -1.440 1.00 1.52 C ATOM 863 C SER A 55 -14.520 14.721 -1.554 1.00 1.31 C ATOM 864 O SER A 55 -13.882 14.354 -0.570 1.00 1.26 O ATOM 865 CB SER A 55 -16.436 15.366 0.002 1.00 1.59 C ATOM 866 OG SER A 55 -17.239 14.208 0.203 1.00 2.52 O ATOM 0 H SER A 55 -17.570 14.206 -1.673 1.00 1.67 H new ATOM 0 HA SER A 55 -15.753 16.408 -1.779 1.00 1.52 H new ATOM 0 HB2 SER A 55 -15.606 15.372 0.709 1.00 1.59 H new ATOM 0 HB3 SER A 55 -17.023 16.265 0.192 1.00 1.59 H new ATOM 0 HG SER A 55 -16.807 13.434 -0.215 1.00 2.52 H new ATOM 872 N LEU A 56 -14.053 14.568 -2.789 1.00 1.36 N ATOM 873 CA LEU A 56 -12.779 13.978 -3.125 1.00 1.21 C ATOM 874 C LEU A 56 -11.658 14.968 -2.792 1.00 1.15 C ATOM 875 O LEU A 56 -10.540 14.560 -2.497 1.00 1.09 O ATOM 876 CB LEU A 56 -12.887 13.615 -4.613 1.00 1.24 C ATOM 877 CG LEU A 56 -11.774 12.771 -5.239 1.00 1.04 C ATOM 878 CD1 LEU A 56 -10.656 13.665 -5.780 1.00 0.99 C ATOM 879 CD2 LEU A 56 -11.255 11.720 -4.263 1.00 1.05 C ATOM 0 H LEU A 56 -14.579 14.866 -3.610 1.00 1.36 H new ATOM 0 HA LEU A 56 -12.536 13.081 -2.556 1.00 1.21 H new ATOM 0 HB2 LEU A 56 -13.828 13.084 -4.758 1.00 1.24 H new ATOM 0 HB3 LEU A 56 -12.956 14.545 -5.177 1.00 1.24 H new ATOM 0 HG LEU A 56 -12.193 12.227 -6.086 1.00 1.04 H new ATOM 0 HD11 LEU A 56 -9.875 13.045 -6.220 1.00 0.99 H new ATOM 0 HD12 LEU A 56 -11.060 14.334 -6.540 1.00 0.99 H new ATOM 0 HD13 LEU A 56 -10.235 14.254 -4.965 1.00 0.99 H new ATOM 0 HD21 LEU A 56 -10.466 11.139 -4.740 1.00 1.05 H new ATOM 0 HD22 LEU A 56 -10.857 12.212 -3.376 1.00 1.05 H new ATOM 0 HD23 LEU A 56 -12.071 11.057 -3.975 1.00 1.05 H new ATOM 891 N ASP A 57 -11.966 16.268 -2.801 1.00 1.25 N ATOM 892 CA ASP A 57 -11.050 17.337 -2.440 1.00 1.33 C ATOM 893 C ASP A 57 -10.448 17.106 -1.049 1.00 1.24 C ATOM 894 O ASP A 57 -9.239 17.241 -0.886 1.00 1.25 O ATOM 895 CB ASP A 57 -11.784 18.683 -2.522 1.00 1.63 C ATOM 896 CG ASP A 57 -12.750 18.858 -1.363 1.00 2.85 C ATOM 897 OD1 ASP A 57 -13.544 17.913 -1.149 1.00 3.45 O ATOM 898 OD2 ASP A 57 -12.593 19.878 -0.657 1.00 4.23 O ATOM 0 H ASP A 57 -12.889 16.609 -3.069 1.00 1.25 H new ATOM 0 HA ASP A 57 -10.218 17.348 -3.144 1.00 1.33 H new ATOM 0 HB2 ASP A 57 -11.058 19.496 -2.519 1.00 1.63 H new ATOM 0 HB3 ASP A 57 -12.328 18.746 -3.464 1.00 1.63 H new ATOM 903 N GLU A 58 -11.268 16.755 -0.051 1.00 1.26 N ATOM 904 CA GLU A 58 -10.796 16.390 1.283 1.00 1.28 C ATOM 905 C GLU A 58 -9.688 15.343 1.169 1.00 1.13 C ATOM 906 O GLU A 58 -8.581 15.509 1.688 1.00 1.15 O ATOM 907 CB GLU A 58 -11.968 15.869 2.129 1.00 1.40 C ATOM 908 CG GLU A 58 -11.487 15.210 3.433 1.00 1.69 C ATOM 909 CD GLU A 58 -12.639 14.930 4.387 1.00 2.02 C ATOM 910 OE1 GLU A 58 -13.325 15.910 4.749 1.00 2.87 O ATOM 911 OE2 GLU A 58 -12.805 13.741 4.739 1.00 2.45 O ATOM 0 H GLU A 58 -12.282 16.717 -0.150 1.00 1.26 H new ATOM 0 HA GLU A 58 -10.386 17.270 1.779 1.00 1.28 H new ATOM 0 HB2 GLU A 58 -12.640 16.694 2.366 1.00 1.40 H new ATOM 0 HB3 GLU A 58 -12.542 15.147 1.548 1.00 1.40 H new ATOM 0 HG2 GLU A 58 -10.974 14.277 3.200 1.00 1.69 H new ATOM 0 HG3 GLU A 58 -10.761 15.860 3.922 1.00 1.69 H new ATOM 918 N LYS A 59 -10.004 14.250 0.479 1.00 1.02 N ATOM 919 CA LYS A 59 -9.096 13.138 0.316 1.00 0.94 C ATOM 920 C LYS A 59 -7.808 13.610 -0.366 1.00 0.85 C ATOM 921 O LYS A 59 -6.715 13.324 0.117 1.00 0.83 O ATOM 922 CB LYS A 59 -9.819 12.031 -0.460 1.00 1.02 C ATOM 923 CG LYS A 59 -9.258 10.627 -0.228 1.00 1.59 C ATOM 924 CD LYS A 59 -9.737 9.982 1.081 1.00 1.89 C ATOM 925 CE LYS A 59 -8.971 10.460 2.328 1.00 3.10 C ATOM 926 NZ LYS A 59 -8.715 9.341 3.250 1.00 4.91 N ATOM 0 H LYS A 59 -10.904 14.119 0.018 1.00 1.02 H new ATOM 0 HA LYS A 59 -8.798 12.729 1.281 1.00 0.94 H new ATOM 0 HB2 LYS A 59 -10.873 12.038 -0.182 1.00 1.02 H new ATOM 0 HB3 LYS A 59 -9.768 12.258 -1.525 1.00 1.02 H new ATOM 0 HG2 LYS A 59 -9.543 9.988 -1.064 1.00 1.59 H new ATOM 0 HG3 LYS A 59 -8.169 10.676 -0.222 1.00 1.59 H new ATOM 0 HD2 LYS A 59 -10.797 10.196 1.214 1.00 1.89 H new ATOM 0 HD3 LYS A 59 -9.638 8.900 0.999 1.00 1.89 H new ATOM 0 HE2 LYS A 59 -8.026 10.912 2.028 1.00 3.10 H new ATOM 0 HE3 LYS A 59 -9.546 11.233 2.839 1.00 3.10 H new ATOM 0 HZ1 LYS A 59 -7.793 9.475 3.711 1.00 4.91 H new ATOM 0 HZ2 LYS A 59 -9.462 9.309 3.973 1.00 4.91 H new ATOM 0 HZ3 LYS A 59 -8.709 8.447 2.718 1.00 4.91 H new ATOM 940 N MET A 60 -7.948 14.365 -1.459 1.00 0.90 N ATOM 941 CA MET A 60 -6.852 14.966 -2.203 1.00 0.93 C ATOM 942 C MET A 60 -5.940 15.734 -1.238 1.00 0.95 C ATOM 943 O MET A 60 -4.761 15.413 -1.114 1.00 0.97 O ATOM 944 CB MET A 60 -7.441 15.850 -3.319 1.00 1.07 C ATOM 945 CG MET A 60 -6.461 16.153 -4.458 1.00 0.91 C ATOM 946 SD MET A 60 -4.973 17.103 -4.054 1.00 1.70 S ATOM 947 CE MET A 60 -5.692 18.702 -3.624 1.00 2.04 C ATOM 0 H MET A 60 -8.862 14.578 -1.859 1.00 0.90 H new ATOM 0 HA MET A 60 -6.231 14.208 -2.680 1.00 0.93 H new ATOM 0 HB2 MET A 60 -8.321 15.357 -3.732 1.00 1.07 H new ATOM 0 HB3 MET A 60 -7.778 16.791 -2.883 1.00 1.07 H new ATOM 0 HG2 MET A 60 -6.146 15.204 -4.892 1.00 0.91 H new ATOM 0 HG3 MET A 60 -7.004 16.693 -5.234 1.00 0.91 H new ATOM 0 HE1 MET A 60 -4.894 19.421 -3.438 1.00 2.04 H new ATOM 0 HE2 MET A 60 -6.314 19.055 -4.447 1.00 2.04 H new ATOM 0 HE3 MET A 60 -6.303 18.597 -2.727 1.00 2.04 H new ATOM 957 N LYS A 61 -6.498 16.713 -0.519 1.00 1.02 N ATOM 958 CA LYS A 61 -5.786 17.524 0.462 1.00 1.11 C ATOM 959 C LYS A 61 -5.058 16.639 1.482 1.00 1.06 C ATOM 960 O LYS A 61 -3.910 16.912 1.830 1.00 1.14 O ATOM 961 CB LYS A 61 -6.775 18.460 1.173 1.00 1.22 C ATOM 962 CG LYS A 61 -7.369 19.524 0.238 1.00 1.46 C ATOM 963 CD LYS A 61 -8.695 20.044 0.811 1.00 1.87 C ATOM 964 CE LYS A 61 -9.334 21.087 -0.119 1.00 2.04 C ATOM 965 NZ LYS A 61 -10.726 21.401 0.268 1.00 3.34 N ATOM 0 H LYS A 61 -7.482 16.966 -0.609 1.00 1.02 H new ATOM 0 HA LYS A 61 -5.036 18.121 -0.057 1.00 1.11 H new ATOM 0 HB2 LYS A 61 -7.584 17.868 1.602 1.00 1.22 H new ATOM 0 HB3 LYS A 61 -6.268 18.954 2.002 1.00 1.22 H new ATOM 0 HG2 LYS A 61 -6.666 20.349 0.119 1.00 1.46 H new ATOM 0 HG3 LYS A 61 -7.533 19.099 -0.752 1.00 1.46 H new ATOM 0 HD2 LYS A 61 -9.383 19.211 0.954 1.00 1.87 H new ATOM 0 HD3 LYS A 61 -8.521 20.486 1.792 1.00 1.87 H new ATOM 0 HE2 LYS A 61 -8.739 22.000 -0.102 1.00 2.04 H new ATOM 0 HE3 LYS A 61 -9.318 20.716 -1.144 1.00 2.04 H new ATOM 0 HZ1 LYS A 61 -10.860 22.432 0.277 1.00 3.34 H new ATOM 0 HZ2 LYS A 61 -11.382 20.973 -0.416 1.00 3.34 H new ATOM 0 HZ3 LYS A 61 -10.917 21.019 1.216 1.00 3.34 H new ATOM 979 N SER A 62 -5.733 15.597 1.973 1.00 1.02 N ATOM 980 CA SER A 62 -5.172 14.672 2.950 1.00 1.08 C ATOM 981 C SER A 62 -4.002 13.869 2.369 1.00 1.06 C ATOM 982 O SER A 62 -3.033 13.573 3.073 1.00 1.22 O ATOM 983 CB SER A 62 -6.265 13.724 3.453 1.00 1.14 C ATOM 984 OG SER A 62 -7.369 14.452 3.955 1.00 2.21 O ATOM 0 H SER A 62 -6.690 15.373 1.700 1.00 1.02 H new ATOM 0 HA SER A 62 -4.785 15.259 3.783 1.00 1.08 H new ATOM 0 HB2 SER A 62 -6.591 13.074 2.641 1.00 1.14 H new ATOM 0 HB3 SER A 62 -5.863 13.080 4.235 1.00 1.14 H new ATOM 0 HG SER A 62 -7.874 14.837 3.208 1.00 2.21 H new ATOM 990 N LEU A 63 -4.115 13.459 1.104 1.00 0.96 N ATOM 991 CA LEU A 63 -3.147 12.609 0.422 1.00 0.99 C ATOM 992 C LEU A 63 -1.918 13.397 -0.022 1.00 0.96 C ATOM 993 O LEU A 63 -0.787 12.942 0.173 1.00 0.99 O ATOM 994 CB LEU A 63 -3.802 11.965 -0.798 1.00 1.04 C ATOM 995 CG LEU A 63 -4.748 10.823 -0.417 1.00 1.21 C ATOM 996 CD1 LEU A 63 -5.662 10.578 -1.611 1.00 1.25 C ATOM 997 CD2 LEU A 63 -3.962 9.538 -0.141 1.00 1.72 C ATOM 0 H LEU A 63 -4.905 13.718 0.513 1.00 0.96 H new ATOM 0 HA LEU A 63 -2.822 11.842 1.125 1.00 0.99 H new ATOM 0 HB2 LEU A 63 -4.356 12.723 -1.352 1.00 1.04 H new ATOM 0 HB3 LEU A 63 -3.028 11.585 -1.465 1.00 1.04 H new ATOM 0 HG LEU A 63 -5.307 11.090 0.480 1.00 1.21 H new ATOM 0 HD11 LEU A 63 -6.354 9.768 -1.379 1.00 1.25 H new ATOM 0 HD12 LEU A 63 -6.225 11.485 -1.830 1.00 1.25 H new ATOM 0 HD13 LEU A 63 -5.062 10.305 -2.479 1.00 1.25 H new ATOM 0 HD21 LEU A 63 -4.653 8.739 0.128 1.00 1.72 H new ATOM 0 HD22 LEU A 63 -3.407 9.252 -1.034 1.00 1.72 H new ATOM 0 HD23 LEU A 63 -3.265 9.707 0.680 1.00 1.72 H new ATOM 1009 N ASP A 64 -2.138 14.553 -0.644 1.00 0.99 N ATOM 1010 CA ASP A 64 -1.098 15.316 -1.302 1.00 0.99 C ATOM 1011 C ASP A 64 -0.185 15.968 -0.264 1.00 1.24 C ATOM 1012 O ASP A 64 -0.469 17.065 0.205 1.00 1.53 O ATOM 1013 CB ASP A 64 -1.752 16.337 -2.242 1.00 1.06 C ATOM 1014 CG ASP A 64 -0.754 16.730 -3.295 1.00 1.07 C ATOM 1015 OD1 ASP A 64 0.051 17.669 -3.126 1.00 1.41 O ATOM 1016 OD2 ASP A 64 -0.556 15.959 -4.249 1.00 2.34 O ATOM 0 H ASP A 64 -3.060 14.986 -0.702 1.00 0.99 H new ATOM 0 HA ASP A 64 -0.466 14.663 -1.904 1.00 0.99 H new ATOM 0 HB2 ASP A 64 -2.641 15.909 -2.705 1.00 1.06 H new ATOM 0 HB3 ASP A 64 -2.075 17.214 -1.681 1.00 1.06 H new ATOM 1021 N VAL A 65 0.898 15.288 0.125 1.00 1.35 N ATOM 1022 CA VAL A 65 1.695 15.668 1.288 1.00 1.71 C ATOM 1023 C VAL A 65 2.184 17.115 1.204 1.00 1.65 C ATOM 1024 O VAL A 65 2.239 17.804 2.220 1.00 1.90 O ATOM 1025 CB VAL A 65 2.859 14.687 1.535 1.00 1.94 C ATOM 1026 CG1 VAL A 65 2.352 13.254 1.737 1.00 2.39 C ATOM 1027 CG2 VAL A 65 3.925 14.712 0.431 1.00 1.95 C ATOM 0 H VAL A 65 1.244 14.460 -0.359 1.00 1.35 H new ATOM 0 HA VAL A 65 1.034 15.606 2.152 1.00 1.71 H new ATOM 0 HB VAL A 65 3.338 15.033 2.451 1.00 1.94 H new ATOM 0 HG11 VAL A 65 3.199 12.589 1.909 1.00 2.39 H new ATOM 0 HG12 VAL A 65 1.685 13.222 2.599 1.00 2.39 H new ATOM 0 HG13 VAL A 65 1.811 12.931 0.848 1.00 2.39 H new ATOM 0 HG21 VAL A 65 4.713 13.998 0.670 1.00 1.95 H new ATOM 0 HG22 VAL A 65 3.469 14.443 -0.522 1.00 1.95 H new ATOM 0 HG23 VAL A 65 4.351 15.713 0.360 1.00 1.95 H new ATOM 1037 N ASN A 66 2.547 17.568 0.000 1.00 1.40 N ATOM 1038 CA ASN A 66 3.026 18.927 -0.231 1.00 1.41 C ATOM 1039 C ASN A 66 1.925 19.866 -0.736 1.00 1.44 C ATOM 1040 O ASN A 66 2.203 21.041 -0.951 1.00 1.55 O ATOM 1041 CB ASN A 66 4.242 18.915 -1.169 1.00 1.42 C ATOM 1042 CG ASN A 66 3.909 18.537 -2.609 1.00 1.19 C ATOM 1043 OD1 ASN A 66 2.979 17.774 -2.881 1.00 1.09 O ATOM 1044 ND2 ASN A 66 4.684 19.037 -3.562 1.00 2.19 N ATOM 0 H ASN A 66 2.515 16.996 -0.844 1.00 1.40 H new ATOM 0 HA ASN A 66 3.340 19.329 0.732 1.00 1.41 H new ATOM 0 HB2 ASN A 66 4.705 19.902 -1.161 1.00 1.42 H new ATOM 0 HB3 ASN A 66 4.981 18.213 -0.781 1.00 1.42 H new ATOM 0 HD21 ASN A 66 4.515 18.792 -4.538 1.00 2.19 H new ATOM 0 HD22 ASN A 66 5.449 19.667 -3.319 1.00 2.19 H new ATOM 1051 N GLN A 67 0.697 19.367 -0.924 1.00 1.44 N ATOM 1052 CA GLN A 67 -0.454 20.114 -1.419 1.00 1.53 C ATOM 1053 C GLN A 67 -0.098 20.962 -2.643 1.00 1.49 C ATOM 1054 O GLN A 67 -0.465 22.131 -2.738 1.00 1.65 O ATOM 1055 CB GLN A 67 -1.153 20.867 -0.278 1.00 1.80 C ATOM 1056 CG GLN A 67 -1.643 19.856 0.774 1.00 3.18 C ATOM 1057 CD GLN A 67 -2.594 20.454 1.803 1.00 3.47 C ATOM 1058 OE1 GLN A 67 -2.638 21.663 2.006 1.00 3.47 O ATOM 1059 NE2 GLN A 67 -3.381 19.609 2.464 1.00 4.53 N ATOM 0 H GLN A 67 0.475 18.391 -0.726 1.00 1.44 H new ATOM 0 HA GLN A 67 -1.200 19.413 -1.792 1.00 1.53 H new ATOM 0 HB2 GLN A 67 -0.465 21.579 0.178 1.00 1.80 H new ATOM 0 HB3 GLN A 67 -1.994 21.441 -0.667 1.00 1.80 H new ATOM 0 HG2 GLN A 67 -2.143 19.031 0.267 1.00 3.18 H new ATOM 0 HG3 GLN A 67 -0.780 19.436 1.291 1.00 3.18 H new ATOM 0 HE21 GLN A 67 -3.325 18.608 2.277 1.00 4.53 H new ATOM 0 HE22 GLN A 67 -4.040 19.962 3.158 1.00 4.53 H new ATOM 1068 N ASP A 68 0.570 20.319 -3.607 1.00 1.38 N ATOM 1069 CA ASP A 68 0.805 20.860 -4.947 1.00 1.35 C ATOM 1070 C ASP A 68 -0.324 20.450 -5.903 1.00 1.43 C ATOM 1071 O ASP A 68 -0.418 20.990 -7.001 1.00 1.78 O ATOM 1072 CB ASP A 68 2.196 20.461 -5.484 1.00 1.23 C ATOM 1073 CG ASP A 68 2.370 18.974 -5.735 1.00 1.04 C ATOM 1074 OD1 ASP A 68 1.377 18.230 -5.619 1.00 1.12 O ATOM 1075 OD2 ASP A 68 3.513 18.500 -5.919 1.00 1.14 O ATOM 0 H ASP A 68 0.970 19.390 -3.473 1.00 1.38 H new ATOM 0 HA ASP A 68 0.799 21.948 -4.880 1.00 1.35 H new ATOM 0 HB2 ASP A 68 2.380 20.998 -6.415 1.00 1.23 H new ATOM 0 HB3 ASP A 68 2.954 20.788 -4.772 1.00 1.23 H new ATOM 1080 N SER A 69 -1.168 19.495 -5.489 1.00 1.49 N ATOM 1081 CA SER A 69 -2.272 18.895 -6.239 1.00 1.59 C ATOM 1082 C SER A 69 -1.825 17.987 -7.391 1.00 1.38 C ATOM 1083 O SER A 69 -2.668 17.467 -8.121 1.00 1.63 O ATOM 1084 CB SER A 69 -3.355 19.915 -6.629 1.00 1.97 C ATOM 1085 OG SER A 69 -2.996 20.737 -7.721 1.00 1.57 O ATOM 0 H SER A 69 -1.089 19.095 -4.554 1.00 1.49 H new ATOM 0 HA SER A 69 -2.757 18.213 -5.541 1.00 1.59 H new ATOM 0 HB2 SER A 69 -4.273 19.381 -6.874 1.00 1.97 H new ATOM 0 HB3 SER A 69 -3.574 20.546 -5.768 1.00 1.97 H new ATOM 0 HG SER A 69 -2.078 21.057 -7.601 1.00 1.57 H new ATOM 1091 N GLU A 70 -0.520 17.721 -7.504 1.00 1.08 N ATOM 1092 CA GLU A 70 -0.016 16.581 -8.250 1.00 0.99 C ATOM 1093 C GLU A 70 0.177 15.494 -7.210 1.00 0.89 C ATOM 1094 O GLU A 70 1.111 15.605 -6.412 1.00 0.88 O ATOM 1095 CB GLU A 70 1.371 16.866 -8.848 1.00 1.09 C ATOM 1096 CG GLU A 70 1.411 17.232 -10.334 1.00 1.23 C ATOM 1097 CD GLU A 70 2.762 16.825 -10.908 1.00 1.99 C ATOM 1098 OE1 GLU A 70 3.768 17.067 -10.201 1.00 2.93 O ATOM 1099 OE2 GLU A 70 2.762 16.174 -11.974 1.00 2.73 O ATOM 0 H GLU A 70 0.210 18.293 -7.079 1.00 1.08 H new ATOM 0 HA GLU A 70 -0.699 16.327 -9.061 1.00 0.99 H new ATOM 0 HB2 GLU A 70 1.825 17.680 -8.284 1.00 1.09 H new ATOM 0 HB3 GLU A 70 1.996 15.986 -8.696 1.00 1.09 H new ATOM 0 HG2 GLU A 70 0.607 16.726 -10.868 1.00 1.23 H new ATOM 0 HG3 GLU A 70 1.254 18.303 -10.462 1.00 1.23 H new ATOM 1106 N LEU A 71 -0.595 14.414 -7.249 1.00 0.86 N ATOM 1107 CA LEU A 71 -0.291 13.296 -6.379 1.00 0.82 C ATOM 1108 C LEU A 71 0.826 12.562 -7.109 1.00 0.78 C ATOM 1109 O LEU A 71 0.547 11.800 -8.036 1.00 0.78 O ATOM 1110 CB LEU A 71 -1.502 12.368 -6.215 1.00 0.86 C ATOM 1111 CG LEU A 71 -2.684 12.853 -5.371 1.00 0.95 C ATOM 1112 CD1 LEU A 71 -2.361 12.828 -3.877 1.00 0.99 C ATOM 1113 CD2 LEU A 71 -3.224 14.218 -5.800 1.00 1.01 C ATOM 0 H LEU A 71 -1.408 14.294 -7.853 1.00 0.86 H new ATOM 0 HA LEU A 71 -0.017 13.621 -5.375 1.00 0.82 H new ATOM 0 HB2 LEU A 71 -1.879 12.135 -7.211 1.00 0.86 H new ATOM 0 HB3 LEU A 71 -1.147 11.433 -5.782 1.00 0.86 H new ATOM 0 HG LEU A 71 -3.487 12.140 -5.557 1.00 0.95 H new ATOM 0 HD11 LEU A 71 -3.225 13.179 -3.312 1.00 0.99 H new ATOM 0 HD12 LEU A 71 -2.119 11.809 -3.574 1.00 0.99 H new ATOM 0 HD13 LEU A 71 -1.509 13.478 -3.678 1.00 0.99 H new ATOM 0 HD21 LEU A 71 -4.059 14.497 -5.158 1.00 1.01 H new ATOM 0 HD22 LEU A 71 -2.435 14.965 -5.714 1.00 1.01 H new ATOM 0 HD23 LEU A 71 -3.563 14.166 -6.835 1.00 1.01 H new ATOM 1125 N LYS A 72 2.087 12.827 -6.740 1.00 0.81 N ATOM 1126 CA LYS A 72 3.210 12.052 -7.253 1.00 0.81 C ATOM 1127 C LYS A 72 2.941 10.569 -6.981 1.00 0.63 C ATOM 1128 O LYS A 72 2.190 10.239 -6.067 1.00 0.60 O ATOM 1129 CB LYS A 72 4.530 12.488 -6.584 1.00 1.11 C ATOM 1130 CG LYS A 72 5.540 13.134 -7.540 1.00 1.16 C ATOM 1131 CD LYS A 72 5.102 14.469 -8.180 1.00 1.98 C ATOM 1132 CE LYS A 72 4.698 15.539 -7.150 1.00 3.19 C ATOM 1133 NZ LYS A 72 4.617 16.895 -7.739 1.00 3.90 N ATOM 0 H LYS A 72 2.348 13.570 -6.091 1.00 0.81 H new ATOM 0 HA LYS A 72 3.311 12.223 -8.325 1.00 0.81 H new ATOM 0 HB2 LYS A 72 4.303 13.193 -5.784 1.00 1.11 H new ATOM 0 HB3 LYS A 72 4.993 11.617 -6.119 1.00 1.11 H new ATOM 0 HG2 LYS A 72 6.470 13.301 -6.997 1.00 1.16 H new ATOM 0 HG3 LYS A 72 5.760 12.425 -8.338 1.00 1.16 H new ATOM 0 HD2 LYS A 72 5.917 14.854 -8.792 1.00 1.98 H new ATOM 0 HD3 LYS A 72 4.261 14.284 -8.849 1.00 1.98 H new ATOM 0 HE2 LYS A 72 3.732 15.276 -6.718 1.00 3.19 H new ATOM 0 HE3 LYS A 72 5.421 15.544 -6.334 1.00 3.19 H new ATOM 0 HZ1 LYS A 72 3.941 17.469 -7.196 1.00 3.90 H new ATOM 0 HZ2 LYS A 72 5.555 17.343 -7.708 1.00 3.90 H new ATOM 0 HZ3 LYS A 72 4.299 16.826 -8.727 1.00 3.90 H new ATOM 1147 N PHE A 73 3.594 9.685 -7.736 1.00 0.68 N ATOM 1148 CA PHE A 73 3.453 8.235 -7.635 1.00 0.70 C ATOM 1149 C PHE A 73 3.325 7.771 -6.174 1.00 0.61 C ATOM 1150 O PHE A 73 2.372 7.082 -5.815 1.00 0.63 O ATOM 1151 CB PHE A 73 4.631 7.564 -8.372 1.00 0.86 C ATOM 1152 CG PHE A 73 6.003 8.191 -8.143 1.00 2.13 C ATOM 1153 CD1 PHE A 73 6.772 7.824 -7.025 1.00 3.36 C ATOM 1154 CD2 PHE A 73 6.455 9.230 -8.981 1.00 3.64 C ATOM 1155 CE1 PHE A 73 7.877 8.604 -6.641 1.00 5.20 C ATOM 1156 CE2 PHE A 73 7.585 9.987 -8.620 1.00 5.38 C ATOM 1157 CZ PHE A 73 8.265 9.706 -7.423 1.00 6.01 C ATOM 0 H PHE A 73 4.257 9.969 -8.457 1.00 0.68 H new ATOM 0 HA PHE A 73 2.525 7.928 -8.117 1.00 0.70 H new ATOM 0 HB2 PHE A 73 4.676 6.518 -8.069 1.00 0.86 H new ATOM 0 HB3 PHE A 73 4.421 7.577 -9.441 1.00 0.86 H new ATOM 0 HD1 PHE A 73 6.513 6.941 -6.460 1.00 3.36 H new ATOM 0 HD2 PHE A 73 5.933 9.446 -9.902 1.00 3.64 H new ATOM 0 HE1 PHE A 73 8.428 8.357 -5.745 1.00 5.20 H new ATOM 0 HE2 PHE A 73 7.929 10.784 -9.263 1.00 5.38 H new ATOM 0 HZ PHE A 73 9.083 10.335 -7.105 1.00 6.01 H new ATOM 1167 N ASN A 74 4.263 8.189 -5.319 1.00 0.58 N ATOM 1168 CA ASN A 74 4.282 7.815 -3.910 1.00 0.59 C ATOM 1169 C ASN A 74 3.147 8.477 -3.110 1.00 0.63 C ATOM 1170 O ASN A 74 2.614 7.865 -2.186 1.00 0.78 O ATOM 1171 CB ASN A 74 5.664 8.093 -3.309 1.00 0.62 C ATOM 1172 CG ASN A 74 5.678 7.852 -1.801 1.00 0.88 C ATOM 1173 OD1 ASN A 74 5.977 6.750 -1.352 1.00 1.63 O ATOM 1174 ND2 ASN A 74 5.381 8.877 -1.007 1.00 1.41 N ATOM 0 H ASN A 74 5.033 8.800 -5.591 1.00 0.58 H new ATOM 0 HA ASN A 74 4.096 6.743 -3.843 1.00 0.59 H new ATOM 0 HB2 ASN A 74 6.405 7.453 -3.788 1.00 0.62 H new ATOM 0 HB3 ASN A 74 5.951 9.124 -3.516 1.00 0.62 H new ATOM 0 HD21 ASN A 74 5.398 8.759 0.006 1.00 1.41 H new ATOM 0 HD22 ASN A 74 5.136 9.781 -1.411 1.00 1.41 H new ATOM 1181 N GLU A 75 2.770 9.717 -3.440 1.00 0.57 N ATOM 1182 CA GLU A 75 1.652 10.382 -2.779 1.00 0.62 C ATOM 1183 C GLU A 75 0.360 9.634 -3.100 1.00 0.62 C ATOM 1184 O GLU A 75 -0.392 9.280 -2.198 1.00 0.73 O ATOM 1185 CB GLU A 75 1.522 11.842 -3.226 1.00 0.69 C ATOM 1186 CG GLU A 75 2.746 12.698 -2.899 1.00 0.84 C ATOM 1187 CD GLU A 75 2.501 14.124 -3.355 1.00 0.94 C ATOM 1188 OE1 GLU A 75 2.701 14.443 -4.544 1.00 1.46 O ATOM 1189 OE2 GLU A 75 2.001 14.976 -2.593 1.00 2.15 O ATOM 0 H GLU A 75 3.225 10.277 -4.161 1.00 0.57 H new ATOM 0 HA GLU A 75 1.837 10.374 -1.705 1.00 0.62 H new ATOM 0 HB2 GLU A 75 1.348 11.869 -4.302 1.00 0.69 H new ATOM 0 HB3 GLU A 75 0.645 12.281 -2.750 1.00 0.69 H new ATOM 0 HG2 GLU A 75 2.943 12.676 -1.827 1.00 0.84 H new ATOM 0 HG3 GLU A 75 3.629 12.293 -3.393 1.00 0.84 H new ATOM 1196 N TYR A 76 0.103 9.394 -4.388 1.00 0.58 N ATOM 1197 CA TYR A 76 -1.068 8.656 -4.833 1.00 0.59 C ATOM 1198 C TYR A 76 -1.106 7.286 -4.168 1.00 0.60 C ATOM 1199 O TYR A 76 -2.145 6.911 -3.622 1.00 0.60 O ATOM 1200 CB TYR A 76 -1.066 8.520 -6.365 1.00 0.62 C ATOM 1201 CG TYR A 76 -1.925 7.371 -6.862 1.00 0.79 C ATOM 1202 CD1 TYR A 76 -3.326 7.479 -6.804 1.00 1.70 C ATOM 1203 CD2 TYR A 76 -1.336 6.111 -7.072 1.00 2.37 C ATOM 1204 CE1 TYR A 76 -4.131 6.334 -6.913 1.00 1.91 C ATOM 1205 CE2 TYR A 76 -2.139 4.964 -7.155 1.00 2.97 C ATOM 1206 CZ TYR A 76 -3.536 5.071 -7.064 1.00 2.16 C ATOM 1207 OH TYR A 76 -4.302 3.946 -7.117 1.00 2.99 O ATOM 0 H TYR A 76 0.706 9.709 -5.148 1.00 0.58 H new ATOM 0 HA TYR A 76 -1.963 9.206 -4.543 1.00 0.59 H new ATOM 0 HB2 TYR A 76 -1.423 9.450 -6.807 1.00 0.62 H new ATOM 0 HB3 TYR A 76 -0.042 8.376 -6.710 1.00 0.62 H new ATOM 0 HD1 TYR A 76 -3.785 8.448 -6.675 1.00 1.70 H new ATOM 0 HD2 TYR A 76 -0.264 6.027 -7.169 1.00 2.37 H new ATOM 0 HE1 TYR A 76 -5.207 6.424 -6.881 1.00 1.91 H new ATOM 0 HE2 TYR A 76 -1.681 3.995 -7.289 1.00 2.97 H new ATOM 0 HH TYR A 76 -3.724 3.162 -7.225 1.00 2.99 H new ATOM 1217 N TRP A 77 0.018 6.560 -4.225 1.00 0.64 N ATOM 1218 CA TRP A 77 0.162 5.241 -3.629 1.00 0.68 C ATOM 1219 C TRP A 77 -0.533 5.185 -2.261 1.00 0.66 C ATOM 1220 O TRP A 77 -1.262 4.234 -1.994 1.00 0.68 O ATOM 1221 CB TRP A 77 1.651 4.842 -3.578 1.00 0.76 C ATOM 1222 CG TRP A 77 2.060 4.024 -2.398 1.00 0.68 C ATOM 1223 CD1 TRP A 77 2.540 4.551 -1.252 1.00 1.71 C ATOM 1224 CD2 TRP A 77 1.939 2.591 -2.155 1.00 1.68 C ATOM 1225 NE1 TRP A 77 2.707 3.574 -0.312 1.00 1.74 N ATOM 1226 CE2 TRP A 77 2.352 2.353 -0.812 1.00 1.34 C ATOM 1227 CE3 TRP A 77 1.486 1.469 -2.887 1.00 3.44 C ATOM 1228 CZ2 TRP A 77 2.319 1.094 -0.223 1.00 2.18 C ATOM 1229 CZ3 TRP A 77 1.440 0.196 -2.280 1.00 4.24 C ATOM 1230 CH2 TRP A 77 1.870 0.012 -0.972 1.00 3.61 C ATOM 0 H TRP A 77 0.862 6.885 -4.696 1.00 0.64 H new ATOM 0 HA TRP A 77 -0.339 4.500 -4.252 1.00 0.68 H new ATOM 0 HB2 TRP A 77 1.891 4.285 -4.484 1.00 0.76 H new ATOM 0 HB3 TRP A 77 2.253 5.751 -3.594 1.00 0.76 H new ATOM 0 HD1 TRP A 77 2.761 5.597 -1.100 1.00 1.71 H new ATOM 0 HE1 TRP A 77 3.050 3.734 0.635 1.00 1.74 H new ATOM 0 HE3 TRP A 77 1.174 1.587 -3.914 1.00 3.44 H new ATOM 0 HZ2 TRP A 77 2.637 0.959 0.800 1.00 2.18 H new ATOM 0 HZ3 TRP A 77 1.065 -0.648 -2.841 1.00 4.24 H new ATOM 0 HH2 TRP A 77 1.856 -0.976 -0.535 1.00 3.61 H new ATOM 1241 N ARG A 78 -0.358 6.215 -1.421 1.00 0.68 N ATOM 1242 CA ARG A 78 -0.992 6.303 -0.109 1.00 0.71 C ATOM 1243 C ARG A 78 -2.463 5.875 -0.093 1.00 0.59 C ATOM 1244 O ARG A 78 -2.863 5.189 0.849 1.00 0.61 O ATOM 1245 CB ARG A 78 -0.844 7.708 0.486 1.00 0.86 C ATOM 1246 CG ARG A 78 0.626 8.060 0.756 1.00 1.72 C ATOM 1247 CD ARG A 78 0.791 8.933 2.008 1.00 1.89 C ATOM 1248 NE ARG A 78 0.135 10.246 1.874 1.00 2.05 N ATOM 1249 CZ ARG A 78 -0.610 10.871 2.804 1.00 2.48 C ATOM 1250 NH1 ARG A 78 -1.134 10.208 3.842 1.00 2.77 N ATOM 1251 NH2 ARG A 78 -0.834 12.178 2.682 1.00 3.74 N ATOM 0 H ARG A 78 0.235 7.016 -1.641 1.00 0.68 H new ATOM 0 HA ARG A 78 -0.458 5.585 0.513 1.00 0.71 H new ATOM 0 HB2 ARG A 78 -1.273 8.440 -0.198 1.00 0.86 H new ATOM 0 HB3 ARG A 78 -1.410 7.771 1.416 1.00 0.86 H new ATOM 0 HG2 ARG A 78 1.202 7.142 0.876 1.00 1.72 H new ATOM 0 HG3 ARG A 78 1.037 8.584 -0.107 1.00 1.72 H new ATOM 0 HD2 ARG A 78 0.375 8.409 2.869 1.00 1.89 H new ATOM 0 HD3 ARG A 78 1.853 9.080 2.207 1.00 1.89 H new ATOM 0 HE ARG A 78 0.258 10.731 0.985 1.00 2.05 H new ATOM 0 HH11 ARG A 78 -0.972 9.206 3.941 1.00 2.77 H new ATOM 0 HH12 ARG A 78 -1.695 10.705 4.534 1.00 2.77 H new ATOM 0 HH21 ARG A 78 -0.443 12.691 1.892 1.00 3.74 H new ATOM 0 HH22 ARG A 78 -1.397 12.666 3.379 1.00 3.74 H new ATOM 1265 N LEU A 79 -3.261 6.236 -1.107 1.00 0.54 N ATOM 1266 CA LEU A 79 -4.641 5.794 -1.223 1.00 0.55 C ATOM 1267 C LEU A 79 -4.761 4.302 -0.965 1.00 0.60 C ATOM 1268 O LEU A 79 -5.580 3.888 -0.152 1.00 0.68 O ATOM 1269 CB LEU A 79 -5.171 6.090 -2.633 1.00 0.55 C ATOM 1270 CG LEU A 79 -6.642 5.659 -2.779 1.00 0.63 C ATOM 1271 CD1 LEU A 79 -7.507 6.484 -1.822 1.00 0.91 C ATOM 1272 CD2 LEU A 79 -7.103 5.783 -4.234 1.00 0.62 C ATOM 0 H LEU A 79 -2.959 6.845 -1.868 1.00 0.54 H new ATOM 0 HA LEU A 79 -5.226 6.334 -0.478 1.00 0.55 H new ATOM 0 HB2 LEU A 79 -5.080 7.156 -2.842 1.00 0.55 H new ATOM 0 HB3 LEU A 79 -4.562 5.567 -3.370 1.00 0.55 H new ATOM 0 HG LEU A 79 -6.746 4.608 -2.510 1.00 0.63 H new ATOM 0 HD11 LEU A 79 -8.550 6.182 -1.922 1.00 0.91 H new ATOM 0 HD12 LEU A 79 -7.177 6.316 -0.797 1.00 0.91 H new ATOM 0 HD13 LEU A 79 -7.411 7.542 -2.065 1.00 0.91 H new ATOM 0 HD21 LEU A 79 -8.145 5.473 -4.313 1.00 0.62 H new ATOM 0 HD22 LEU A 79 -7.007 6.819 -4.559 1.00 0.62 H new ATOM 0 HD23 LEU A 79 -6.486 5.145 -4.867 1.00 0.62 H new ATOM 1284 N ILE A 80 -3.944 3.500 -1.653 1.00 0.63 N ATOM 1285 CA ILE A 80 -3.982 2.052 -1.610 1.00 0.72 C ATOM 1286 C ILE A 80 -3.797 1.619 -0.144 1.00 0.82 C ATOM 1287 O ILE A 80 -4.329 0.605 0.306 1.00 0.85 O ATOM 1288 CB ILE A 80 -2.929 1.523 -2.609 1.00 0.76 C ATOM 1289 CG1 ILE A 80 -3.203 2.044 -4.036 1.00 0.82 C ATOM 1290 CG2 ILE A 80 -2.946 -0.016 -2.643 1.00 0.90 C ATOM 1291 CD1 ILE A 80 -2.060 1.714 -5.001 1.00 1.43 C ATOM 0 H ILE A 80 -3.218 3.861 -2.272 1.00 0.63 H new ATOM 0 HA ILE A 80 -4.932 1.621 -1.926 1.00 0.72 H new ATOM 0 HB ILE A 80 -1.956 1.881 -2.274 1.00 0.76 H new ATOM 0 HG12 ILE A 80 -4.129 1.607 -4.409 1.00 0.82 H new ATOM 0 HG13 ILE A 80 -3.350 3.124 -4.005 1.00 0.82 H new ATOM 0 HG21 ILE A 80 -2.198 -0.373 -3.352 1.00 0.90 H new ATOM 0 HG22 ILE A 80 -2.719 -0.404 -1.650 1.00 0.90 H new ATOM 0 HG23 ILE A 80 -3.932 -0.362 -2.951 1.00 0.90 H new ATOM 0 HD11 ILE A 80 -2.298 2.100 -5.992 1.00 1.43 H new ATOM 0 HD12 ILE A 80 -1.138 2.173 -4.644 1.00 1.43 H new ATOM 0 HD13 ILE A 80 -1.930 0.633 -5.054 1.00 1.43 H new ATOM 1303 N GLY A 81 -3.083 2.439 0.631 1.00 0.93 N ATOM 1304 CA GLY A 81 -2.790 2.181 2.017 1.00 1.03 C ATOM 1305 C GLY A 81 -4.002 2.475 2.851 1.00 1.00 C ATOM 1306 O GLY A 81 -4.394 1.653 3.675 1.00 1.15 O ATOM 0 H GLY A 81 -2.690 3.317 0.292 1.00 0.93 H new ATOM 0 HA2 GLY A 81 -2.489 1.142 2.148 1.00 1.03 H new ATOM 0 HA3 GLY A 81 -1.953 2.798 2.343 1.00 1.03 H new ATOM 1310 N GLU A 82 -4.600 3.649 2.631 1.00 0.91 N ATOM 1311 CA GLU A 82 -5.888 3.926 3.222 1.00 0.95 C ATOM 1312 C GLU A 82 -6.803 2.740 2.951 1.00 0.95 C ATOM 1313 O GLU A 82 -7.296 2.177 3.906 1.00 1.08 O ATOM 1314 CB GLU A 82 -6.509 5.222 2.720 1.00 0.96 C ATOM 1315 CG GLU A 82 -5.580 6.428 2.799 1.00 1.15 C ATOM 1316 CD GLU A 82 -6.386 7.707 2.690 1.00 2.48 C ATOM 1317 OE1 GLU A 82 -7.261 7.766 1.798 1.00 4.14 O ATOM 1318 OE2 GLU A 82 -6.273 8.586 3.574 1.00 2.64 O ATOM 0 H GLU A 82 -4.214 4.400 2.059 1.00 0.91 H new ATOM 0 HA GLU A 82 -5.751 4.066 4.294 1.00 0.95 H new ATOM 0 HB2 GLU A 82 -6.822 5.085 1.685 1.00 0.96 H new ATOM 0 HB3 GLU A 82 -7.408 5.430 3.300 1.00 0.96 H new ATOM 0 HG2 GLU A 82 -5.030 6.413 3.740 1.00 1.15 H new ATOM 0 HG3 GLU A 82 -4.842 6.383 1.998 1.00 1.15 H new ATOM 1325 N LEU A 83 -6.961 2.287 1.703 1.00 0.89 N ATOM 1326 CA LEU A 83 -7.804 1.133 1.391 1.00 0.90 C ATOM 1327 C LEU A 83 -7.488 -0.062 2.298 1.00 0.90 C ATOM 1328 O LEU A 83 -8.381 -0.616 2.945 1.00 0.94 O ATOM 1329 CB LEU A 83 -7.641 0.691 -0.066 1.00 1.08 C ATOM 1330 CG LEU A 83 -7.780 1.766 -1.150 1.00 0.95 C ATOM 1331 CD1 LEU A 83 -7.995 1.081 -2.502 1.00 1.39 C ATOM 1332 CD2 LEU A 83 -8.833 2.830 -0.844 1.00 2.47 C ATOM 0 H LEU A 83 -6.512 2.707 0.889 1.00 0.89 H new ATOM 0 HA LEU A 83 -8.831 1.456 1.560 1.00 0.90 H new ATOM 0 HB2 LEU A 83 -6.658 0.233 -0.171 1.00 1.08 H new ATOM 0 HB3 LEU A 83 -8.378 -0.086 -0.266 1.00 1.08 H new ATOM 0 HG LEU A 83 -6.851 2.335 -1.180 1.00 0.95 H new ATOM 0 HD11 LEU A 83 -8.095 1.837 -3.281 1.00 1.39 H new ATOM 0 HD12 LEU A 83 -7.142 0.441 -2.725 1.00 1.39 H new ATOM 0 HD13 LEU A 83 -8.902 0.477 -2.464 1.00 1.39 H new ATOM 0 HD21 LEU A 83 -8.868 3.552 -1.660 1.00 2.47 H new ATOM 0 HD22 LEU A 83 -9.809 2.356 -0.737 1.00 2.47 H new ATOM 0 HD23 LEU A 83 -8.574 3.342 0.083 1.00 2.47 H new ATOM 1344 N ALA A 84 -6.203 -0.435 2.354 1.00 0.88 N ATOM 1345 CA ALA A 84 -5.700 -1.494 3.223 1.00 0.96 C ATOM 1346 C ALA A 84 -6.032 -1.244 4.703 1.00 1.01 C ATOM 1347 O ALA A 84 -6.050 -2.186 5.493 1.00 1.22 O ATOM 1348 CB ALA A 84 -4.194 -1.669 3.007 1.00 0.96 C ATOM 0 H ALA A 84 -5.476 0.001 1.786 1.00 0.88 H new ATOM 0 HA ALA A 84 -6.206 -2.421 2.952 1.00 0.96 H new ATOM 0 HB1 ALA A 84 -3.823 -2.461 3.658 1.00 0.96 H new ATOM 0 HB2 ALA A 84 -4.004 -1.935 1.967 1.00 0.96 H new ATOM 0 HB3 ALA A 84 -3.682 -0.736 3.242 1.00 0.96 H new ATOM 1354 N LYS A 85 -6.306 0.006 5.084 1.00 0.97 N ATOM 1355 CA LYS A 85 -6.982 0.347 6.324 1.00 1.07 C ATOM 1356 C LYS A 85 -8.502 0.193 6.237 1.00 1.01 C ATOM 1357 O LYS A 85 -9.035 -0.577 7.020 1.00 1.03 O ATOM 1358 CB LYS A 85 -6.626 1.769 6.775 1.00 1.33 C ATOM 1359 CG LYS A 85 -5.881 1.742 8.103 1.00 0.94 C ATOM 1360 CD LYS A 85 -4.481 1.169 8.004 1.00 2.27 C ATOM 1361 CE LYS A 85 -3.600 1.866 6.970 1.00 1.85 C ATOM 1362 NZ LYS A 85 -3.494 3.322 7.159 1.00 1.86 N ATOM 0 H LYS A 85 -6.056 0.821 4.523 1.00 0.97 H new ATOM 0 HA LYS A 85 -6.625 -0.366 7.067 1.00 1.07 H new ATOM 0 HB2 LYS A 85 -6.010 2.253 6.017 1.00 1.33 H new ATOM 0 HB3 LYS A 85 -7.535 2.363 6.874 1.00 1.33 H new ATOM 0 HG2 LYS A 85 -5.822 2.757 8.497 1.00 0.94 H new ATOM 0 HG3 LYS A 85 -6.455 1.154 8.820 1.00 0.94 H new ATOM 0 HD2 LYS A 85 -4.001 1.236 8.980 1.00 2.27 H new ATOM 0 HD3 LYS A 85 -4.549 0.110 7.755 1.00 2.27 H new ATOM 0 HE2 LYS A 85 -2.601 1.431 7.007 1.00 1.85 H new ATOM 0 HE3 LYS A 85 -3.998 1.667 5.975 1.00 1.85 H new ATOM 0 HZ1 LYS A 85 -2.649 3.676 6.666 1.00 1.86 H new ATOM 0 HZ2 LYS A 85 -4.341 3.785 6.771 1.00 1.86 H new ATOM 0 HZ3 LYS A 85 -3.417 3.536 8.174 1.00 1.86 H new ATOM 1376 N GLU A 86 -9.204 0.927 5.364 1.00 1.02 N ATOM 1377 CA GLU A 86 -10.656 1.099 5.363 1.00 1.05 C ATOM 1378 C GLU A 86 -11.394 -0.239 5.327 1.00 1.05 C ATOM 1379 O GLU A 86 -12.457 -0.372 5.930 1.00 1.17 O ATOM 1380 CB GLU A 86 -11.112 1.985 4.187 1.00 1.07 C ATOM 1381 CG GLU A 86 -10.358 3.317 4.038 1.00 1.03 C ATOM 1382 CD GLU A 86 -10.275 4.097 5.340 1.00 1.41 C ATOM 1383 OE1 GLU A 86 -11.239 4.808 5.692 1.00 1.95 O ATOM 1384 OE2 GLU A 86 -9.265 3.953 6.064 1.00 2.93 O ATOM 0 H GLU A 86 -8.751 1.439 4.606 1.00 1.02 H new ATOM 0 HA GLU A 86 -10.911 1.597 6.298 1.00 1.05 H new ATOM 0 HB2 GLU A 86 -11.002 1.418 3.262 1.00 1.07 H new ATOM 0 HB3 GLU A 86 -12.174 2.199 4.305 1.00 1.07 H new ATOM 0 HG2 GLU A 86 -9.350 3.120 3.673 1.00 1.03 H new ATOM 0 HG3 GLU A 86 -10.855 3.928 3.285 1.00 1.03 H new ATOM 1391 N ILE A 87 -10.814 -1.230 4.639 1.00 1.00 N ATOM 1392 CA ILE A 87 -11.214 -2.636 4.702 1.00 0.98 C ATOM 1393 C ILE A 87 -11.606 -3.049 6.140 1.00 1.15 C ATOM 1394 O ILE A 87 -12.605 -3.729 6.376 1.00 1.32 O ATOM 1395 CB ILE A 87 -10.047 -3.478 4.130 1.00 0.96 C ATOM 1396 CG1 ILE A 87 -10.397 -4.962 3.960 1.00 1.22 C ATOM 1397 CG2 ILE A 87 -8.770 -3.358 4.964 1.00 1.34 C ATOM 1398 CD1 ILE A 87 -10.906 -5.219 2.549 1.00 1.04 C ATOM 0 H ILE A 87 -10.031 -1.068 4.006 1.00 1.00 H new ATOM 0 HA ILE A 87 -12.108 -2.810 4.104 1.00 0.98 H new ATOM 0 HB ILE A 87 -9.866 -3.054 3.142 1.00 0.96 H new ATOM 0 HG12 ILE A 87 -9.518 -5.576 4.156 1.00 1.22 H new ATOM 0 HG13 ILE A 87 -11.156 -5.251 4.687 1.00 1.22 H new ATOM 0 HG21 ILE A 87 -7.985 -3.968 4.517 1.00 1.34 H new ATOM 0 HG22 ILE A 87 -8.449 -2.317 4.990 1.00 1.34 H new ATOM 0 HG23 ILE A 87 -8.965 -3.703 5.979 1.00 1.34 H new ATOM 0 HD11 ILE A 87 -11.152 -6.275 2.438 1.00 1.04 H new ATOM 0 HD12 ILE A 87 -11.797 -4.618 2.369 1.00 1.04 H new ATOM 0 HD13 ILE A 87 -10.134 -4.948 1.829 1.00 1.04 H new ATOM 1410 N ARG A 88 -10.794 -2.628 7.111 1.00 1.21 N ATOM 1411 CA ARG A 88 -10.951 -2.845 8.538 1.00 1.42 C ATOM 1412 C ARG A 88 -11.431 -1.565 9.230 1.00 1.44 C ATOM 1413 O ARG A 88 -12.482 -1.600 9.868 1.00 1.95 O ATOM 1414 CB ARG A 88 -9.637 -3.395 9.112 1.00 1.61 C ATOM 1415 CG ARG A 88 -9.535 -4.883 8.744 1.00 2.23 C ATOM 1416 CD ARG A 88 -8.098 -5.425 8.740 1.00 2.84 C ATOM 1417 NE ARG A 88 -8.061 -6.880 8.481 1.00 4.47 N ATOM 1418 CZ ARG A 88 -8.450 -7.480 7.341 1.00 6.13 C ATOM 1419 NH1 ARG A 88 -8.808 -6.758 6.284 1.00 6.87 N ATOM 1420 NH2 ARG A 88 -8.511 -8.808 7.228 1.00 7.62 N ATOM 0 H ARG A 88 -9.954 -2.090 6.900 1.00 1.21 H new ATOM 0 HA ARG A 88 -11.724 -3.590 8.725 1.00 1.42 H new ATOM 0 HB2 ARG A 88 -8.787 -2.845 8.709 1.00 1.61 H new ATOM 0 HB3 ARG A 88 -9.613 -3.269 10.194 1.00 1.61 H new ATOM 0 HG2 ARG A 88 -10.130 -5.463 9.449 1.00 2.23 H new ATOM 0 HG3 ARG A 88 -9.973 -5.034 7.757 1.00 2.23 H new ATOM 0 HD2 ARG A 88 -7.516 -4.905 7.979 1.00 2.84 H new ATOM 0 HD3 ARG A 88 -7.627 -5.215 9.700 1.00 2.84 H new ATOM 0 HE ARG A 88 -7.711 -7.479 9.229 1.00 4.47 H new ATOM 0 HH11 ARG A 88 -8.789 -5.739 6.332 1.00 6.87 H new ATOM 0 HH12 ARG A 88 -9.101 -7.223 5.425 1.00 6.87 H new ATOM 0 HH21 ARG A 88 -8.259 -9.399 8.020 1.00 7.62 H new ATOM 0 HH22 ARG A 88 -8.810 -9.232 6.350 1.00 7.62 H new ATOM 1434 N LYS A 89 -10.688 -0.457 9.130 1.00 1.12 N ATOM 1435 CA LYS A 89 -10.947 0.796 9.802 1.00 1.20 C ATOM 1436 C LYS A 89 -12.157 1.551 9.213 1.00 1.70 C ATOM 1437 O LYS A 89 -12.018 2.701 8.786 1.00 2.54 O ATOM 1438 CB LYS A 89 -9.658 1.595 9.601 1.00 1.02 C ATOM 1439 CG LYS A 89 -9.585 2.869 10.433 1.00 1.30 C ATOM 1440 CD LYS A 89 -8.710 3.875 9.684 1.00 1.30 C ATOM 1441 CE LYS A 89 -9.490 5.144 9.316 1.00 2.00 C ATOM 1442 NZ LYS A 89 -10.488 4.845 8.268 1.00 3.49 N ATOM 0 H LYS A 89 -9.852 -0.421 8.547 1.00 1.12 H new ATOM 0 HA LYS A 89 -11.202 0.641 10.850 1.00 1.20 H new ATOM 0 HB2 LYS A 89 -8.807 0.961 9.850 1.00 1.02 H new ATOM 0 HB3 LYS A 89 -9.564 1.855 8.547 1.00 1.02 H new ATOM 0 HG2 LYS A 89 -10.583 3.277 10.593 1.00 1.30 H new ATOM 0 HG3 LYS A 89 -9.166 2.658 11.417 1.00 1.30 H new ATOM 0 HD2 LYS A 89 -7.852 4.142 10.302 1.00 1.30 H new ATOM 0 HD3 LYS A 89 -8.319 3.413 8.778 1.00 1.30 H new ATOM 0 HE2 LYS A 89 -9.988 5.542 10.200 1.00 2.00 H new ATOM 0 HE3 LYS A 89 -8.802 5.913 8.964 1.00 2.00 H new ATOM 0 HZ1 LYS A 89 -11.351 5.399 8.442 1.00 3.49 H new ATOM 0 HZ2 LYS A 89 -10.099 5.095 7.337 1.00 3.49 H new ATOM 0 HZ3 LYS A 89 -10.718 3.831 8.287 1.00 3.49 H new ATOM 1456 N LYS A 90 -13.335 0.930 9.129 1.00 2.08 N ATOM 1457 CA LYS A 90 -14.471 1.529 8.439 1.00 2.69 C ATOM 1458 C LYS A 90 -15.242 2.568 9.281 1.00 2.83 C ATOM 1459 O LYS A 90 -15.948 3.380 8.689 1.00 3.44 O ATOM 1460 CB LYS A 90 -15.343 0.443 7.783 1.00 3.51 C ATOM 1461 CG LYS A 90 -16.157 1.015 6.604 1.00 4.67 C ATOM 1462 CD LYS A 90 -16.605 -0.035 5.570 1.00 5.68 C ATOM 1463 CE LYS A 90 -15.426 -0.616 4.767 1.00 6.41 C ATOM 1464 NZ LYS A 90 -15.861 -1.321 3.543 1.00 7.55 N ATOM 0 H LYS A 90 -13.524 0.012 9.532 1.00 2.08 H new ATOM 0 HA LYS A 90 -14.077 2.138 7.625 1.00 2.69 H new ATOM 0 HB2 LYS A 90 -14.710 -0.371 7.430 1.00 3.51 H new ATOM 0 HB3 LYS A 90 -16.021 0.020 8.525 1.00 3.51 H new ATOM 0 HG2 LYS A 90 -17.040 1.518 6.998 1.00 4.67 H new ATOM 0 HG3 LYS A 90 -15.558 1.772 6.098 1.00 4.67 H new ATOM 0 HD2 LYS A 90 -17.125 -0.845 6.082 1.00 5.68 H new ATOM 0 HD3 LYS A 90 -17.319 0.419 4.883 1.00 5.68 H new ATOM 0 HE2 LYS A 90 -14.745 0.190 4.494 1.00 6.41 H new ATOM 0 HE3 LYS A 90 -14.866 -1.306 5.399 1.00 6.41 H new ATOM 0 HZ1 LYS A 90 -15.063 -1.861 3.151 1.00 7.55 H new ATOM 0 HZ2 LYS A 90 -16.639 -1.971 3.775 1.00 7.55 H new ATOM 0 HZ3 LYS A 90 -16.187 -0.627 2.840 1.00 7.55 H new ATOM 1478 N LYS A 91 -15.115 2.568 10.620 1.00 2.99 N ATOM 1479 CA LYS A 91 -15.624 3.601 11.547 1.00 3.80 C ATOM 1480 C LYS A 91 -15.332 3.220 13.004 1.00 3.93 C ATOM 1481 O LYS A 91 -15.143 4.096 13.846 1.00 4.91 O ATOM 1482 CB LYS A 91 -17.123 3.941 11.377 1.00 4.88 C ATOM 1483 CG LYS A 91 -17.637 5.046 12.320 1.00 6.23 C ATOM 1484 CD LYS A 91 -16.850 6.361 12.191 1.00 7.35 C ATOM 1485 CE LYS A 91 -17.471 7.453 13.074 1.00 8.83 C ATOM 1486 NZ LYS A 91 -16.681 8.703 13.049 1.00 10.01 N ATOM 0 H LYS A 91 -14.633 1.814 11.110 1.00 2.99 H new ATOM 0 HA LYS A 91 -15.082 4.508 11.281 1.00 3.80 H new ATOM 0 HB2 LYS A 91 -17.298 4.250 10.346 1.00 4.88 H new ATOM 0 HB3 LYS A 91 -17.709 3.037 11.543 1.00 4.88 H new ATOM 0 HG2 LYS A 91 -18.689 5.236 12.108 1.00 6.23 H new ATOM 0 HG3 LYS A 91 -17.578 4.693 13.350 1.00 6.23 H new ATOM 0 HD2 LYS A 91 -15.812 6.199 12.480 1.00 7.35 H new ATOM 0 HD3 LYS A 91 -16.844 6.687 11.151 1.00 7.35 H new ATOM 0 HE2 LYS A 91 -18.486 7.659 12.735 1.00 8.83 H new ATOM 0 HE3 LYS A 91 -17.545 7.091 14.100 1.00 8.83 H new ATOM 0 HZ1 LYS A 91 -17.135 9.413 13.658 1.00 10.01 H new ATOM 0 HZ2 LYS A 91 -15.719 8.513 13.397 1.00 10.01 H new ATOM 0 HZ3 LYS A 91 -16.632 9.063 12.075 1.00 10.01 H new ATOM 1500 N ASP A 92 -15.306 1.917 13.294 1.00 3.56 N ATOM 1501 CA ASP A 92 -14.506 1.353 14.375 1.00 4.04 C ATOM 1502 C ASP A 92 -15.122 1.618 15.747 1.00 4.78 C ATOM 1503 O ASP A 92 -14.418 1.799 16.737 1.00 5.31 O ATOM 1504 CB ASP A 92 -13.041 1.823 14.290 1.00 4.25 C ATOM 1505 CG ASP A 92 -12.412 1.710 12.906 1.00 4.66 C ATOM 1506 OD1 ASP A 92 -13.118 1.280 11.963 1.00 5.07 O ATOM 1507 OD2 ASP A 92 -11.229 2.089 12.800 1.00 5.50 O ATOM 0 H ASP A 92 -15.845 1.221 12.779 1.00 3.56 H new ATOM 0 HA ASP A 92 -14.504 0.270 14.247 1.00 4.04 H new ATOM 0 HB2 ASP A 92 -12.988 2.863 14.614 1.00 4.25 H new ATOM 0 HB3 ASP A 92 -12.446 1.240 14.993 1.00 4.25 H new ATOM 1512 N LEU A 93 -16.454 1.603 15.804 1.00 5.19 N ATOM 1513 CA LEU A 93 -17.218 1.723 17.022 1.00 6.07 C ATOM 1514 C LEU A 93 -18.517 0.934 16.820 1.00 6.21 C ATOM 1515 O LEU A 93 -18.821 0.036 17.600 1.00 6.92 O ATOM 1516 CB LEU A 93 -17.417 3.218 17.309 1.00 6.83 C ATOM 1517 CG LEU A 93 -18.501 3.477 18.354 1.00 8.06 C ATOM 1518 CD1 LEU A 93 -18.184 2.824 19.705 1.00 8.83 C ATOM 1519 CD2 LEU A 93 -18.694 4.984 18.546 1.00 9.13 C ATOM 0 H LEU A 93 -17.038 1.504 14.973 1.00 5.19 H new ATOM 0 HA LEU A 93 -16.721 1.306 17.898 1.00 6.07 H new ATOM 0 HB2 LEU A 93 -16.476 3.646 17.654 1.00 6.83 H new ATOM 0 HB3 LEU A 93 -17.680 3.730 16.383 1.00 6.83 H new ATOM 0 HG LEU A 93 -19.419 3.025 17.979 1.00 8.06 H new ATOM 0 HD11 LEU A 93 -18.986 3.039 20.410 1.00 8.83 H new ATOM 0 HD12 LEU A 93 -18.094 1.745 19.576 1.00 8.83 H new ATOM 0 HD13 LEU A 93 -17.245 3.222 20.090 1.00 8.83 H new ATOM 0 HD21 LEU A 93 -19.469 5.159 19.293 1.00 9.13 H new ATOM 0 HD22 LEU A 93 -17.758 5.431 18.882 1.00 9.13 H new ATOM 0 HD23 LEU A 93 -18.993 5.436 17.600 1.00 9.13 H new ATOM 1531 N LYS A 94 -19.267 1.250 15.756 1.00 5.84 N ATOM 1532 CA LYS A 94 -20.469 0.510 15.369 1.00 6.15 C ATOM 1533 C LYS A 94 -20.246 -0.244 14.057 1.00 5.56 C ATOM 1534 O LYS A 94 -20.284 -1.471 14.053 1.00 5.88 O ATOM 1535 CB LYS A 94 -21.676 1.457 15.278 1.00 7.05 C ATOM 1536 CG LYS A 94 -22.172 1.837 16.681 1.00 8.27 C ATOM 1537 CD LYS A 94 -23.246 2.936 16.655 1.00 9.00 C ATOM 1538 CE LYS A 94 -24.490 2.593 15.820 1.00 9.74 C ATOM 1539 NZ LYS A 94 -25.140 1.339 16.255 1.00 10.90 N ATOM 0 H LYS A 94 -19.053 2.032 15.137 1.00 5.84 H new ATOM 0 HA LYS A 94 -20.683 -0.232 16.139 1.00 6.15 H new ATOM 0 HB2 LYS A 94 -21.399 2.357 14.728 1.00 7.05 H new ATOM 0 HB3 LYS A 94 -22.480 0.978 14.720 1.00 7.05 H new ATOM 0 HG2 LYS A 94 -22.577 0.951 17.171 1.00 8.27 H new ATOM 0 HG3 LYS A 94 -21.327 2.175 17.281 1.00 8.27 H new ATOM 0 HD2 LYS A 94 -23.558 3.146 17.678 1.00 9.00 H new ATOM 0 HD3 LYS A 94 -22.802 3.851 16.263 1.00 9.00 H new ATOM 0 HE2 LYS A 94 -25.206 3.412 15.889 1.00 9.74 H new ATOM 0 HE3 LYS A 94 -24.206 2.506 14.771 1.00 9.74 H new ATOM 0 HZ1 LYS A 94 -25.982 1.164 15.671 1.00 10.90 H new ATOM 0 HZ2 LYS A 94 -24.474 0.548 16.149 1.00 10.90 H new ATOM 0 HZ3 LYS A 94 -25.422 1.422 17.253 1.00 10.90 H new ATOM 1553 N ILE A 95 -20.046 0.494 12.957 1.00 5.50 N ATOM 1554 CA ILE A 95 -20.100 0.009 11.574 1.00 5.82 C ATOM 1555 C ILE A 95 -21.382 -0.785 11.269 1.00 6.00 C ATOM 1556 O ILE A 95 -22.305 -0.853 12.080 1.00 6.40 O ATOM 1557 CB ILE A 95 -18.788 -0.682 11.110 1.00 6.62 C ATOM 1558 CG1 ILE A 95 -18.351 -1.980 11.812 1.00 7.62 C ATOM 1559 CG2 ILE A 95 -17.632 0.318 11.179 1.00 6.92 C ATOM 1560 CD1 ILE A 95 -19.296 -3.169 11.611 1.00 8.67 C ATOM 0 H ILE A 95 -19.833 1.490 13.011 1.00 5.50 H new ATOM 0 HA ILE A 95 -20.168 0.897 10.945 1.00 5.82 H new ATOM 0 HB ILE A 95 -19.035 -1.004 10.098 1.00 6.62 H new ATOM 0 HG12 ILE A 95 -17.360 -2.256 11.450 1.00 7.62 H new ATOM 0 HG13 ILE A 95 -18.257 -1.785 12.880 1.00 7.62 H new ATOM 0 HG21 ILE A 95 -16.712 -0.167 10.854 1.00 6.92 H new ATOM 0 HG22 ILE A 95 -17.845 1.166 10.528 1.00 6.92 H new ATOM 0 HG23 ILE A 95 -17.515 0.668 12.205 1.00 6.92 H new ATOM 0 HD11 ILE A 95 -18.906 -4.037 12.142 1.00 8.67 H new ATOM 0 HD12 ILE A 95 -20.283 -2.919 12.000 1.00 8.67 H new ATOM 0 HD13 ILE A 95 -19.372 -3.398 10.548 1.00 8.67 H new ATOM 1572 N ARG A 96 -21.445 -1.368 10.070 1.00 6.56 N ATOM 1573 CA ARG A 96 -22.375 -2.419 9.702 1.00 7.19 C ATOM 1574 C ARG A 96 -21.655 -3.277 8.665 1.00 7.35 C ATOM 1575 O ARG A 96 -21.121 -2.731 7.697 1.00 8.17 O ATOM 1576 CB ARG A 96 -23.727 -1.851 9.225 1.00 8.17 C ATOM 1577 CG ARG A 96 -23.696 -0.691 8.209 1.00 9.14 C ATOM 1578 CD ARG A 96 -24.117 -1.084 6.782 1.00 10.46 C ATOM 1579 NE ARG A 96 -23.053 -1.821 6.084 1.00 10.82 N ATOM 1580 CZ ARG A 96 -23.082 -2.248 4.813 1.00 12.33 C ATOM 1581 NH1 ARG A 96 -24.179 -2.062 4.071 1.00 13.50 N ATOM 1582 NH2 ARG A 96 -22.007 -2.854 4.297 1.00 13.02 N ATOM 0 H ARG A 96 -20.823 -1.106 9.305 1.00 6.56 H new ATOM 0 HA ARG A 96 -22.650 -3.036 10.557 1.00 7.19 H new ATOM 0 HB2 ARG A 96 -24.298 -2.668 8.784 1.00 8.17 H new ATOM 0 HB3 ARG A 96 -24.278 -1.514 10.103 1.00 8.17 H new ATOM 0 HG2 ARG A 96 -24.353 0.103 8.563 1.00 9.14 H new ATOM 0 HG3 ARG A 96 -22.687 -0.279 8.177 1.00 9.14 H new ATOM 0 HD2 ARG A 96 -25.017 -1.697 6.824 1.00 10.46 H new ATOM 0 HD3 ARG A 96 -24.369 -0.187 6.217 1.00 10.46 H new ATOM 0 HE ARG A 96 -22.210 -2.028 6.619 1.00 10.82 H new ATOM 0 HH11 ARG A 96 -24.993 -1.596 4.472 1.00 13.50 H new ATOM 0 HH12 ARG A 96 -24.202 -2.386 3.104 1.00 13.50 H new ATOM 0 HH21 ARG A 96 -21.173 -2.988 4.869 1.00 13.02 H new ATOM 0 HH22 ARG A 96 -22.021 -3.182 3.331 1.00 13.02 H new ATOM 1596 N LYS A 97 -21.588 -4.591 8.887 1.00 7.03 N ATOM 1597 CA LYS A 97 -20.822 -5.533 8.077 1.00 7.29 C ATOM 1598 C LYS A 97 -21.051 -6.934 8.641 1.00 7.16 C ATOM 1599 O LYS A 97 -21.614 -7.783 7.953 1.00 7.69 O ATOM 1600 CB LYS A 97 -19.324 -5.159 8.060 1.00 7.36 C ATOM 1601 CG LYS A 97 -18.350 -6.185 7.454 1.00 8.49 C ATOM 1602 CD LYS A 97 -18.531 -6.494 5.958 1.00 9.74 C ATOM 1603 CE LYS A 97 -19.630 -7.506 5.585 1.00 10.41 C ATOM 1604 NZ LYS A 97 -19.490 -8.798 6.290 1.00 10.81 N ATOM 0 H LYS A 97 -22.081 -5.040 9.659 1.00 7.03 H new ATOM 0 HA LYS A 97 -21.157 -5.499 7.040 1.00 7.29 H new ATOM 0 HB2 LYS A 97 -19.215 -4.224 7.510 1.00 7.36 H new ATOM 0 HB3 LYS A 97 -19.013 -4.963 9.086 1.00 7.36 H new ATOM 0 HG2 LYS A 97 -17.333 -5.824 7.608 1.00 8.49 H new ATOM 0 HG3 LYS A 97 -18.445 -7.118 8.010 1.00 8.49 H new ATOM 0 HD2 LYS A 97 -18.742 -5.558 5.441 1.00 9.74 H new ATOM 0 HD3 LYS A 97 -17.582 -6.865 5.571 1.00 9.74 H new ATOM 0 HE2 LYS A 97 -20.605 -7.077 5.816 1.00 10.41 H new ATOM 0 HE3 LYS A 97 -19.605 -7.681 4.509 1.00 10.41 H new ATOM 0 HZ1 LYS A 97 -20.148 -9.491 5.879 1.00 10.81 H new ATOM 0 HZ2 LYS A 97 -18.515 -9.144 6.190 1.00 10.81 H new ATOM 0 HZ3 LYS A 97 -19.709 -8.669 7.298 1.00 10.81 H new ATOM 1618 N LYS A 98 -20.625 -7.162 9.887 1.00 7.14 N ATOM 1619 CA LYS A 98 -20.714 -8.470 10.522 1.00 7.74 C ATOM 1620 C LYS A 98 -19.634 -9.418 9.983 1.00 7.96 C ATOM 1621 O LYS A 98 -19.230 -10.316 10.753 1.00 8.65 O ATOM 1622 CB LYS A 98 -20.645 -8.317 12.052 1.00 8.42 C ATOM 1623 CG LYS A 98 -19.307 -7.734 12.547 1.00 8.66 C ATOM 1624 CD LYS A 98 -18.960 -8.205 13.970 1.00 9.68 C ATOM 1625 CE LYS A 98 -18.115 -9.492 14.000 1.00 10.20 C ATOM 1626 NZ LYS A 98 -18.757 -10.633 13.316 1.00 10.07 N ATOM 1627 OXT LYS A 98 -19.193 -9.212 8.832 1.00 7.90 O ATOM 0 H LYS A 98 -20.210 -6.443 10.479 1.00 7.14 H new ATOM 0 HA LYS A 98 -21.675 -8.921 10.276 1.00 7.74 H new ATOM 0 HB2 LYS A 98 -21.459 -7.672 12.383 1.00 8.42 H new ATOM 0 HB3 LYS A 98 -20.802 -9.291 12.515 1.00 8.42 H new ATOM 0 HG2 LYS A 98 -18.510 -8.028 11.864 1.00 8.66 H new ATOM 0 HG3 LYS A 98 -19.358 -6.645 12.528 1.00 8.66 H new ATOM 0 HD2 LYS A 98 -18.418 -7.412 14.485 1.00 9.68 H new ATOM 0 HD3 LYS A 98 -19.883 -8.373 14.524 1.00 9.68 H new ATOM 0 HE2 LYS A 98 -17.150 -9.295 13.533 1.00 10.20 H new ATOM 0 HE3 LYS A 98 -17.918 -9.764 15.037 1.00 10.20 H new ATOM 0 HZ1 LYS A 98 -18.307 -11.519 13.622 1.00 10.07 H new ATOM 0 HZ2 LYS A 98 -19.769 -10.657 13.556 1.00 10.07 H new ATOM 0 HZ3 LYS A 98 -18.648 -10.527 12.287 1.00 10.07 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -12.893 -5.403 11.320 1.00 4.29 N ATOM 1643 CA MET B 1 -13.859 -5.041 10.271 1.00 3.88 C ATOM 1644 C MET B 1 -13.778 -6.163 9.237 1.00 3.78 C ATOM 1645 O MET B 1 -13.812 -7.311 9.671 1.00 4.31 O ATOM 1646 CB MET B 1 -15.288 -4.865 10.835 1.00 4.14 C ATOM 1647 CG MET B 1 -15.396 -4.530 12.339 1.00 4.39 C ATOM 1648 SD MET B 1 -14.229 -3.334 13.051 1.00 5.07 S ATOM 1649 CE MET B 1 -14.626 -1.835 12.135 1.00 6.79 C ATOM 0 H1 MET B 1 -12.910 -4.683 12.071 1.00 4.29 H new ATOM 0 H2 MET B 1 -13.147 -6.328 11.722 1.00 4.29 H new ATOM 0 H3 MET B 1 -11.938 -5.454 10.910 1.00 4.29 H new ATOM 0 HA MET B 1 -13.620 -4.076 9.824 1.00 3.88 H new ATOM 0 HB2 MET B 1 -15.782 -4.073 10.272 1.00 4.14 H new ATOM 0 HB3 MET B 1 -15.844 -5.784 10.649 1.00 4.14 H new ATOM 0 HG2 MET B 1 -16.404 -4.159 12.524 1.00 4.39 H new ATOM 0 HG3 MET B 1 -15.293 -5.463 12.894 1.00 4.39 H new ATOM 0 HE1 MET B 1 -13.776 -1.153 12.167 1.00 6.79 H new ATOM 0 HE2 MET B 1 -14.848 -2.090 11.099 1.00 6.79 H new ATOM 0 HE3 MET B 1 -15.494 -1.353 12.584 1.00 6.79 H new ATOM 1661 N ALA B 2 -13.534 -5.869 7.954 1.00 3.94 N ATOM 1662 CA ALA B 2 -13.217 -6.888 6.952 1.00 4.01 C ATOM 1663 C ALA B 2 -14.378 -7.835 6.672 1.00 3.21 C ATOM 1664 O ALA B 2 -15.511 -7.613 7.100 1.00 3.18 O ATOM 1665 CB ALA B 2 -11.940 -7.645 7.353 1.00 5.01 C ATOM 0 H ALA B 2 -13.551 -4.919 7.584 1.00 3.94 H new ATOM 0 HA ALA B 2 -13.034 -6.371 6.010 1.00 4.01 H new ATOM 0 HB1 ALA B 2 -11.714 -8.401 6.601 1.00 5.01 H new ATOM 0 HB2 ALA B 2 -11.109 -6.944 7.425 1.00 5.01 H new ATOM 0 HB3 ALA B 2 -12.091 -8.128 8.318 1.00 5.01 H new ATOM 1671 N ALA B 3 -14.068 -8.885 5.910 1.00 3.46 N ATOM 1672 CA ALA B 3 -14.993 -9.911 5.479 1.00 3.50 C ATOM 1673 C ALA B 3 -16.165 -9.319 4.697 1.00 2.55 C ATOM 1674 O ALA B 3 -17.328 -9.599 4.992 1.00 3.09 O ATOM 1675 CB ALA B 3 -15.433 -10.781 6.665 1.00 4.56 C ATOM 0 H ALA B 3 -13.121 -9.042 5.566 1.00 3.46 H new ATOM 0 HA ALA B 3 -14.476 -10.571 4.782 1.00 3.50 H new ATOM 0 HB1 ALA B 3 -16.128 -11.545 6.317 1.00 4.56 H new ATOM 0 HB2 ALA B 3 -14.560 -11.259 7.109 1.00 4.56 H new ATOM 0 HB3 ALA B 3 -15.924 -10.157 7.412 1.00 4.56 H new ATOM 1681 N GLU B 4 -15.848 -8.508 3.687 1.00 2.01 N ATOM 1682 CA GLU B 4 -16.767 -7.989 2.684 1.00 2.08 C ATOM 1683 C GLU B 4 -16.292 -8.531 1.328 1.00 1.65 C ATOM 1684 O GLU B 4 -15.112 -8.850 1.204 1.00 1.65 O ATOM 1685 CB GLU B 4 -16.798 -6.443 2.724 1.00 3.34 C ATOM 1686 CG GLU B 4 -15.634 -5.785 3.492 1.00 5.02 C ATOM 1687 CD GLU B 4 -15.741 -4.265 3.504 1.00 6.81 C ATOM 1688 OE1 GLU B 4 -16.795 -3.734 3.928 1.00 7.34 O ATOM 1689 OE2 GLU B 4 -14.764 -3.588 3.112 1.00 7.99 O ATOM 0 H GLU B 4 -14.893 -8.181 3.543 1.00 2.01 H new ATOM 0 HA GLU B 4 -17.791 -8.312 2.871 1.00 2.08 H new ATOM 0 HB2 GLU B 4 -16.795 -6.068 1.700 1.00 3.34 H new ATOM 0 HB3 GLU B 4 -17.737 -6.126 3.177 1.00 3.34 H new ATOM 0 HG2 GLU B 4 -15.622 -6.155 4.517 1.00 5.02 H new ATOM 0 HG3 GLU B 4 -14.688 -6.078 3.036 1.00 5.02 H new ATOM 1696 N PRO B 5 -17.176 -8.684 0.329 1.00 1.87 N ATOM 1697 CA PRO B 5 -16.779 -9.035 -1.028 1.00 1.71 C ATOM 1698 C PRO B 5 -16.094 -7.827 -1.675 1.00 1.34 C ATOM 1699 O PRO B 5 -16.394 -6.692 -1.309 1.00 1.74 O ATOM 1700 CB PRO B 5 -18.080 -9.407 -1.739 1.00 2.41 C ATOM 1701 CG PRO B 5 -19.115 -8.522 -1.042 1.00 2.89 C ATOM 1702 CD PRO B 5 -18.610 -8.458 0.403 1.00 2.63 C ATOM 0 HA PRO B 5 -16.069 -9.860 -1.074 1.00 1.71 H new ATOM 0 HB2 PRO B 5 -18.029 -9.203 -2.809 1.00 2.41 H new ATOM 0 HB3 PRO B 5 -18.313 -10.466 -1.627 1.00 2.41 H new ATOM 0 HG2 PRO B 5 -19.167 -7.532 -1.494 1.00 2.89 H new ATOM 0 HG3 PRO B 5 -20.115 -8.951 -1.100 1.00 2.89 H new ATOM 0 HD2 PRO B 5 -18.831 -7.490 0.852 1.00 2.63 H new ATOM 0 HD3 PRO B 5 -19.094 -9.214 1.021 1.00 2.63 H new ATOM 1710 N LEU B 6 -15.156 -8.066 -2.599 1.00 1.16 N ATOM 1711 CA LEU B 6 -14.229 -7.054 -3.086 1.00 1.44 C ATOM 1712 C LEU B 6 -14.052 -7.237 -4.595 1.00 1.48 C ATOM 1713 O LEU B 6 -13.946 -8.373 -5.052 1.00 2.10 O ATOM 1714 CB LEU B 6 -12.878 -7.255 -2.383 1.00 2.09 C ATOM 1715 CG LEU B 6 -12.930 -7.256 -0.846 1.00 1.84 C ATOM 1716 CD1 LEU B 6 -11.624 -7.794 -0.256 1.00 2.65 C ATOM 1717 CD2 LEU B 6 -13.219 -5.866 -0.269 1.00 2.40 C ATOM 0 H LEU B 6 -15.023 -8.981 -3.031 1.00 1.16 H new ATOM 0 HA LEU B 6 -14.609 -6.053 -2.881 1.00 1.44 H new ATOM 0 HB2 LEU B 6 -12.451 -8.201 -2.716 1.00 2.09 H new ATOM 0 HB3 LEU B 6 -12.198 -6.467 -2.706 1.00 2.09 H new ATOM 0 HG LEU B 6 -13.754 -7.912 -0.566 1.00 1.84 H new ATOM 0 HD11 LEU B 6 -11.685 -7.785 0.832 1.00 2.65 H new ATOM 0 HD12 LEU B 6 -11.462 -8.815 -0.602 1.00 2.65 H new ATOM 0 HD13 LEU B 6 -10.793 -7.166 -0.578 1.00 2.65 H new ATOM 0 HD21 LEU B 6 -13.245 -5.922 0.819 1.00 2.40 H new ATOM 0 HD22 LEU B 6 -12.436 -5.174 -0.578 1.00 2.40 H new ATOM 0 HD23 LEU B 6 -14.182 -5.512 -0.637 1.00 2.40 H new ATOM 1729 N THR B 7 -14.037 -6.146 -5.368 1.00 1.17 N ATOM 1730 CA THR B 7 -13.984 -6.203 -6.824 1.00 1.28 C ATOM 1731 C THR B 7 -12.636 -6.714 -7.358 1.00 1.40 C ATOM 1732 O THR B 7 -12.585 -7.761 -7.999 1.00 2.53 O ATOM 1733 CB THR B 7 -14.421 -4.846 -7.415 1.00 1.43 C ATOM 1734 OG1 THR B 7 -14.705 -4.981 -8.791 1.00 1.74 O ATOM 1735 CG2 THR B 7 -13.404 -3.713 -7.237 1.00 1.64 C ATOM 0 H THR B 7 -14.062 -5.197 -4.995 1.00 1.17 H new ATOM 0 HA THR B 7 -14.697 -6.953 -7.167 1.00 1.28 H new ATOM 0 HB THR B 7 -15.309 -4.565 -6.848 1.00 1.43 H new ATOM 0 HG1 THR B 7 -14.983 -4.114 -9.154 1.00 1.74 H new ATOM 0 HG21 THR B 7 -13.796 -2.799 -7.683 1.00 1.64 H new ATOM 0 HG22 THR B 7 -13.223 -3.550 -6.175 1.00 1.64 H new ATOM 0 HG23 THR B 7 -12.469 -3.983 -7.727 1.00 1.64 H new ATOM 1743 N GLU B 8 -11.549 -5.959 -7.143 1.00 1.20 N ATOM 1744 CA GLU B 8 -10.304 -6.111 -7.887 1.00 1.00 C ATOM 1745 C GLU B 8 -9.213 -5.290 -7.195 1.00 0.85 C ATOM 1746 O GLU B 8 -8.405 -5.831 -6.446 1.00 0.91 O ATOM 1747 CB GLU B 8 -10.539 -5.681 -9.344 1.00 1.00 C ATOM 1748 CG GLU B 8 -9.280 -5.830 -10.199 1.00 1.10 C ATOM 1749 CD GLU B 8 -9.570 -5.448 -11.645 1.00 1.37 C ATOM 1750 OE1 GLU B 8 -10.133 -4.344 -11.829 1.00 1.76 O ATOM 1751 OE2 GLU B 8 -9.231 -6.257 -12.533 1.00 1.96 O ATOM 0 H GLU B 8 -11.516 -5.221 -6.440 1.00 1.20 H new ATOM 0 HA GLU B 8 -9.972 -7.149 -7.903 1.00 1.00 H new ATOM 0 HB2 GLU B 8 -11.341 -6.281 -9.773 1.00 1.00 H new ATOM 0 HB3 GLU B 8 -10.871 -4.643 -9.366 1.00 1.00 H new ATOM 0 HG2 GLU B 8 -8.486 -5.198 -9.802 1.00 1.10 H new ATOM 0 HG3 GLU B 8 -8.921 -6.858 -10.153 1.00 1.10 H new ATOM 1758 N LEU B 9 -9.223 -3.963 -7.353 1.00 0.75 N ATOM 1759 CA LEU B 9 -8.390 -3.098 -6.520 1.00 0.69 C ATOM 1760 C LEU B 9 -8.728 -3.334 -5.047 1.00 0.70 C ATOM 1761 O LEU B 9 -7.846 -3.522 -4.213 1.00 0.79 O ATOM 1762 CB LEU B 9 -8.558 -1.624 -6.925 1.00 0.73 C ATOM 1763 CG LEU B 9 -7.514 -1.235 -7.987 1.00 0.77 C ATOM 1764 CD1 LEU B 9 -7.913 0.067 -8.685 1.00 0.96 C ATOM 1765 CD2 LEU B 9 -6.123 -1.029 -7.369 1.00 1.01 C ATOM 0 H LEU B 9 -9.792 -3.471 -8.042 1.00 0.75 H new ATOM 0 HA LEU B 9 -7.339 -3.346 -6.671 1.00 0.69 H new ATOM 0 HB2 LEU B 9 -9.562 -1.460 -7.316 1.00 0.73 H new ATOM 0 HB3 LEU B 9 -8.449 -0.985 -6.049 1.00 0.73 H new ATOM 0 HG LEU B 9 -7.476 -2.057 -8.701 1.00 0.77 H new ATOM 0 HD11 LEU B 9 -7.162 0.324 -9.432 1.00 0.96 H new ATOM 0 HD12 LEU B 9 -8.880 -0.063 -9.172 1.00 0.96 H new ATOM 0 HD13 LEU B 9 -7.982 0.868 -7.949 1.00 0.96 H new ATOM 0 HD21 LEU B 9 -5.414 -0.756 -8.151 1.00 1.01 H new ATOM 0 HD22 LEU B 9 -6.169 -0.232 -6.626 1.00 1.01 H new ATOM 0 HD23 LEU B 9 -5.797 -1.953 -6.891 1.00 1.01 H new ATOM 1777 N GLU B 10 -10.029 -3.388 -4.757 1.00 0.73 N ATOM 1778 CA GLU B 10 -10.576 -3.720 -3.453 1.00 0.86 C ATOM 1779 C GLU B 10 -10.053 -5.089 -2.981 1.00 0.98 C ATOM 1780 O GLU B 10 -9.790 -5.280 -1.797 1.00 1.45 O ATOM 1781 CB GLU B 10 -12.109 -3.741 -3.547 1.00 0.99 C ATOM 1782 CG GLU B 10 -12.772 -2.428 -4.021 1.00 2.04 C ATOM 1783 CD GLU B 10 -14.296 -2.566 -4.125 1.00 2.64 C ATOM 1784 OE1 GLU B 10 -14.732 -3.710 -4.381 1.00 3.23 O ATOM 1785 OE2 GLU B 10 -14.997 -1.535 -3.998 1.00 3.46 O ATOM 0 H GLU B 10 -10.750 -3.194 -5.452 1.00 0.73 H new ATOM 0 HA GLU B 10 -10.262 -2.970 -2.727 1.00 0.86 H new ATOM 0 HB2 GLU B 10 -12.401 -4.540 -4.228 1.00 0.99 H new ATOM 0 HB3 GLU B 10 -12.511 -3.995 -2.566 1.00 0.99 H new ATOM 0 HG2 GLU B 10 -12.526 -1.625 -3.326 1.00 2.04 H new ATOM 0 HG3 GLU B 10 -12.365 -2.145 -4.992 1.00 2.04 H new ATOM 1792 N GLU B 11 -9.937 -6.057 -3.896 1.00 0.86 N ATOM 1793 CA GLU B 11 -9.526 -7.416 -3.564 1.00 0.87 C ATOM 1794 C GLU B 11 -8.037 -7.409 -3.205 1.00 0.93 C ATOM 1795 O GLU B 11 -7.630 -7.865 -2.134 1.00 1.22 O ATOM 1796 CB GLU B 11 -9.957 -8.385 -4.694 1.00 0.92 C ATOM 1797 CG GLU B 11 -8.871 -9.075 -5.533 1.00 2.00 C ATOM 1798 CD GLU B 11 -8.061 -10.092 -4.742 1.00 3.19 C ATOM 1799 OE1 GLU B 11 -8.683 -11.068 -4.278 1.00 3.52 O ATOM 1800 OE2 GLU B 11 -6.838 -9.867 -4.602 1.00 4.46 O ATOM 0 H GLU B 11 -10.127 -5.915 -4.888 1.00 0.86 H new ATOM 0 HA GLU B 11 -10.032 -7.798 -2.677 1.00 0.87 H new ATOM 0 HB2 GLU B 11 -10.571 -9.165 -4.243 1.00 0.92 H new ATOM 0 HB3 GLU B 11 -10.599 -7.830 -5.378 1.00 0.92 H new ATOM 0 HG2 GLU B 11 -9.338 -9.573 -6.382 1.00 2.00 H new ATOM 0 HG3 GLU B 11 -8.198 -8.319 -5.938 1.00 2.00 H new ATOM 1807 N SER B 12 -7.237 -6.810 -4.089 1.00 0.80 N ATOM 1808 CA SER B 12 -5.787 -6.849 -3.996 1.00 0.85 C ATOM 1809 C SER B 12 -5.310 -6.198 -2.698 1.00 0.83 C ATOM 1810 O SER B 12 -4.358 -6.671 -2.072 1.00 0.99 O ATOM 1811 CB SER B 12 -5.141 -6.265 -5.257 1.00 0.92 C ATOM 1812 OG SER B 12 -5.788 -5.082 -5.673 1.00 1.51 O ATOM 0 H SER B 12 -7.584 -6.283 -4.891 1.00 0.80 H new ATOM 0 HA SER B 12 -5.458 -7.887 -3.949 1.00 0.85 H new ATOM 0 HB2 SER B 12 -4.089 -6.056 -5.064 1.00 0.92 H new ATOM 0 HB3 SER B 12 -5.178 -7.002 -6.060 1.00 0.92 H new ATOM 0 HG SER B 12 -6.648 -5.307 -6.086 1.00 1.51 H new ATOM 1818 N ILE B 13 -5.997 -5.144 -2.250 1.00 0.74 N ATOM 1819 CA ILE B 13 -5.690 -4.551 -0.959 1.00 0.84 C ATOM 1820 C ILE B 13 -5.924 -5.550 0.184 1.00 0.97 C ATOM 1821 O ILE B 13 -5.052 -5.668 1.047 1.00 1.07 O ATOM 1822 CB ILE B 13 -6.259 -3.123 -0.790 1.00 0.84 C ATOM 1823 CG1 ILE B 13 -7.763 -2.973 -1.028 1.00 0.77 C ATOM 1824 CG2 ILE B 13 -5.513 -2.224 -1.786 1.00 0.83 C ATOM 1825 CD1 ILE B 13 -8.583 -3.265 0.224 1.00 0.85 C ATOM 0 H ILE B 13 -6.758 -4.693 -2.758 1.00 0.74 H new ATOM 0 HA ILE B 13 -4.619 -4.353 -0.908 1.00 0.84 H new ATOM 0 HB ILE B 13 -6.111 -2.849 0.255 1.00 0.84 H new ATOM 0 HG12 ILE B 13 -7.975 -1.960 -1.369 1.00 0.77 H new ATOM 0 HG13 ILE B 13 -8.071 -3.649 -1.826 1.00 0.77 H new ATOM 0 HG21 ILE B 13 -5.883 -1.202 -1.702 1.00 0.83 H new ATOM 0 HG22 ILE B 13 -4.446 -2.243 -1.564 1.00 0.83 H new ATOM 0 HG23 ILE B 13 -5.679 -2.588 -2.800 1.00 0.83 H new ATOM 0 HD11 ILE B 13 -9.643 -3.144 0.001 1.00 0.85 H new ATOM 0 HD12 ILE B 13 -8.395 -4.287 0.552 1.00 0.85 H new ATOM 0 HD13 ILE B 13 -8.298 -2.572 1.016 1.00 0.85 H new ATOM 1837 N GLU B 14 -7.009 -6.342 0.193 1.00 1.01 N ATOM 1838 CA GLU B 14 -7.123 -7.345 1.248 1.00 1.20 C ATOM 1839 C GLU B 14 -6.049 -8.417 1.082 1.00 1.08 C ATOM 1840 O GLU B 14 -5.423 -8.778 2.070 1.00 1.05 O ATOM 1841 CB GLU B 14 -8.523 -7.940 1.466 1.00 1.61 C ATOM 1842 CG GLU B 14 -8.476 -8.819 2.740 1.00 1.79 C ATOM 1843 CD GLU B 14 -9.742 -8.833 3.588 1.00 2.68 C ATOM 1844 OE1 GLU B 14 -10.851 -8.881 3.028 1.00 3.75 O ATOM 1845 OE2 GLU B 14 -9.565 -8.770 4.829 1.00 3.48 O ATOM 0 H GLU B 14 -7.776 -6.310 -0.479 1.00 1.01 H new ATOM 0 HA GLU B 14 -6.949 -6.802 2.177 1.00 1.20 H new ATOM 0 HB2 GLU B 14 -9.261 -7.146 1.578 1.00 1.61 H new ATOM 0 HB3 GLU B 14 -8.823 -8.535 0.603 1.00 1.61 H new ATOM 0 HG2 GLU B 14 -8.250 -9.843 2.443 1.00 1.79 H new ATOM 0 HG3 GLU B 14 -7.649 -8.478 3.363 1.00 1.79 H new ATOM 1852 N THR B 15 -5.788 -8.897 -0.138 1.00 1.05 N ATOM 1853 CA THR B 15 -4.707 -9.849 -0.407 1.00 1.05 C ATOM 1854 C THR B 15 -3.402 -9.473 0.321 1.00 1.04 C ATOM 1855 O THR B 15 -2.776 -10.298 0.991 1.00 1.09 O ATOM 1856 CB THR B 15 -4.540 -9.994 -1.924 1.00 1.25 C ATOM 1857 OG1 THR B 15 -5.655 -10.716 -2.397 1.00 2.41 O ATOM 1858 CG2 THR B 15 -3.248 -10.702 -2.328 1.00 1.30 C ATOM 0 H THR B 15 -6.321 -8.636 -0.967 1.00 1.05 H new ATOM 0 HA THR B 15 -4.973 -10.824 0.000 1.00 1.05 H new ATOM 0 HB THR B 15 -4.479 -8.999 -2.364 1.00 1.25 H new ATOM 0 HG1 THR B 15 -5.808 -10.500 -3.341 1.00 2.41 H new ATOM 0 HG21 THR B 15 -3.195 -10.770 -3.415 1.00 1.30 H new ATOM 0 HG22 THR B 15 -2.392 -10.137 -1.958 1.00 1.30 H new ATOM 0 HG23 THR B 15 -3.233 -11.705 -1.900 1.00 1.30 H new ATOM 1866 N VAL B 16 -2.989 -8.210 0.236 1.00 1.00 N ATOM 1867 CA VAL B 16 -1.789 -7.772 0.944 1.00 0.98 C ATOM 1868 C VAL B 16 -2.043 -7.644 2.452 1.00 0.98 C ATOM 1869 O VAL B 16 -1.169 -8.004 3.243 1.00 0.98 O ATOM 1870 CB VAL B 16 -1.129 -6.539 0.309 1.00 0.97 C ATOM 1871 CG1 VAL B 16 -0.672 -6.853 -1.121 1.00 0.99 C ATOM 1872 CG2 VAL B 16 -2.045 -5.320 0.276 1.00 0.93 C ATOM 0 H VAL B 16 -3.458 -7.484 -0.306 1.00 1.00 H new ATOM 0 HA VAL B 16 -1.042 -8.558 0.831 1.00 0.98 H new ATOM 0 HB VAL B 16 -0.274 -6.296 0.940 1.00 0.97 H new ATOM 0 HG11 VAL B 16 -0.207 -5.969 -1.557 1.00 0.99 H new ATOM 0 HG12 VAL B 16 0.049 -7.670 -1.101 1.00 0.99 H new ATOM 0 HG13 VAL B 16 -1.533 -7.143 -1.723 1.00 0.99 H new ATOM 0 HG21 VAL B 16 -1.520 -4.483 -0.184 1.00 0.93 H new ATOM 0 HG22 VAL B 16 -2.938 -5.552 -0.304 1.00 0.93 H new ATOM 0 HG23 VAL B 16 -2.332 -5.053 1.293 1.00 0.93 H new ATOM 1882 N VAL B 17 -3.229 -7.185 2.882 1.00 0.99 N ATOM 1883 CA VAL B 17 -3.565 -7.168 4.304 1.00 1.01 C ATOM 1884 C VAL B 17 -3.399 -8.571 4.906 1.00 1.05 C ATOM 1885 O VAL B 17 -2.749 -8.729 5.938 1.00 1.12 O ATOM 1886 CB VAL B 17 -4.984 -6.617 4.535 1.00 1.03 C ATOM 1887 CG1 VAL B 17 -5.373 -6.671 6.017 1.00 1.22 C ATOM 1888 CG2 VAL B 17 -5.118 -5.157 4.081 1.00 0.94 C ATOM 0 H VAL B 17 -3.960 -6.826 2.269 1.00 0.99 H new ATOM 0 HA VAL B 17 -2.874 -6.497 4.814 1.00 1.01 H new ATOM 0 HB VAL B 17 -5.644 -7.251 3.943 1.00 1.03 H new ATOM 0 HG11 VAL B 17 -6.380 -6.274 6.143 1.00 1.22 H new ATOM 0 HG12 VAL B 17 -5.344 -7.704 6.363 1.00 1.22 H new ATOM 0 HG13 VAL B 17 -4.672 -6.073 6.599 1.00 1.22 H new ATOM 0 HG21 VAL B 17 -6.136 -4.811 4.263 1.00 0.94 H new ATOM 0 HG22 VAL B 17 -4.418 -4.536 4.640 1.00 0.94 H new ATOM 0 HG23 VAL B 17 -4.896 -5.085 3.016 1.00 0.94 H new ATOM 1898 N THR B 18 -3.967 -9.600 4.276 1.00 1.06 N ATOM 1899 CA THR B 18 -3.849 -10.967 4.757 1.00 1.12 C ATOM 1900 C THR B 18 -2.389 -11.434 4.707 1.00 1.10 C ATOM 1901 O THR B 18 -1.928 -12.063 5.659 1.00 1.16 O ATOM 1902 CB THR B 18 -4.854 -11.905 4.061 1.00 1.17 C ATOM 1903 OG1 THR B 18 -4.811 -13.192 4.641 1.00 1.24 O ATOM 1904 CG2 THR B 18 -4.635 -12.041 2.557 1.00 1.24 C ATOM 0 H THR B 18 -4.518 -9.505 3.423 1.00 1.06 H new ATOM 0 HA THR B 18 -4.131 -11.002 5.809 1.00 1.12 H new ATOM 0 HB THR B 18 -5.830 -11.442 4.207 1.00 1.17 H new ATOM 0 HG1 THR B 18 -5.456 -13.776 4.190 1.00 1.24 H new ATOM 0 HG21 THR B 18 -5.382 -12.717 2.140 1.00 1.24 H new ATOM 0 HG22 THR B 18 -4.728 -11.063 2.086 1.00 1.24 H new ATOM 0 HG23 THR B 18 -3.638 -12.441 2.369 1.00 1.24 H new ATOM 1912 N THR B 19 -1.631 -11.073 3.661 1.00 1.11 N ATOM 1913 CA THR B 19 -0.204 -11.381 3.622 1.00 1.18 C ATOM 1914 C THR B 19 0.528 -10.755 4.815 1.00 1.23 C ATOM 1915 O THR B 19 1.425 -11.369 5.379 1.00 1.57 O ATOM 1916 CB THR B 19 0.421 -10.948 2.290 1.00 1.21 C ATOM 1917 OG1 THR B 19 -0.296 -11.504 1.208 1.00 1.26 O ATOM 1918 CG2 THR B 19 1.867 -11.448 2.199 1.00 1.25 C ATOM 0 H THR B 19 -1.981 -10.574 2.843 1.00 1.11 H new ATOM 0 HA THR B 19 -0.093 -12.463 3.698 1.00 1.18 H new ATOM 0 HB THR B 19 0.390 -9.859 2.243 1.00 1.21 H new ATOM 0 HG1 THR B 19 -1.160 -11.050 1.120 1.00 1.26 H new ATOM 0 HG21 THR B 19 2.301 -11.135 1.249 1.00 1.25 H new ATOM 0 HG22 THR B 19 2.449 -11.029 3.020 1.00 1.25 H new ATOM 0 HG23 THR B 19 1.880 -12.536 2.263 1.00 1.25 H new ATOM 1926 N PHE B 20 0.164 -9.536 5.220 1.00 1.04 N ATOM 1927 CA PHE B 20 0.654 -8.982 6.478 1.00 1.02 C ATOM 1928 C PHE B 20 0.209 -9.889 7.636 1.00 0.98 C ATOM 1929 O PHE B 20 1.022 -10.323 8.456 1.00 1.02 O ATOM 1930 CB PHE B 20 0.206 -7.512 6.625 1.00 1.16 C ATOM 1931 CG PHE B 20 -0.322 -7.099 7.990 1.00 1.90 C ATOM 1932 CD1 PHE B 20 0.506 -7.176 9.125 1.00 3.28 C ATOM 1933 CD2 PHE B 20 -1.662 -6.693 8.135 1.00 2.86 C ATOM 1934 CE1 PHE B 20 -0.016 -6.884 10.396 1.00 4.27 C ATOM 1935 CE2 PHE B 20 -2.184 -6.402 9.406 1.00 4.04 C ATOM 1936 CZ PHE B 20 -1.362 -6.504 10.538 1.00 4.39 C ATOM 0 H PHE B 20 -0.462 -8.922 4.699 1.00 1.04 H new ATOM 0 HA PHE B 20 1.744 -8.961 6.494 1.00 1.02 H new ATOM 0 HB2 PHE B 20 1.052 -6.871 6.378 1.00 1.16 H new ATOM 0 HB3 PHE B 20 -0.570 -7.316 5.885 1.00 1.16 H new ATOM 0 HD1 PHE B 20 1.543 -7.460 9.019 1.00 3.28 H new ATOM 0 HD2 PHE B 20 -2.293 -6.605 7.263 1.00 2.86 H new ATOM 0 HE1 PHE B 20 0.619 -6.952 11.267 1.00 4.27 H new ATOM 0 HE2 PHE B 20 -3.216 -6.100 9.511 1.00 4.04 H new ATOM 0 HZ PHE B 20 -1.763 -6.291 11.518 1.00 4.39 H new ATOM 1946 N PHE B 21 -1.093 -10.175 7.699 1.00 0.98 N ATOM 1947 CA PHE B 21 -1.706 -10.881 8.811 1.00 1.06 C ATOM 1948 C PHE B 21 -1.037 -12.230 9.095 1.00 1.18 C ATOM 1949 O PHE B 21 -0.812 -12.577 10.256 1.00 1.16 O ATOM 1950 CB PHE B 21 -3.217 -11.020 8.605 1.00 1.17 C ATOM 1951 CG PHE B 21 -3.961 -11.307 9.895 1.00 1.37 C ATOM 1952 CD1 PHE B 21 -4.022 -10.318 10.897 1.00 2.54 C ATOM 1953 CD2 PHE B 21 -4.489 -12.588 10.145 1.00 2.41 C ATOM 1954 CE1 PHE B 21 -4.596 -10.612 12.146 1.00 3.03 C ATOM 1955 CE2 PHE B 21 -5.090 -12.872 11.385 1.00 2.85 C ATOM 1956 CZ PHE B 21 -5.138 -11.886 12.387 1.00 2.63 C ATOM 0 H PHE B 21 -1.754 -9.917 6.967 1.00 0.98 H new ATOM 0 HA PHE B 21 -1.546 -10.275 9.703 1.00 1.06 H new ATOM 0 HB2 PHE B 21 -3.605 -10.102 8.163 1.00 1.17 H new ATOM 0 HB3 PHE B 21 -3.410 -11.823 7.893 1.00 1.17 H new ATOM 0 HD1 PHE B 21 -3.627 -9.332 10.705 1.00 2.54 H new ATOM 0 HD2 PHE B 21 -4.433 -13.353 9.385 1.00 2.41 H new ATOM 0 HE1 PHE B 21 -4.620 -9.859 12.920 1.00 3.03 H new ATOM 0 HE2 PHE B 21 -5.515 -13.848 11.568 1.00 2.85 H new ATOM 0 HZ PHE B 21 -5.591 -12.108 13.342 1.00 2.63 H new ATOM 1966 N THR B 22 -0.685 -12.985 8.052 1.00 1.40 N ATOM 1967 CA THR B 22 0.004 -14.259 8.208 1.00 1.63 C ATOM 1968 C THR B 22 1.330 -14.112 8.967 1.00 1.50 C ATOM 1969 O THR B 22 1.715 -15.045 9.671 1.00 1.62 O ATOM 1970 CB THR B 22 0.183 -14.938 6.844 1.00 2.05 C ATOM 1971 OG1 THR B 22 0.665 -13.996 5.918 1.00 2.95 O ATOM 1972 CG2 THR B 22 -1.148 -15.486 6.325 1.00 1.74 C ATOM 0 H THR B 22 -0.870 -12.729 7.082 1.00 1.40 H new ATOM 0 HA THR B 22 -0.619 -14.907 8.824 1.00 1.63 H new ATOM 0 HB THR B 22 0.886 -15.762 6.963 1.00 2.05 H new ATOM 0 HG1 THR B 22 0.782 -14.426 5.045 1.00 2.95 H new ATOM 0 HG21 THR B 22 -0.993 -15.962 5.357 1.00 1.74 H new ATOM 0 HG22 THR B 22 -1.540 -16.218 7.031 1.00 1.74 H new ATOM 0 HG23 THR B 22 -1.861 -14.668 6.217 1.00 1.74 H new ATOM 1980 N PHE B 23 2.019 -12.968 8.870 1.00 1.48 N ATOM 1981 CA PHE B 23 3.131 -12.650 9.770 1.00 1.54 C ATOM 1982 C PHE B 23 2.657 -12.080 11.108 1.00 1.27 C ATOM 1983 O PHE B 23 3.272 -12.316 12.142 1.00 1.46 O ATOM 1984 CB PHE B 23 4.135 -11.709 9.093 1.00 1.90 C ATOM 1985 CG PHE B 23 4.688 -12.250 7.792 1.00 1.63 C ATOM 1986 CD1 PHE B 23 5.582 -13.335 7.807 1.00 2.49 C ATOM 1987 CD2 PHE B 23 4.205 -11.762 6.566 1.00 2.37 C ATOM 1988 CE1 PHE B 23 5.961 -13.952 6.603 1.00 2.61 C ATOM 1989 CE2 PHE B 23 4.536 -12.415 5.368 1.00 2.83 C ATOM 1990 CZ PHE B 23 5.410 -13.515 5.386 1.00 2.40 C ATOM 0 H PHE B 23 1.824 -12.247 8.175 1.00 1.48 H new ATOM 0 HA PHE B 23 3.637 -13.590 9.991 1.00 1.54 H new ATOM 0 HB2 PHE B 23 3.651 -10.751 8.902 1.00 1.90 H new ATOM 0 HB3 PHE B 23 4.961 -11.518 9.778 1.00 1.90 H new ATOM 0 HD1 PHE B 23 5.978 -13.695 8.745 1.00 2.49 H new ATOM 0 HD2 PHE B 23 3.578 -10.883 6.545 1.00 2.37 H new ATOM 0 HE1 PHE B 23 6.675 -14.762 6.613 1.00 2.61 H new ATOM 0 HE2 PHE B 23 4.119 -12.072 4.433 1.00 2.83 H new ATOM 0 HZ PHE B 23 5.658 -14.024 4.466 1.00 2.40 H new ATOM 2000 N ALA B 24 1.571 -11.306 11.111 1.00 0.98 N ATOM 2001 CA ALA B 24 1.065 -10.608 12.289 1.00 1.01 C ATOM 2002 C ALA B 24 0.931 -11.576 13.445 1.00 0.96 C ATOM 2003 O ALA B 24 1.363 -11.263 14.557 1.00 0.98 O ATOM 2004 CB ALA B 24 -0.273 -9.931 12.005 1.00 1.15 C ATOM 0 H ALA B 24 1.008 -11.145 10.276 1.00 0.98 H new ATOM 0 HA ALA B 24 1.780 -9.829 12.554 1.00 1.01 H new ATOM 0 HB1 ALA B 24 -0.621 -9.421 12.903 1.00 1.15 H new ATOM 0 HB2 ALA B 24 -0.150 -9.206 11.200 1.00 1.15 H new ATOM 0 HB3 ALA B 24 -1.005 -10.682 11.708 1.00 1.15 H new ATOM 2010 N ARG B 25 0.377 -12.753 13.153 1.00 0.96 N ATOM 2011 CA ARG B 25 0.198 -13.816 14.130 1.00 1.08 C ATOM 2012 C ARG B 25 1.482 -14.150 14.890 1.00 1.12 C ATOM 2013 O ARG B 25 1.396 -14.478 16.070 1.00 1.30 O ATOM 2014 CB ARG B 25 -0.416 -15.076 13.499 1.00 1.27 C ATOM 2015 CG ARG B 25 0.139 -15.388 12.108 1.00 1.74 C ATOM 2016 CD ARG B 25 -0.048 -16.859 11.723 1.00 2.21 C ATOM 2017 NE ARG B 25 1.110 -17.653 12.163 1.00 2.40 N ATOM 2018 CZ ARG B 25 1.133 -18.816 12.832 1.00 2.62 C ATOM 2019 NH1 ARG B 25 0.004 -19.422 13.213 1.00 2.93 N ATOM 2020 NH2 ARG B 25 2.320 -19.364 13.105 1.00 3.34 N ATOM 0 H ARG B 25 0.038 -12.993 12.221 1.00 0.96 H new ATOM 0 HA ARG B 25 -0.509 -13.430 14.864 1.00 1.08 H new ATOM 0 HB2 ARG B 25 -0.234 -15.928 14.155 1.00 1.27 H new ATOM 0 HB3 ARG B 25 -1.497 -14.951 13.432 1.00 1.27 H new ATOM 0 HG2 ARG B 25 -0.357 -14.756 11.371 1.00 1.74 H new ATOM 0 HG3 ARG B 25 1.200 -15.139 12.078 1.00 1.74 H new ATOM 0 HD2 ARG B 25 -0.959 -17.248 12.178 1.00 2.21 H new ATOM 0 HD3 ARG B 25 -0.169 -16.947 10.643 1.00 2.21 H new ATOM 0 HE ARG B 25 2.023 -17.265 11.926 1.00 2.40 H new ATOM 0 HH11 ARG B 25 -0.899 -19.001 12.996 1.00 2.93 H new ATOM 0 HH12 ARG B 25 0.046 -20.306 13.721 1.00 2.93 H new ATOM 0 HH21 ARG B 25 3.177 -18.899 12.806 1.00 3.34 H new ATOM 0 HH22 ARG B 25 2.369 -20.248 13.612 1.00 3.34 H new ATOM 2034 N GLN B 26 2.639 -14.142 14.220 1.00 1.05 N ATOM 2035 CA GLN B 26 3.592 -15.211 14.443 1.00 1.01 C ATOM 2036 C GLN B 26 4.042 -15.451 15.896 1.00 1.17 C ATOM 2037 O GLN B 26 3.737 -16.514 16.434 1.00 1.24 O ATOM 2038 CB GLN B 26 4.823 -14.905 13.580 1.00 0.94 C ATOM 2039 CG GLN B 26 5.453 -16.140 12.977 1.00 1.05 C ATOM 2040 CD GLN B 26 4.673 -16.638 11.770 1.00 1.23 C ATOM 2041 OE1 GLN B 26 3.791 -17.486 11.907 1.00 1.54 O ATOM 2042 NE2 GLN B 26 4.953 -16.102 10.592 1.00 1.79 N ATOM 0 H GLN B 26 2.923 -13.432 13.545 1.00 1.05 H new ATOM 0 HA GLN B 26 3.076 -16.133 14.175 1.00 1.01 H new ATOM 0 HB2 GLN B 26 4.536 -14.224 12.779 1.00 0.94 H new ATOM 0 HB3 GLN B 26 5.565 -14.387 14.188 1.00 0.94 H new ATOM 0 HG2 GLN B 26 6.478 -15.918 12.681 1.00 1.05 H new ATOM 0 HG3 GLN B 26 5.502 -16.928 13.729 1.00 1.05 H new ATOM 0 HE21 GLN B 26 5.690 -15.401 10.513 1.00 1.79 H new ATOM 0 HE22 GLN B 26 4.431 -16.390 9.764 1.00 1.79 H new ATOM 2051 N GLU B 27 4.812 -14.532 16.496 1.00 1.33 N ATOM 2052 CA GLU B 27 5.377 -14.772 17.820 1.00 1.46 C ATOM 2053 C GLU B 27 4.513 -14.236 18.962 1.00 1.44 C ATOM 2054 O GLU B 27 3.779 -14.964 19.625 1.00 1.28 O ATOM 2055 CB GLU B 27 6.764 -14.106 17.865 1.00 1.76 C ATOM 2056 CG GLU B 27 7.842 -14.804 17.035 1.00 2.17 C ATOM 2057 CD GLU B 27 9.191 -14.129 17.270 1.00 2.89 C ATOM 2058 OE1 GLU B 27 9.187 -12.899 17.496 1.00 3.14 O ATOM 2059 OE2 GLU B 27 10.205 -14.859 17.261 1.00 3.73 O ATOM 0 H GLU B 27 5.052 -13.629 16.087 1.00 1.33 H new ATOM 0 HA GLU B 27 5.435 -15.850 17.969 1.00 1.46 H new ATOM 0 HB2 GLU B 27 6.668 -13.077 17.518 1.00 1.76 H new ATOM 0 HB3 GLU B 27 7.096 -14.062 18.902 1.00 1.76 H new ATOM 0 HG2 GLU B 27 7.899 -15.858 17.308 1.00 2.17 H new ATOM 0 HG3 GLU B 27 7.583 -14.763 15.977 1.00 2.17 H new ATOM 2066 N GLY B 28 4.580 -12.914 19.144 1.00 1.89 N ATOM 2067 CA GLY B 28 3.719 -12.092 19.964 1.00 2.21 C ATOM 2068 C GLY B 28 2.557 -11.582 19.136 1.00 1.75 C ATOM 2069 O GLY B 28 2.754 -11.318 17.947 1.00 1.59 O ATOM 0 H GLY B 28 5.298 -12.358 18.680 1.00 1.89 H new ATOM 0 HA2 GLY B 28 3.348 -12.669 20.811 1.00 2.21 H new ATOM 0 HA3 GLY B 28 4.283 -11.253 20.372 1.00 2.21 H new ATOM 2073 N ARG B 29 1.429 -11.292 19.790 1.00 1.88 N ATOM 2074 CA ARG B 29 0.425 -10.322 19.367 1.00 1.80 C ATOM 2075 C ARG B 29 0.060 -10.409 17.879 1.00 1.67 C ATOM 2076 O ARG B 29 0.798 -9.922 17.003 1.00 1.45 O ATOM 2077 CB ARG B 29 0.851 -8.906 19.775 1.00 1.72 C ATOM 2078 CG ARG B 29 -0.377 -7.999 19.944 1.00 1.66 C ATOM 2079 CD ARG B 29 0.021 -6.521 20.060 1.00 1.84 C ATOM 2080 NE ARG B 29 -1.071 -5.629 19.640 1.00 2.52 N ATOM 2081 CZ ARG B 29 -2.050 -5.104 20.388 1.00 2.74 C ATOM 2082 NH1 ARG B 29 -2.125 -5.365 21.698 1.00 2.71 N ATOM 2083 NH2 ARG B 29 -2.949 -4.322 19.788 1.00 4.09 N ATOM 0 H ARG B 29 1.183 -11.750 20.668 1.00 1.88 H new ATOM 0 HA ARG B 29 -0.496 -10.577 19.891 1.00 1.80 H new ATOM 0 HB2 ARG B 29 1.413 -8.944 20.708 1.00 1.72 H new ATOM 0 HB3 ARG B 29 1.517 -8.489 19.019 1.00 1.72 H new ATOM 0 HG2 ARG B 29 -1.046 -8.130 19.094 1.00 1.66 H new ATOM 0 HG3 ARG B 29 -0.931 -8.298 20.834 1.00 1.66 H new ATOM 0 HD2 ARG B 29 0.297 -6.298 21.091 1.00 1.84 H new ATOM 0 HD3 ARG B 29 0.902 -6.332 19.446 1.00 1.84 H new ATOM 0 HE ARG B 29 -1.084 -5.378 18.651 1.00 2.52 H new ATOM 0 HH11 ARG B 29 -1.432 -5.970 22.138 1.00 2.71 H new ATOM 0 HH12 ARG B 29 -2.876 -4.959 22.257 1.00 2.71 H new ATOM 0 HH21 ARG B 29 -2.879 -4.139 18.787 1.00 4.09 H new ATOM 0 HH22 ARG B 29 -3.707 -3.907 20.330 1.00 4.09 H new ATOM 2097 N LYS B 30 -1.090 -11.033 17.609 1.00 1.88 N ATOM 2098 CA LYS B 30 -1.628 -11.236 16.274 1.00 1.90 C ATOM 2099 C LYS B 30 -2.178 -9.937 15.669 1.00 1.86 C ATOM 2100 O LYS B 30 -3.361 -9.836 15.349 1.00 2.44 O ATOM 2101 CB LYS B 30 -2.650 -12.391 16.279 1.00 2.25 C ATOM 2102 CG LYS B 30 -3.829 -12.205 17.251 1.00 2.80 C ATOM 2103 CD LYS B 30 -4.871 -13.311 17.035 1.00 2.84 C ATOM 2104 CE LYS B 30 -6.057 -13.123 17.994 1.00 3.60 C ATOM 2105 NZ LYS B 30 -7.095 -14.159 17.814 1.00 3.97 N ATOM 0 H LYS B 30 -1.686 -11.420 18.341 1.00 1.88 H new ATOM 0 HA LYS B 30 -0.813 -11.533 15.614 1.00 1.90 H new ATOM 0 HB2 LYS B 30 -3.045 -12.513 15.270 1.00 2.25 H new ATOM 0 HB3 LYS B 30 -2.131 -13.316 16.532 1.00 2.25 H new ATOM 0 HG2 LYS B 30 -3.469 -12.229 18.280 1.00 2.80 H new ATOM 0 HG3 LYS B 30 -4.287 -11.228 17.096 1.00 2.80 H new ATOM 0 HD2 LYS B 30 -5.223 -13.292 16.003 1.00 2.84 H new ATOM 0 HD3 LYS B 30 -4.414 -14.287 17.198 1.00 2.84 H new ATOM 0 HE2 LYS B 30 -5.697 -13.148 19.022 1.00 3.60 H new ATOM 0 HE3 LYS B 30 -6.498 -12.139 17.834 1.00 3.60 H new ATOM 0 HZ1 LYS B 30 -7.874 -13.990 18.482 1.00 3.97 H new ATOM 0 HZ2 LYS B 30 -7.459 -14.120 16.841 1.00 3.97 H new ATOM 0 HZ3 LYS B 30 -6.683 -15.097 17.992 1.00 3.97 H new ATOM 2119 N ASP B 31 -1.303 -8.941 15.539 1.00 1.67 N ATOM 2120 CA ASP B 31 -1.643 -7.564 15.223 1.00 1.71 C ATOM 2121 C ASP B 31 -0.391 -6.863 14.704 1.00 1.46 C ATOM 2122 O ASP B 31 -0.340 -6.437 13.557 1.00 1.57 O ATOM 2123 CB ASP B 31 -2.156 -6.888 16.501 1.00 2.10 C ATOM 2124 CG ASP B 31 -2.328 -5.387 16.352 1.00 2.48 C ATOM 2125 OD1 ASP B 31 -2.741 -4.954 15.263 1.00 2.90 O ATOM 2126 OD2 ASP B 31 -2.055 -4.699 17.364 1.00 3.71 O ATOM 0 H ASP B 31 -0.300 -9.082 15.657 1.00 1.67 H new ATOM 0 HA ASP B 31 -2.418 -7.513 14.458 1.00 1.71 H new ATOM 0 HB2 ASP B 31 -3.112 -7.331 16.781 1.00 2.10 H new ATOM 0 HB3 ASP B 31 -1.460 -7.089 17.316 1.00 2.10 H new ATOM 2131 N SER B 32 0.646 -6.788 15.539 1.00 1.32 N ATOM 2132 CA SER B 32 1.851 -6.042 15.248 1.00 1.10 C ATOM 2133 C SER B 32 2.917 -6.983 14.706 1.00 1.11 C ATOM 2134 O SER B 32 2.876 -8.197 14.979 1.00 1.13 O ATOM 2135 CB SER B 32 2.340 -5.368 16.531 1.00 1.19 C ATOM 2136 OG SER B 32 2.508 -6.346 17.543 1.00 1.96 O ATOM 0 H SER B 32 0.664 -7.253 16.447 1.00 1.32 H new ATOM 0 HA SER B 32 1.645 -5.280 14.496 1.00 1.10 H new ATOM 0 HB2 SER B 32 3.283 -4.853 16.348 1.00 1.19 H new ATOM 0 HB3 SER B 32 1.623 -4.614 16.855 1.00 1.19 H new ATOM 0 HG SER B 32 2.823 -5.915 18.365 1.00 1.96 H new ATOM 2142 N LEU B 33 3.888 -6.399 13.997 1.00 1.17 N ATOM 2143 CA LEU B 33 5.150 -7.050 13.680 1.00 1.21 C ATOM 2144 C LEU B 33 6.262 -6.417 14.508 1.00 1.15 C ATOM 2145 O LEU B 33 6.147 -5.281 14.960 1.00 1.26 O ATOM 2146 CB LEU B 33 5.467 -7.009 12.175 1.00 1.22 C ATOM 2147 CG LEU B 33 4.368 -7.629 11.302 1.00 1.23 C ATOM 2148 CD1 LEU B 33 4.774 -7.654 9.825 1.00 1.93 C ATOM 2149 CD2 LEU B 33 4.081 -9.063 11.722 1.00 2.58 C ATOM 0 H LEU B 33 3.813 -5.452 13.626 1.00 1.17 H new ATOM 0 HA LEU B 33 5.069 -8.106 13.938 1.00 1.21 H new ATOM 0 HB2 LEU B 33 5.620 -5.973 11.872 1.00 1.22 H new ATOM 0 HB3 LEU B 33 6.404 -7.536 11.994 1.00 1.22 H new ATOM 0 HG LEU B 33 3.482 -7.009 11.435 1.00 1.23 H new ATOM 0 HD11 LEU B 33 3.973 -8.099 9.235 1.00 1.93 H new ATOM 0 HD12 LEU B 33 4.956 -6.636 9.480 1.00 1.93 H new ATOM 0 HD13 LEU B 33 5.683 -8.244 9.707 1.00 1.93 H new ATOM 0 HD21 LEU B 33 3.298 -9.478 11.087 1.00 2.58 H new ATOM 0 HD22 LEU B 33 4.987 -9.660 11.619 1.00 2.58 H new ATOM 0 HD23 LEU B 33 3.752 -9.079 12.761 1.00 2.58 H new ATOM 2161 N SER B 34 7.338 -7.170 14.697 1.00 1.32 N ATOM 2162 CA SER B 34 8.611 -6.695 15.220 1.00 1.42 C ATOM 2163 C SER B 34 9.690 -7.608 14.643 1.00 1.18 C ATOM 2164 O SER B 34 9.371 -8.490 13.840 1.00 1.44 O ATOM 2165 CB SER B 34 8.622 -6.605 16.751 1.00 2.28 C ATOM 2166 OG SER B 34 9.726 -5.812 17.159 1.00 3.68 O ATOM 0 H SER B 34 7.347 -8.167 14.482 1.00 1.32 H new ATOM 0 HA SER B 34 8.801 -5.667 14.910 1.00 1.42 H new ATOM 0 HB2 SER B 34 7.691 -6.166 17.109 1.00 2.28 H new ATOM 0 HB3 SER B 34 8.693 -7.602 17.186 1.00 2.28 H new ATOM 0 HG SER B 34 9.406 -4.935 17.456 1.00 3.68 H new ATOM 2172 N VAL B 35 10.964 -7.367 14.949 1.00 1.22 N ATOM 2173 CA VAL B 35 12.055 -7.928 14.152 1.00 1.08 C ATOM 2174 C VAL B 35 12.401 -9.367 14.579 1.00 1.42 C ATOM 2175 O VAL B 35 13.559 -9.699 14.813 1.00 2.63 O ATOM 2176 CB VAL B 35 13.269 -6.971 14.155 1.00 1.62 C ATOM 2177 CG1 VAL B 35 14.238 -7.302 13.008 1.00 2.80 C ATOM 2178 CG2 VAL B 35 12.839 -5.508 13.968 1.00 2.53 C ATOM 0 H VAL B 35 11.265 -6.792 15.736 1.00 1.22 H new ATOM 0 HA VAL B 35 11.723 -8.014 13.117 1.00 1.08 H new ATOM 0 HB VAL B 35 13.753 -7.102 15.123 1.00 1.62 H new ATOM 0 HG11 VAL B 35 15.082 -6.613 13.035 1.00 2.80 H new ATOM 0 HG12 VAL B 35 14.600 -8.324 13.121 1.00 2.80 H new ATOM 0 HG13 VAL B 35 13.720 -7.204 12.054 1.00 2.80 H new ATOM 0 HG21 VAL B 35 13.720 -4.866 13.976 1.00 2.53 H new ATOM 0 HG22 VAL B 35 12.320 -5.400 13.016 1.00 2.53 H new ATOM 0 HG23 VAL B 35 12.172 -5.218 14.780 1.00 2.53 H new ATOM 2188 N ASN B 36 11.399 -10.250 14.540 1.00 0.97 N ATOM 2189 CA ASN B 36 11.529 -11.640 14.109 1.00 1.07 C ATOM 2190 C ASN B 36 10.140 -12.094 13.657 1.00 1.00 C ATOM 2191 O ASN B 36 9.566 -13.049 14.166 1.00 1.37 O ATOM 2192 CB ASN B 36 12.106 -12.542 15.209 1.00 1.42 C ATOM 2193 CG ASN B 36 12.436 -13.919 14.634 1.00 1.64 C ATOM 2194 OD1 ASN B 36 13.135 -14.012 13.627 1.00 1.86 O ATOM 2195 ND2 ASN B 36 11.967 -14.997 15.247 1.00 2.25 N ATOM 0 H ASN B 36 10.448 -10.007 14.816 1.00 0.97 H new ATOM 0 HA ASN B 36 12.241 -11.717 13.288 1.00 1.07 H new ATOM 0 HB2 ASN B 36 13.004 -12.089 15.629 1.00 1.42 H new ATOM 0 HB3 ASN B 36 11.388 -12.641 16.024 1.00 1.42 H new ATOM 0 HD21 ASN B 36 12.185 -15.925 14.884 1.00 2.25 H new ATOM 0 HD22 ASN B 36 11.389 -14.898 16.081 1.00 2.25 H new ATOM 2202 N GLU B 37 9.597 -11.340 12.701 1.00 0.91 N ATOM 2203 CA GLU B 37 8.199 -11.362 12.287 1.00 0.94 C ATOM 2204 C GLU B 37 8.088 -10.451 11.072 1.00 0.91 C ATOM 2205 O GLU B 37 7.610 -10.835 10.011 1.00 1.08 O ATOM 2206 CB GLU B 37 7.292 -10.838 13.420 1.00 1.25 C ATOM 2207 CG GLU B 37 6.267 -11.895 13.826 1.00 1.04 C ATOM 2208 CD GLU B 37 5.261 -11.365 14.843 1.00 1.22 C ATOM 2209 OE1 GLU B 37 5.126 -10.144 15.061 1.00 1.74 O ATOM 2210 OE2 GLU B 37 4.422 -12.103 15.398 1.00 1.74 O ATOM 0 H GLU B 37 10.149 -10.666 12.170 1.00 0.91 H new ATOM 0 HA GLU B 37 7.881 -12.378 12.052 1.00 0.94 H new ATOM 0 HB2 GLU B 37 7.900 -10.565 14.282 1.00 1.25 H new ATOM 0 HB3 GLU B 37 6.779 -9.934 13.093 1.00 1.25 H new ATOM 0 HG2 GLU B 37 5.736 -12.242 12.940 1.00 1.04 H new ATOM 0 HG3 GLU B 37 6.785 -12.758 14.246 1.00 1.04 H new ATOM 2217 N PHE B 38 8.591 -9.223 11.227 1.00 0.86 N ATOM 2218 CA PHE B 38 8.783 -8.339 10.097 1.00 0.85 C ATOM 2219 C PHE B 38 9.775 -8.980 9.128 1.00 0.78 C ATOM 2220 O PHE B 38 9.499 -9.118 7.938 1.00 0.84 O ATOM 2221 CB PHE B 38 9.252 -6.955 10.560 1.00 0.87 C ATOM 2222 CG PHE B 38 9.052 -5.920 9.477 1.00 0.78 C ATOM 2223 CD1 PHE B 38 9.892 -5.919 8.348 1.00 1.83 C ATOM 2224 CD2 PHE B 38 7.855 -5.182 9.452 1.00 2.14 C ATOM 2225 CE1 PHE B 38 9.493 -5.263 7.172 1.00 2.02 C ATOM 2226 CE2 PHE B 38 7.502 -4.456 8.306 1.00 2.17 C ATOM 2227 CZ PHE B 38 8.285 -4.548 7.147 1.00 1.22 C ATOM 0 H PHE B 38 8.869 -8.828 12.126 1.00 0.86 H new ATOM 0 HA PHE B 38 7.835 -8.192 9.580 1.00 0.85 H new ATOM 0 HB2 PHE B 38 8.701 -6.661 11.454 1.00 0.87 H new ATOM 0 HB3 PHE B 38 10.306 -6.998 10.835 1.00 0.87 H new ATOM 0 HD1 PHE B 38 10.846 -6.424 8.386 1.00 1.83 H new ATOM 0 HD2 PHE B 38 7.207 -5.175 10.316 1.00 2.14 H new ATOM 0 HE1 PHE B 38 10.114 -5.308 6.289 1.00 2.02 H new ATOM 0 HE2 PHE B 38 6.626 -3.825 8.316 1.00 2.17 H new ATOM 0 HZ PHE B 38 7.959 -4.069 6.235 1.00 1.22 H new ATOM 2237 N LYS B 39 10.947 -9.372 9.643 1.00 0.71 N ATOM 2238 CA LYS B 39 12.009 -9.884 8.793 1.00 0.75 C ATOM 2239 C LYS B 39 11.536 -11.104 7.994 1.00 0.75 C ATOM 2240 O LYS B 39 11.857 -11.223 6.812 1.00 0.83 O ATOM 2241 CB LYS B 39 13.309 -10.112 9.580 1.00 0.78 C ATOM 2242 CG LYS B 39 14.501 -10.254 8.612 1.00 0.89 C ATOM 2243 CD LYS B 39 15.822 -9.751 9.224 1.00 1.40 C ATOM 2244 CE LYS B 39 16.874 -9.586 8.111 1.00 1.83 C ATOM 2245 NZ LYS B 39 18.096 -8.870 8.545 1.00 2.80 N ATOM 0 H LYS B 39 11.175 -9.342 10.637 1.00 0.71 H new ATOM 0 HA LYS B 39 12.257 -9.123 8.053 1.00 0.75 H new ATOM 0 HB2 LYS B 39 13.481 -9.278 10.261 1.00 0.78 H new ATOM 0 HB3 LYS B 39 13.219 -11.010 10.192 1.00 0.78 H new ATOM 0 HG2 LYS B 39 14.611 -11.301 8.328 1.00 0.89 H new ATOM 0 HG3 LYS B 39 14.292 -9.696 7.699 1.00 0.89 H new ATOM 0 HD2 LYS B 39 15.661 -8.800 9.731 1.00 1.40 H new ATOM 0 HD3 LYS B 39 16.179 -10.456 9.975 1.00 1.40 H new ATOM 0 HE2 LYS B 39 17.154 -10.572 7.740 1.00 1.83 H new ATOM 0 HE3 LYS B 39 16.425 -9.047 7.277 1.00 1.83 H new ATOM 0 HZ1 LYS B 39 18.417 -8.238 7.784 1.00 2.80 H new ATOM 0 HZ2 LYS B 39 17.886 -8.309 9.395 1.00 2.80 H new ATOM 0 HZ3 LYS B 39 18.844 -9.559 8.761 1.00 2.80 H new ATOM 2259 N GLU B 40 10.707 -11.960 8.603 1.00 0.72 N ATOM 2260 CA GLU B 40 10.072 -13.073 7.912 1.00 0.77 C ATOM 2261 C GLU B 40 9.443 -12.662 6.577 1.00 0.78 C ATOM 2262 O GLU B 40 9.493 -13.439 5.629 1.00 0.79 O ATOM 2263 CB GLU B 40 8.993 -13.720 8.784 1.00 0.93 C ATOM 2264 CG GLU B 40 9.517 -14.431 10.033 1.00 1.02 C ATOM 2265 CD GLU B 40 8.378 -15.211 10.679 1.00 2.12 C ATOM 2266 OE1 GLU B 40 7.237 -14.699 10.621 1.00 3.49 O ATOM 2267 OE2 GLU B 40 8.643 -16.328 11.168 1.00 2.55 O ATOM 0 H GLU B 40 10.461 -11.895 9.591 1.00 0.72 H new ATOM 0 HA GLU B 40 10.869 -13.789 7.709 1.00 0.77 H new ATOM 0 HB2 GLU B 40 8.285 -12.951 9.092 1.00 0.93 H new ATOM 0 HB3 GLU B 40 8.440 -14.439 8.179 1.00 0.93 H new ATOM 0 HG2 GLU B 40 10.331 -15.105 9.768 1.00 1.02 H new ATOM 0 HG3 GLU B 40 9.922 -13.704 10.737 1.00 1.02 H new ATOM 2274 N LEU B 41 8.854 -11.466 6.478 1.00 0.81 N ATOM 2275 CA LEU B 41 8.155 -11.048 5.273 1.00 0.84 C ATOM 2276 C LEU B 41 9.187 -10.905 4.162 1.00 0.76 C ATOM 2277 O LEU B 41 9.041 -11.492 3.091 1.00 0.75 O ATOM 2278 CB LEU B 41 7.364 -9.759 5.561 1.00 0.92 C ATOM 2279 CG LEU B 41 6.382 -9.292 4.464 1.00 0.99 C ATOM 2280 CD1 LEU B 41 5.458 -8.225 5.066 1.00 2.48 C ATOM 2281 CD2 LEU B 41 7.097 -8.690 3.250 1.00 1.89 C ATOM 0 H LEU B 41 8.851 -10.772 7.225 1.00 0.81 H new ATOM 0 HA LEU B 41 7.419 -11.783 4.946 1.00 0.84 H new ATOM 0 HB2 LEU B 41 6.801 -9.903 6.483 1.00 0.92 H new ATOM 0 HB3 LEU B 41 8.077 -8.955 5.745 1.00 0.92 H new ATOM 0 HG LEU B 41 5.827 -10.164 4.120 1.00 0.99 H new ATOM 0 HD11 LEU B 41 4.756 -7.881 4.306 1.00 2.48 H new ATOM 0 HD12 LEU B 41 4.906 -8.652 5.904 1.00 2.48 H new ATOM 0 HD13 LEU B 41 6.055 -7.383 5.416 1.00 2.48 H new ATOM 0 HD21 LEU B 41 6.359 -8.379 2.511 1.00 1.89 H new ATOM 0 HD22 LEU B 41 7.683 -7.826 3.564 1.00 1.89 H new ATOM 0 HD23 LEU B 41 7.759 -9.436 2.810 1.00 1.89 H new ATOM 2293 N VAL B 42 10.261 -10.160 4.434 1.00 0.72 N ATOM 2294 CA VAL B 42 11.276 -9.886 3.430 1.00 0.65 C ATOM 2295 C VAL B 42 12.014 -11.174 3.076 1.00 0.62 C ATOM 2296 O VAL B 42 12.187 -11.492 1.901 1.00 0.63 O ATOM 2297 CB VAL B 42 12.197 -8.726 3.840 1.00 0.64 C ATOM 2298 CG1 VAL B 42 11.436 -7.396 3.776 1.00 0.67 C ATOM 2299 CG2 VAL B 42 12.852 -8.859 5.213 1.00 0.64 C ATOM 0 H VAL B 42 10.445 -9.738 5.344 1.00 0.72 H new ATOM 0 HA VAL B 42 10.792 -9.537 2.518 1.00 0.65 H new ATOM 0 HB VAL B 42 13.012 -8.757 3.117 1.00 0.64 H new ATOM 0 HG11 VAL B 42 12.100 -6.583 4.069 1.00 0.67 H new ATOM 0 HG12 VAL B 42 11.083 -7.228 2.759 1.00 0.67 H new ATOM 0 HG13 VAL B 42 10.584 -7.431 4.455 1.00 0.67 H new ATOM 0 HG21 VAL B 42 13.480 -7.988 5.402 1.00 0.64 H new ATOM 0 HG22 VAL B 42 12.080 -8.923 5.980 1.00 0.64 H new ATOM 0 HG23 VAL B 42 13.464 -9.760 5.238 1.00 0.64 H new ATOM 2309 N THR B 43 12.406 -11.937 4.094 1.00 0.65 N ATOM 2310 CA THR B 43 13.052 -13.223 3.938 1.00 0.70 C ATOM 2311 C THR B 43 12.205 -14.179 3.086 1.00 0.73 C ATOM 2312 O THR B 43 12.725 -14.781 2.150 1.00 0.77 O ATOM 2313 CB THR B 43 13.340 -13.757 5.346 1.00 0.76 C ATOM 2314 OG1 THR B 43 14.217 -12.858 5.999 1.00 0.74 O ATOM 2315 CG2 THR B 43 13.985 -15.146 5.337 1.00 0.86 C ATOM 0 H THR B 43 12.277 -11.666 5.069 1.00 0.65 H new ATOM 0 HA THR B 43 13.991 -13.127 3.392 1.00 0.70 H new ATOM 0 HB THR B 43 12.385 -13.843 5.864 1.00 0.76 H new ATOM 0 HG1 THR B 43 13.697 -12.142 6.421 1.00 0.74 H new ATOM 0 HG21 THR B 43 14.165 -15.470 6.362 1.00 0.86 H new ATOM 0 HG22 THR B 43 13.318 -15.854 4.844 1.00 0.86 H new ATOM 0 HG23 THR B 43 14.932 -15.104 4.798 1.00 0.86 H new ATOM 2323 N GLN B 44 10.918 -14.346 3.410 1.00 0.78 N ATOM 2324 CA GLN B 44 10.067 -15.315 2.737 1.00 0.89 C ATOM 2325 C GLN B 44 9.649 -14.814 1.353 1.00 0.96 C ATOM 2326 O GLN B 44 9.875 -15.482 0.348 1.00 1.00 O ATOM 2327 CB GLN B 44 8.825 -15.578 3.609 1.00 1.10 C ATOM 2328 CG GLN B 44 7.896 -16.643 3.004 1.00 1.44 C ATOM 2329 CD GLN B 44 6.516 -16.587 3.645 1.00 1.99 C ATOM 2330 OE1 GLN B 44 5.536 -16.219 3.000 1.00 3.28 O ATOM 2331 NE2 GLN B 44 6.437 -16.909 4.932 1.00 1.51 N ATOM 0 H GLN B 44 10.446 -13.814 4.141 1.00 0.78 H new ATOM 0 HA GLN B 44 10.624 -16.241 2.597 1.00 0.89 H new ATOM 0 HB2 GLN B 44 9.143 -15.899 4.601 1.00 1.10 H new ATOM 0 HB3 GLN B 44 8.271 -14.648 3.737 1.00 1.10 H new ATOM 0 HG2 GLN B 44 7.809 -16.487 1.929 1.00 1.44 H new ATOM 0 HG3 GLN B 44 8.329 -17.633 3.148 1.00 1.44 H new ATOM 0 HE21 GLN B 44 7.272 -17.210 5.435 1.00 1.51 H new ATOM 0 HE22 GLN B 44 5.541 -16.855 5.417 1.00 1.51 H new ATOM 2340 N GLN B 45 8.933 -13.688 1.317 1.00 1.05 N ATOM 2341 CA GLN B 45 8.081 -13.359 0.185 1.00 1.14 C ATOM 2342 C GLN B 45 8.852 -12.750 -0.977 1.00 1.10 C ATOM 2343 O GLN B 45 8.590 -13.092 -2.125 1.00 1.18 O ATOM 2344 CB GLN B 45 6.967 -12.407 0.624 1.00 1.33 C ATOM 2345 CG GLN B 45 5.837 -13.148 1.355 1.00 1.58 C ATOM 2346 CD GLN B 45 4.829 -13.779 0.391 1.00 1.92 C ATOM 2347 OE1 GLN B 45 4.550 -13.217 -0.665 1.00 3.42 O ATOM 2348 NE2 GLN B 45 4.265 -14.929 0.744 1.00 1.94 N ATOM 0 H GLN B 45 8.930 -12.992 2.062 1.00 1.05 H new ATOM 0 HA GLN B 45 7.652 -14.296 -0.170 1.00 1.14 H new ATOM 0 HB2 GLN B 45 7.381 -11.640 1.278 1.00 1.33 H new ATOM 0 HB3 GLN B 45 6.561 -11.896 -0.249 1.00 1.33 H new ATOM 0 HG2 GLN B 45 6.266 -13.926 1.987 1.00 1.58 H new ATOM 0 HG3 GLN B 45 5.318 -12.452 2.014 1.00 1.58 H new ATOM 0 HE21 GLN B 45 4.518 -15.371 1.628 1.00 1.94 H new ATOM 0 HE22 GLN B 45 3.579 -15.370 0.131 1.00 1.94 H new ATOM 2357 N LEU B 46 9.725 -11.785 -0.694 1.00 1.03 N ATOM 2358 CA LEU B 46 10.247 -10.866 -1.704 1.00 1.03 C ATOM 2359 C LEU B 46 10.943 -11.611 -2.850 1.00 1.10 C ATOM 2360 O LEU B 46 10.863 -11.186 -4.002 1.00 1.45 O ATOM 2361 CB LEU B 46 11.153 -9.829 -1.028 1.00 1.27 C ATOM 2362 CG LEU B 46 10.404 -8.663 -0.350 1.00 1.09 C ATOM 2363 CD1 LEU B 46 10.056 -7.574 -1.363 1.00 2.09 C ATOM 2364 CD2 LEU B 46 9.100 -9.046 0.363 1.00 1.36 C ATOM 0 H LEU B 46 10.091 -11.618 0.243 1.00 1.03 H new ATOM 0 HA LEU B 46 9.416 -10.336 -2.169 1.00 1.03 H new ATOM 0 HB2 LEU B 46 11.765 -10.334 -0.280 1.00 1.27 H new ATOM 0 HB3 LEU B 46 11.834 -9.420 -1.774 1.00 1.27 H new ATOM 0 HG LEU B 46 11.107 -8.316 0.407 1.00 1.09 H new ATOM 0 HD11 LEU B 46 9.529 -6.764 -0.859 1.00 2.09 H new ATOM 0 HD12 LEU B 46 10.972 -7.188 -1.811 1.00 2.09 H new ATOM 0 HD13 LEU B 46 9.419 -7.992 -2.142 1.00 2.09 H new ATOM 0 HD21 LEU B 46 8.652 -8.156 0.806 1.00 1.36 H new ATOM 0 HD22 LEU B 46 8.406 -9.482 -0.356 1.00 1.36 H new ATOM 0 HD23 LEU B 46 9.314 -9.773 1.147 1.00 1.36 H new ATOM 2376 N PRO B 47 11.648 -12.707 -2.543 1.00 1.16 N ATOM 2377 CA PRO B 47 13.017 -12.576 -2.071 1.00 1.18 C ATOM 2378 C PRO B 47 13.754 -11.565 -2.960 1.00 1.07 C ATOM 2379 O PRO B 47 14.250 -10.549 -2.482 1.00 1.42 O ATOM 2380 CB PRO B 47 13.645 -13.978 -2.162 1.00 1.44 C ATOM 2381 CG PRO B 47 12.488 -14.905 -2.542 1.00 1.70 C ATOM 2382 CD PRO B 47 11.499 -13.974 -3.235 1.00 1.65 C ATOM 0 HA PRO B 47 13.074 -12.211 -1.045 1.00 1.18 H new ATOM 0 HB2 PRO B 47 14.437 -14.008 -2.910 1.00 1.44 H new ATOM 0 HB3 PRO B 47 14.092 -14.273 -1.213 1.00 1.44 H new ATOM 0 HG2 PRO B 47 12.816 -15.706 -3.204 1.00 1.70 H new ATOM 0 HG3 PRO B 47 12.047 -15.377 -1.664 1.00 1.70 H new ATOM 0 HD2 PRO B 47 11.724 -13.875 -4.297 1.00 1.65 H new ATOM 0 HD3 PRO B 47 10.479 -14.351 -3.159 1.00 1.65 H new ATOM 2390 N HIS B 48 13.783 -11.838 -4.269 1.00 1.14 N ATOM 2391 CA HIS B 48 14.494 -11.064 -5.271 1.00 1.13 C ATOM 2392 C HIS B 48 14.098 -9.583 -5.260 1.00 1.08 C ATOM 2393 O HIS B 48 14.966 -8.721 -5.421 1.00 1.70 O ATOM 2394 CB HIS B 48 14.266 -11.686 -6.657 1.00 1.14 C ATOM 2395 CG HIS B 48 15.194 -11.166 -7.733 1.00 1.34 C ATOM 2396 ND1 HIS B 48 15.741 -9.903 -7.807 1.00 2.26 N ATOM 2397 CD2 HIS B 48 15.657 -11.875 -8.809 1.00 2.26 C ATOM 2398 CE1 HIS B 48 16.516 -9.859 -8.904 1.00 2.14 C ATOM 2399 NE2 HIS B 48 16.503 -11.038 -9.544 1.00 2.12 N ATOM 0 H HIS B 48 13.290 -12.637 -4.667 1.00 1.14 H new ATOM 0 HA HIS B 48 15.556 -11.097 -5.028 1.00 1.13 H new ATOM 0 HB2 HIS B 48 14.386 -12.767 -6.581 1.00 1.14 H new ATOM 0 HB3 HIS B 48 13.236 -11.500 -6.961 1.00 1.14 H new ATOM 0 HD1 HIS B 48 15.586 -9.140 -7.148 1.00 2.26 H new ATOM 0 HD2 HIS B 48 15.412 -12.899 -9.048 1.00 2.26 H new ATOM 0 HE1 HIS B 48 17.074 -8.992 -9.227 1.00 2.14 H new ATOM 2407 N LEU B 49 12.802 -9.279 -5.135 1.00 0.86 N ATOM 2408 CA LEU B 49 12.299 -7.924 -5.335 1.00 0.81 C ATOM 2409 C LEU B 49 13.089 -6.921 -4.483 1.00 0.85 C ATOM 2410 O LEU B 49 13.576 -5.905 -4.987 1.00 0.96 O ATOM 2411 CB LEU B 49 10.792 -7.898 -5.049 1.00 0.73 C ATOM 2412 CG LEU B 49 10.127 -6.553 -5.380 1.00 0.69 C ATOM 2413 CD1 LEU B 49 10.126 -6.280 -6.886 1.00 0.78 C ATOM 2414 CD2 LEU B 49 8.669 -6.570 -4.923 1.00 0.75 C ATOM 0 H LEU B 49 12.082 -9.960 -4.895 1.00 0.86 H new ATOM 0 HA LEU B 49 12.444 -7.619 -6.371 1.00 0.81 H new ATOM 0 HB2 LEU B 49 10.307 -8.685 -5.626 1.00 0.73 H new ATOM 0 HB3 LEU B 49 10.626 -8.127 -3.996 1.00 0.73 H new ATOM 0 HG LEU B 49 10.698 -5.779 -4.867 1.00 0.69 H new ATOM 0 HD11 LEU B 49 9.648 -5.320 -7.081 1.00 0.78 H new ATOM 0 HD12 LEU B 49 11.152 -6.255 -7.252 1.00 0.78 H new ATOM 0 HD13 LEU B 49 9.577 -7.070 -7.399 1.00 0.78 H new ATOM 0 HD21 LEU B 49 8.202 -5.614 -5.160 1.00 0.75 H new ATOM 0 HD22 LEU B 49 8.136 -7.371 -5.436 1.00 0.75 H new ATOM 0 HD23 LEU B 49 8.627 -6.737 -3.847 1.00 0.75 H new ATOM 2426 N LEU B 50 13.278 -7.256 -3.203 1.00 1.02 N ATOM 2427 CA LEU B 50 14.254 -6.647 -2.307 1.00 1.17 C ATOM 2428 C LEU B 50 15.292 -7.694 -1.915 1.00 1.26 C ATOM 2429 O LEU B 50 15.399 -8.060 -0.748 1.00 1.64 O ATOM 2430 CB LEU B 50 13.573 -6.075 -1.054 1.00 1.24 C ATOM 2431 CG LEU B 50 12.674 -4.875 -1.360 1.00 1.04 C ATOM 2432 CD1 LEU B 50 11.853 -4.530 -0.111 1.00 1.22 C ATOM 2433 CD2 LEU B 50 13.488 -3.637 -1.751 1.00 1.50 C ATOM 0 H LEU B 50 12.732 -7.988 -2.749 1.00 1.02 H new ATOM 0 HA LEU B 50 14.742 -5.821 -2.824 1.00 1.17 H new ATOM 0 HB2 LEU B 50 12.979 -6.857 -0.581 1.00 1.24 H new ATOM 0 HB3 LEU B 50 14.337 -5.777 -0.336 1.00 1.24 H new ATOM 0 HG LEU B 50 12.031 -5.149 -2.196 1.00 1.04 H new ATOM 0 HD11 LEU B 50 11.210 -3.675 -0.323 1.00 1.22 H new ATOM 0 HD12 LEU B 50 11.239 -5.386 0.168 1.00 1.22 H new ATOM 0 HD13 LEU B 50 12.526 -4.283 0.710 1.00 1.22 H new ATOM 0 HD21 LEU B 50 12.812 -2.808 -1.960 1.00 1.50 H new ATOM 0 HD22 LEU B 50 14.153 -3.365 -0.931 1.00 1.50 H new ATOM 0 HD23 LEU B 50 14.079 -3.856 -2.640 1.00 1.50 H new ATOM 2445 N LYS B 51 16.134 -8.104 -2.867 1.00 1.79 N ATOM 2446 CA LYS B 51 17.210 -9.078 -2.625 1.00 2.16 C ATOM 2447 C LYS B 51 18.273 -8.659 -1.587 1.00 2.36 C ATOM 2448 O LYS B 51 19.288 -9.340 -1.462 1.00 4.22 O ATOM 2449 CB LYS B 51 17.866 -9.519 -3.948 1.00 2.90 C ATOM 2450 CG LYS B 51 18.971 -8.606 -4.499 1.00 3.43 C ATOM 2451 CD LYS B 51 18.502 -7.162 -4.722 1.00 3.27 C ATOM 2452 CE LYS B 51 19.594 -6.310 -5.384 1.00 3.93 C ATOM 2453 NZ LYS B 51 20.813 -6.213 -4.552 1.00 4.97 N ATOM 0 H LYS B 51 16.092 -7.771 -3.830 1.00 1.79 H new ATOM 0 HA LYS B 51 16.707 -9.928 -2.165 1.00 2.16 H new ATOM 0 HB2 LYS B 51 18.285 -10.515 -3.806 1.00 2.90 H new ATOM 0 HB3 LYS B 51 17.086 -9.606 -4.704 1.00 2.90 H new ATOM 0 HG2 LYS B 51 19.813 -8.606 -3.807 1.00 3.43 H new ATOM 0 HG3 LYS B 51 19.334 -9.014 -5.442 1.00 3.43 H new ATOM 0 HD2 LYS B 51 17.609 -7.161 -5.348 1.00 3.27 H new ATOM 0 HD3 LYS B 51 18.222 -6.718 -3.767 1.00 3.27 H new ATOM 0 HE2 LYS B 51 19.851 -6.741 -6.352 1.00 3.93 H new ATOM 0 HE3 LYS B 51 19.206 -5.309 -5.574 1.00 3.93 H new ATOM 0 HZ1 LYS B 51 21.474 -5.535 -4.982 1.00 4.97 H new ATOM 0 HZ2 LYS B 51 20.557 -5.889 -3.598 1.00 4.97 H new ATOM 0 HZ3 LYS B 51 21.267 -7.147 -4.490 1.00 4.97 H new ATOM 2467 N ASP B 52 18.075 -7.557 -0.858 1.00 1.44 N ATOM 2468 CA ASP B 52 18.805 -7.248 0.357 1.00 1.48 C ATOM 2469 C ASP B 52 17.819 -7.523 1.481 1.00 1.39 C ATOM 2470 O ASP B 52 17.060 -6.649 1.896 1.00 1.99 O ATOM 2471 CB ASP B 52 19.289 -5.797 0.382 1.00 1.77 C ATOM 2472 CG ASP B 52 19.880 -5.418 1.743 1.00 2.27 C ATOM 2473 OD1 ASP B 52 20.073 -6.324 2.591 1.00 3.22 O ATOM 2474 OD2 ASP B 52 20.141 -4.212 1.911 1.00 3.33 O ATOM 0 H ASP B 52 17.388 -6.846 -1.108 1.00 1.44 H new ATOM 0 HA ASP B 52 19.710 -7.849 0.446 1.00 1.48 H new ATOM 0 HB2 ASP B 52 20.040 -5.651 -0.394 1.00 1.77 H new ATOM 0 HB3 ASP B 52 18.457 -5.132 0.149 1.00 1.77 H new ATOM 2479 N VAL B 53 17.837 -8.765 1.952 1.00 1.04 N ATOM 2480 CA VAL B 53 17.182 -9.142 3.190 1.00 1.01 C ATOM 2481 C VAL B 53 18.200 -9.060 4.338 1.00 1.35 C ATOM 2482 O VAL B 53 17.956 -9.583 5.425 1.00 1.66 O ATOM 2483 CB VAL B 53 16.529 -10.525 3.021 1.00 1.07 C ATOM 2484 CG1 VAL B 53 15.555 -10.525 1.834 1.00 1.36 C ATOM 2485 CG2 VAL B 53 17.549 -11.657 2.837 1.00 1.66 C ATOM 0 H VAL B 53 18.309 -9.537 1.482 1.00 1.04 H new ATOM 0 HA VAL B 53 16.374 -8.456 3.443 1.00 1.01 H new ATOM 0 HB VAL B 53 15.990 -10.716 3.949 1.00 1.07 H new ATOM 0 HG11 VAL B 53 15.105 -11.512 1.733 1.00 1.36 H new ATOM 0 HG12 VAL B 53 14.773 -9.785 2.005 1.00 1.36 H new ATOM 0 HG13 VAL B 53 16.095 -10.277 0.920 1.00 1.36 H new ATOM 0 HG21 VAL B 53 17.024 -12.605 2.723 1.00 1.66 H new ATOM 0 HG22 VAL B 53 18.149 -11.465 1.947 1.00 1.66 H new ATOM 0 HG23 VAL B 53 18.200 -11.705 3.710 1.00 1.66 H new ATOM 2495 N GLY B 54 19.344 -8.403 4.115 1.00 1.69 N ATOM 2496 CA GLY B 54 20.357 -8.191 5.120 1.00 2.28 C ATOM 2497 C GLY B 54 19.946 -6.972 5.927 1.00 2.01 C ATOM 2498 O GLY B 54 19.472 -7.133 7.058 1.00 2.32 O ATOM 0 H GLY B 54 19.583 -8.001 3.208 1.00 1.69 H new ATOM 0 HA2 GLY B 54 20.448 -9.065 5.764 1.00 2.28 H new ATOM 0 HA3 GLY B 54 21.331 -8.034 4.656 1.00 2.28 H new ATOM 2502 N SER B 55 20.083 -5.783 5.329 1.00 1.63 N ATOM 2503 CA SER B 55 19.961 -4.495 6.009 1.00 1.56 C ATOM 2504 C SER B 55 18.499 -4.086 6.209 1.00 1.32 C ATOM 2505 O SER B 55 18.063 -3.004 5.817 1.00 1.42 O ATOM 2506 CB SER B 55 20.762 -3.428 5.257 1.00 1.75 C ATOM 2507 OG SER B 55 22.127 -3.808 5.225 1.00 2.64 O ATOM 0 H SER B 55 20.287 -5.691 4.334 1.00 1.63 H new ATOM 0 HA SER B 55 20.383 -4.595 7.009 1.00 1.56 H new ATOM 0 HB2 SER B 55 20.379 -3.316 4.243 1.00 1.75 H new ATOM 0 HB3 SER B 55 20.653 -2.461 5.747 1.00 1.75 H new ATOM 0 HG SER B 55 22.644 -3.129 4.743 1.00 2.64 H new ATOM 2513 N LEU B 56 17.727 -4.976 6.832 1.00 1.16 N ATOM 2514 CA LEU B 56 16.330 -4.785 7.135 1.00 1.02 C ATOM 2515 C LEU B 56 16.190 -3.673 8.175 1.00 1.06 C ATOM 2516 O LEU B 56 15.313 -2.834 8.045 1.00 1.10 O ATOM 2517 CB LEU B 56 15.788 -6.152 7.576 1.00 0.99 C ATOM 2518 CG LEU B 56 14.285 -6.248 7.851 1.00 0.94 C ATOM 2519 CD1 LEU B 56 13.938 -5.750 9.256 1.00 1.12 C ATOM 2520 CD2 LEU B 56 13.480 -5.528 6.770 1.00 0.84 C ATOM 0 H LEU B 56 18.081 -5.879 7.146 1.00 1.16 H new ATOM 0 HA LEU B 56 15.739 -4.452 6.282 1.00 1.02 H new ATOM 0 HB2 LEU B 56 16.038 -6.880 6.805 1.00 0.99 H new ATOM 0 HB3 LEU B 56 16.318 -6.451 8.481 1.00 0.99 H new ATOM 0 HG LEU B 56 14.005 -7.301 7.813 1.00 0.94 H new ATOM 0 HD11 LEU B 56 12.863 -5.833 9.416 1.00 1.12 H new ATOM 0 HD12 LEU B 56 14.463 -6.354 9.996 1.00 1.12 H new ATOM 0 HD13 LEU B 56 14.241 -4.708 9.358 1.00 1.12 H new ATOM 0 HD21 LEU B 56 12.416 -5.613 6.991 1.00 0.84 H new ATOM 0 HD22 LEU B 56 13.763 -4.476 6.746 1.00 0.84 H new ATOM 0 HD23 LEU B 56 13.686 -5.981 5.800 1.00 0.84 H new ATOM 2532 N ASP B 57 17.074 -3.650 9.173 1.00 1.15 N ATOM 2533 CA ASP B 57 17.330 -2.547 10.104 1.00 1.38 C ATOM 2534 C ASP B 57 17.063 -1.150 9.516 1.00 1.35 C ATOM 2535 O ASP B 57 16.150 -0.465 9.981 1.00 1.36 O ATOM 2536 CB ASP B 57 18.780 -2.663 10.597 1.00 1.81 C ATOM 2537 CG ASP B 57 19.681 -3.108 9.458 1.00 2.86 C ATOM 2538 OD1 ASP B 57 19.751 -4.347 9.295 1.00 3.08 O ATOM 2539 OD2 ASP B 57 20.099 -2.232 8.672 1.00 4.25 O ATOM 0 H ASP B 57 17.671 -4.454 9.367 1.00 1.15 H new ATOM 0 HA ASP B 57 16.624 -2.642 10.929 1.00 1.38 H new ATOM 0 HB2 ASP B 57 19.119 -1.703 10.986 1.00 1.81 H new ATOM 0 HB3 ASP B 57 18.838 -3.378 11.418 1.00 1.81 H new ATOM 2544 N GLU B 58 17.844 -0.706 8.522 1.00 1.39 N ATOM 2545 CA GLU B 58 17.622 0.583 7.861 1.00 1.41 C ATOM 2546 C GLU B 58 16.146 0.733 7.489 1.00 1.23 C ATOM 2547 O GLU B 58 15.485 1.722 7.827 1.00 1.25 O ATOM 2548 CB GLU B 58 18.504 0.723 6.607 1.00 1.55 C ATOM 2549 CG GLU B 58 18.223 2.055 5.885 1.00 2.16 C ATOM 2550 CD GLU B 58 19.042 2.221 4.612 1.00 2.24 C ATOM 2551 OE1 GLU B 58 20.270 2.406 4.748 1.00 2.86 O ATOM 2552 OE2 GLU B 58 18.415 2.186 3.529 1.00 2.46 O ATOM 0 H GLU B 58 18.641 -1.227 8.157 1.00 1.39 H new ATOM 0 HA GLU B 58 17.898 1.375 8.557 1.00 1.41 H new ATOM 0 HB2 GLU B 58 19.556 0.672 6.889 1.00 1.55 H new ATOM 0 HB3 GLU B 58 18.315 -0.110 5.930 1.00 1.55 H new ATOM 0 HG2 GLU B 58 17.163 2.113 5.639 1.00 2.16 H new ATOM 0 HG3 GLU B 58 18.439 2.882 6.561 1.00 2.16 H new ATOM 2559 N LYS B 59 15.619 -0.264 6.778 1.00 1.10 N ATOM 2560 CA LYS B 59 14.235 -0.268 6.382 1.00 0.95 C ATOM 2561 C LYS B 59 13.311 -0.200 7.603 1.00 0.89 C ATOM 2562 O LYS B 59 12.312 0.500 7.538 1.00 0.93 O ATOM 2563 CB LYS B 59 13.957 -1.467 5.469 1.00 0.94 C ATOM 2564 CG LYS B 59 12.783 -1.213 4.519 1.00 1.80 C ATOM 2565 CD LYS B 59 13.192 -0.619 3.161 1.00 2.24 C ATOM 2566 CE LYS B 59 13.833 0.778 3.213 1.00 3.06 C ATOM 2567 NZ LYS B 59 13.863 1.432 1.886 1.00 4.35 N ATOM 0 H LYS B 59 16.146 -1.081 6.468 1.00 1.10 H new ATOM 0 HA LYS B 59 14.019 0.629 5.801 1.00 0.95 H new ATOM 0 HB2 LYS B 59 14.850 -1.693 4.887 1.00 0.94 H new ATOM 0 HB3 LYS B 59 13.744 -2.344 6.080 1.00 0.94 H new ATOM 0 HG2 LYS B 59 12.257 -2.153 4.349 1.00 1.80 H new ATOM 0 HG3 LYS B 59 12.078 -0.536 5.002 1.00 1.80 H new ATOM 0 HD2 LYS B 59 13.892 -1.303 2.682 1.00 2.24 H new ATOM 0 HD3 LYS B 59 12.308 -0.570 2.525 1.00 2.24 H new ATOM 0 HE2 LYS B 59 13.278 1.404 3.912 1.00 3.06 H new ATOM 0 HE3 LYS B 59 14.849 0.695 3.598 1.00 3.06 H new ATOM 0 HZ1 LYS B 59 14.349 2.348 1.961 1.00 4.35 H new ATOM 0 HZ2 LYS B 59 14.371 0.825 1.211 1.00 4.35 H new ATOM 0 HZ3 LYS B 59 12.890 1.583 1.551 1.00 4.35 H new ATOM 2581 N MET B 60 13.628 -0.870 8.717 1.00 1.02 N ATOM 2582 CA MET B 60 12.837 -0.836 9.938 1.00 1.08 C ATOM 2583 C MET B 60 12.759 0.594 10.465 1.00 1.17 C ATOM 2584 O MET B 60 11.683 1.067 10.819 1.00 1.07 O ATOM 2585 CB MET B 60 13.393 -1.788 11.005 1.00 1.27 C ATOM 2586 CG MET B 60 12.330 -2.072 12.084 1.00 1.25 C ATOM 2587 SD MET B 60 12.872 -1.952 13.808 1.00 1.51 S ATOM 2588 CE MET B 60 13.152 -0.172 13.943 1.00 2.99 C ATOM 0 H MET B 60 14.457 -1.459 8.790 1.00 1.02 H new ATOM 0 HA MET B 60 11.831 -1.181 9.701 1.00 1.08 H new ATOM 0 HB2 MET B 60 13.705 -2.723 10.539 1.00 1.27 H new ATOM 0 HB3 MET B 60 14.279 -1.350 11.465 1.00 1.27 H new ATOM 0 HG2 MET B 60 11.502 -1.378 11.938 1.00 1.25 H new ATOM 0 HG3 MET B 60 11.937 -3.075 11.919 1.00 1.25 H new ATOM 0 HE1 MET B 60 13.474 0.070 14.956 1.00 2.99 H new ATOM 0 HE2 MET B 60 13.924 0.130 13.235 1.00 2.99 H new ATOM 0 HE3 MET B 60 12.227 0.360 13.720 1.00 2.99 H new ATOM 2598 N LYS B 61 13.890 1.303 10.501 1.00 1.41 N ATOM 2599 CA LYS B 61 13.870 2.710 10.874 1.00 1.64 C ATOM 2600 C LYS B 61 13.024 3.513 9.876 1.00 1.58 C ATOM 2601 O LYS B 61 12.234 4.364 10.275 1.00 1.71 O ATOM 2602 CB LYS B 61 15.300 3.246 11.020 1.00 1.95 C ATOM 2603 CG LYS B 61 15.276 4.698 11.521 1.00 3.47 C ATOM 2604 CD LYS B 61 16.652 5.207 11.976 1.00 3.94 C ATOM 2605 CE LYS B 61 17.276 4.419 13.139 1.00 3.89 C ATOM 2606 NZ LYS B 61 16.303 4.109 14.208 1.00 4.26 N ATOM 0 H LYS B 61 14.813 0.930 10.280 1.00 1.41 H new ATOM 0 HA LYS B 61 13.396 2.823 11.849 1.00 1.64 H new ATOM 0 HB2 LYS B 61 15.860 2.623 11.717 1.00 1.95 H new ATOM 0 HB3 LYS B 61 15.815 3.193 10.061 1.00 1.95 H new ATOM 0 HG2 LYS B 61 14.903 5.343 10.726 1.00 3.47 H new ATOM 0 HG3 LYS B 61 14.574 4.777 12.351 1.00 3.47 H new ATOM 0 HD2 LYS B 61 17.335 5.176 11.127 1.00 3.94 H new ATOM 0 HD3 LYS B 61 16.558 6.252 12.272 1.00 3.94 H new ATOM 0 HE2 LYS B 61 17.698 3.489 12.757 1.00 3.89 H new ATOM 0 HE3 LYS B 61 18.101 4.994 13.560 1.00 3.89 H new ATOM 0 HZ1 LYS B 61 16.813 3.844 15.075 1.00 4.26 H new ATOM 0 HZ2 LYS B 61 15.714 4.946 14.395 1.00 4.26 H new ATOM 0 HZ3 LYS B 61 15.697 3.319 13.907 1.00 4.26 H new ATOM 2620 N SER B 62 13.178 3.233 8.580 1.00 1.44 N ATOM 2621 CA SER B 62 12.385 3.870 7.532 1.00 1.51 C ATOM 2622 C SER B 62 10.888 3.550 7.667 1.00 1.37 C ATOM 2623 O SER B 62 10.041 4.338 7.243 1.00 1.67 O ATOM 2624 CB SER B 62 12.889 3.431 6.155 1.00 1.48 C ATOM 2625 OG SER B 62 14.296 3.557 6.049 1.00 1.70 O ATOM 0 H SER B 62 13.857 2.557 8.230 1.00 1.44 H new ATOM 0 HA SER B 62 12.503 4.948 7.641 1.00 1.51 H new ATOM 0 HB2 SER B 62 12.602 2.395 5.975 1.00 1.48 H new ATOM 0 HB3 SER B 62 12.410 4.033 5.383 1.00 1.48 H new ATOM 0 HG SER B 62 14.728 2.844 6.564 1.00 1.70 H new ATOM 2631 N LEU B 63 10.566 2.372 8.199 1.00 0.99 N ATOM 2632 CA LEU B 63 9.222 1.862 8.386 1.00 0.86 C ATOM 2633 C LEU B 63 8.579 2.545 9.579 1.00 1.00 C ATOM 2634 O LEU B 63 7.539 3.178 9.433 1.00 1.15 O ATOM 2635 CB LEU B 63 9.269 0.344 8.625 1.00 0.68 C ATOM 2636 CG LEU B 63 9.325 -0.436 7.310 1.00 0.87 C ATOM 2637 CD1 LEU B 63 9.994 -1.802 7.478 1.00 1.15 C ATOM 2638 CD2 LEU B 63 7.887 -0.659 6.858 1.00 1.22 C ATOM 0 H LEU B 63 11.278 1.719 8.526 1.00 0.99 H new ATOM 0 HA LEU B 63 8.634 2.066 7.491 1.00 0.86 H new ATOM 0 HB2 LEU B 63 10.141 0.098 9.231 1.00 0.68 H new ATOM 0 HB3 LEU B 63 8.390 0.038 9.192 1.00 0.68 H new ATOM 0 HG LEU B 63 9.909 0.133 6.587 1.00 0.87 H new ATOM 0 HD11 LEU B 63 10.011 -2.319 6.519 1.00 1.15 H new ATOM 0 HD12 LEU B 63 11.015 -1.666 7.835 1.00 1.15 H new ATOM 0 HD13 LEU B 63 9.433 -2.395 8.200 1.00 1.15 H new ATOM 0 HD21 LEU B 63 7.882 -1.214 5.920 1.00 1.22 H new ATOM 0 HD22 LEU B 63 7.351 -1.227 7.618 1.00 1.22 H new ATOM 0 HD23 LEU B 63 7.398 0.304 6.712 1.00 1.22 H new ATOM 2650 N ASP B 64 9.193 2.404 10.760 1.00 1.06 N ATOM 2651 CA ASP B 64 8.524 2.599 12.038 1.00 1.28 C ATOM 2652 C ASP B 64 7.868 3.962 12.266 1.00 1.65 C ATOM 2653 O ASP B 64 7.103 4.088 13.210 1.00 1.96 O ATOM 2654 CB ASP B 64 9.308 2.088 13.253 1.00 1.44 C ATOM 2655 CG ASP B 64 8.303 1.734 14.345 1.00 1.67 C ATOM 2656 OD1 ASP B 64 7.606 0.706 14.217 1.00 1.33 O ATOM 2657 OD2 ASP B 64 7.946 2.562 15.210 1.00 2.92 O ATOM 0 H ASP B 64 10.177 2.149 10.849 1.00 1.06 H new ATOM 0 HA ASP B 64 7.669 1.930 11.938 1.00 1.28 H new ATOM 0 HB2 ASP B 64 9.902 1.215 12.984 1.00 1.44 H new ATOM 0 HB3 ASP B 64 10.003 2.850 13.606 1.00 1.44 H new ATOM 2662 N VAL B 65 8.181 4.971 11.447 1.00 1.76 N ATOM 2663 CA VAL B 65 8.565 6.357 11.741 1.00 2.08 C ATOM 2664 C VAL B 65 7.931 7.065 12.952 1.00 2.40 C ATOM 2665 O VAL B 65 8.530 8.019 13.446 1.00 2.69 O ATOM 2666 CB VAL B 65 8.338 7.212 10.477 1.00 2.17 C ATOM 2667 CG1 VAL B 65 9.146 6.697 9.281 1.00 2.03 C ATOM 2668 CG2 VAL B 65 6.854 7.277 10.082 1.00 2.64 C ATOM 0 H VAL B 65 8.170 4.817 10.439 1.00 1.76 H new ATOM 0 HA VAL B 65 9.610 6.268 12.038 1.00 2.08 H new ATOM 0 HB VAL B 65 8.682 8.214 10.735 1.00 2.17 H new ATOM 0 HG11 VAL B 65 8.955 7.329 8.414 1.00 2.03 H new ATOM 0 HG12 VAL B 65 10.209 6.723 9.522 1.00 2.03 H new ATOM 0 HG13 VAL B 65 8.850 5.673 9.056 1.00 2.03 H new ATOM 0 HG21 VAL B 65 6.742 7.889 9.187 1.00 2.64 H new ATOM 0 HG22 VAL B 65 6.486 6.271 9.881 1.00 2.64 H new ATOM 0 HG23 VAL B 65 6.280 7.717 10.897 1.00 2.64 H new ATOM 2678 N ASN B 66 6.792 6.615 13.480 1.00 2.38 N ATOM 2679 CA ASN B 66 6.498 6.829 14.896 1.00 2.47 C ATOM 2680 C ASN B 66 7.705 6.414 15.755 1.00 2.53 C ATOM 2681 O ASN B 66 8.084 7.164 16.650 1.00 2.90 O ATOM 2682 CB ASN B 66 5.169 6.190 15.355 1.00 2.37 C ATOM 2683 CG ASN B 66 4.796 4.863 14.691 1.00 2.57 C ATOM 2684 OD1 ASN B 66 5.080 3.782 15.208 1.00 2.02 O ATOM 2685 ND2 ASN B 66 4.122 4.931 13.547 1.00 3.91 N ATOM 0 H ASN B 66 6.073 6.111 12.962 1.00 2.38 H new ATOM 0 HA ASN B 66 6.337 7.897 15.041 1.00 2.47 H new ATOM 0 HB2 ASN B 66 5.218 6.033 16.432 1.00 2.37 H new ATOM 0 HB3 ASN B 66 4.365 6.903 15.173 1.00 2.37 H new ATOM 0 HD21 ASN B 66 3.828 4.075 13.077 1.00 3.91 H new ATOM 0 HD22 ASN B 66 3.899 5.839 13.140 1.00 3.91 H new ATOM 2692 N GLN B 67 8.354 5.280 15.456 1.00 2.28 N ATOM 2693 CA GLN B 67 9.638 4.900 16.033 1.00 2.47 C ATOM 2694 C GLN B 67 9.440 4.529 17.497 1.00 2.54 C ATOM 2695 O GLN B 67 10.102 5.042 18.397 1.00 2.95 O ATOM 2696 CB GLN B 67 10.755 5.921 15.746 1.00 3.07 C ATOM 2697 CG GLN B 67 12.133 5.265 15.957 1.00 2.77 C ATOM 2698 CD GLN B 67 13.306 6.148 15.535 1.00 3.18 C ATOM 2699 OE1 GLN B 67 14.264 5.675 14.920 1.00 3.17 O ATOM 2700 NE2 GLN B 67 13.264 7.434 15.870 1.00 4.18 N ATOM 0 H GLN B 67 7.990 4.594 14.795 1.00 2.28 H new ATOM 0 HA GLN B 67 10.013 4.006 15.535 1.00 2.47 H new ATOM 0 HB2 GLN B 67 10.670 6.288 14.723 1.00 3.07 H new ATOM 0 HB3 GLN B 67 10.649 6.784 16.404 1.00 3.07 H new ATOM 0 HG2 GLN B 67 12.245 5.007 17.010 1.00 2.77 H new ATOM 0 HG3 GLN B 67 12.171 4.332 15.394 1.00 2.77 H new ATOM 0 HE21 GLN B 67 12.460 7.802 16.379 1.00 4.18 H new ATOM 0 HE22 GLN B 67 14.035 8.052 15.618 1.00 4.18 H new ATOM 2709 N ASP B 68 8.522 3.582 17.680 1.00 2.26 N ATOM 2710 CA ASP B 68 8.425 2.738 18.855 1.00 2.17 C ATOM 2711 C ASP B 68 9.362 1.544 18.557 1.00 2.44 C ATOM 2712 O ASP B 68 10.486 1.750 18.096 1.00 4.17 O ATOM 2713 CB ASP B 68 6.925 2.449 19.143 1.00 1.77 C ATOM 2714 CG ASP B 68 6.183 1.820 17.972 1.00 1.45 C ATOM 2715 OD1 ASP B 68 6.817 1.021 17.264 1.00 2.35 O ATOM 2716 OD2 ASP B 68 5.065 2.209 17.546 1.00 2.56 O ATOM 0 H ASP B 68 7.803 3.379 16.986 1.00 2.26 H new ATOM 0 HA ASP B 68 8.762 3.171 19.797 1.00 2.17 H new ATOM 0 HB2 ASP B 68 6.852 1.786 20.005 1.00 1.77 H new ATOM 0 HB3 ASP B 68 6.431 3.382 19.415 1.00 1.77 H new ATOM 2721 N SER B 69 8.949 0.300 18.777 1.00 1.65 N ATOM 2722 CA SER B 69 9.603 -0.905 18.258 1.00 1.68 C ATOM 2723 C SER B 69 8.569 -1.999 17.942 1.00 1.47 C ATOM 2724 O SER B 69 8.875 -3.196 17.961 1.00 1.67 O ATOM 2725 CB SER B 69 10.669 -1.383 19.251 1.00 1.98 C ATOM 2726 OG SER B 69 11.737 -0.452 19.302 1.00 3.00 O ATOM 0 H SER B 69 8.124 0.092 19.339 1.00 1.65 H new ATOM 0 HA SER B 69 10.102 -0.668 17.319 1.00 1.68 H new ATOM 0 HB2 SER B 69 10.229 -1.499 20.242 1.00 1.98 H new ATOM 0 HB3 SER B 69 11.043 -2.362 18.952 1.00 1.98 H new ATOM 0 HG SER B 69 11.503 0.343 18.780 1.00 3.00 H new ATOM 2732 N GLU B 70 7.356 -1.567 17.594 1.00 1.27 N ATOM 2733 CA GLU B 70 6.206 -2.368 17.231 1.00 1.19 C ATOM 2734 C GLU B 70 5.694 -1.782 15.922 1.00 0.99 C ATOM 2735 O GLU B 70 5.189 -0.654 15.867 1.00 0.95 O ATOM 2736 CB GLU B 70 5.104 -2.321 18.302 1.00 1.32 C ATOM 2737 CG GLU B 70 5.626 -2.384 19.743 1.00 2.48 C ATOM 2738 CD GLU B 70 5.929 -0.986 20.260 1.00 4.46 C ATOM 2739 OE1 GLU B 70 4.950 -0.225 20.418 1.00 4.61 O ATOM 2740 OE2 GLU B 70 7.128 -0.686 20.439 1.00 6.28 O ATOM 0 H GLU B 70 7.145 -0.570 17.559 1.00 1.27 H new ATOM 0 HA GLU B 70 6.486 -3.417 17.136 1.00 1.19 H new ATOM 0 HB2 GLU B 70 4.529 -1.404 18.175 1.00 1.32 H new ATOM 0 HB3 GLU B 70 4.418 -3.153 18.139 1.00 1.32 H new ATOM 0 HG2 GLU B 70 4.886 -2.863 20.384 1.00 2.48 H new ATOM 0 HG3 GLU B 70 6.527 -2.997 19.784 1.00 2.48 H new ATOM 2747 N LEU B 71 5.849 -2.534 14.845 1.00 0.99 N ATOM 2748 CA LEU B 71 5.372 -2.124 13.549 1.00 0.90 C ATOM 2749 C LEU B 71 3.847 -2.306 13.627 1.00 1.00 C ATOM 2750 O LEU B 71 3.359 -3.434 13.745 1.00 1.27 O ATOM 2751 CB LEU B 71 6.072 -2.962 12.465 1.00 0.89 C ATOM 2752 CG LEU B 71 7.606 -2.788 12.303 1.00 0.92 C ATOM 2753 CD1 LEU B 71 7.988 -1.596 11.420 1.00 0.96 C ATOM 2754 CD2 LEU B 71 8.430 -2.728 13.596 1.00 1.02 C ATOM 0 H LEU B 71 6.310 -3.444 14.852 1.00 0.99 H new ATOM 0 HA LEU B 71 5.596 -1.091 13.281 1.00 0.90 H new ATOM 0 HB2 LEU B 71 5.873 -4.013 12.672 1.00 0.89 H new ATOM 0 HB3 LEU B 71 5.605 -2.732 11.508 1.00 0.89 H new ATOM 0 HG LEU B 71 7.874 -3.723 11.811 1.00 0.92 H new ATOM 0 HD11 LEU B 71 9.074 -1.530 11.347 1.00 0.96 H new ATOM 0 HD12 LEU B 71 7.565 -1.730 10.424 1.00 0.96 H new ATOM 0 HD13 LEU B 71 7.597 -0.678 11.859 1.00 0.96 H new ATOM 0 HD21 LEU B 71 9.485 -2.605 13.350 1.00 1.02 H new ATOM 0 HD22 LEU B 71 8.098 -1.884 14.200 1.00 1.02 H new ATOM 0 HD23 LEU B 71 8.294 -3.652 14.157 1.00 1.02 H new ATOM 2766 N LYS B 72 3.106 -1.195 13.679 1.00 0.95 N ATOM 2767 CA LYS B 72 1.649 -1.157 13.784 1.00 1.02 C ATOM 2768 C LYS B 72 1.050 -1.067 12.374 1.00 0.99 C ATOM 2769 O LYS B 72 1.786 -0.939 11.396 1.00 0.94 O ATOM 2770 CB LYS B 72 1.244 -0.011 14.736 1.00 1.17 C ATOM 2771 CG LYS B 72 1.095 1.370 14.076 1.00 1.79 C ATOM 2772 CD LYS B 72 1.651 2.566 14.876 1.00 3.08 C ATOM 2773 CE LYS B 72 1.159 2.733 16.325 1.00 3.12 C ATOM 2774 NZ LYS B 72 2.029 2.062 17.328 1.00 3.66 N ATOM 0 H LYS B 72 3.522 -0.264 13.648 1.00 0.95 H new ATOM 0 HA LYS B 72 1.244 -2.068 14.224 1.00 1.02 H new ATOM 0 HB2 LYS B 72 0.298 -0.272 15.211 1.00 1.17 H new ATOM 0 HB3 LYS B 72 1.989 0.062 15.528 1.00 1.17 H new ATOM 0 HG2 LYS B 72 1.594 1.343 13.107 1.00 1.79 H new ATOM 0 HG3 LYS B 72 0.037 1.547 13.885 1.00 1.79 H new ATOM 0 HD2 LYS B 72 2.738 2.483 14.896 1.00 3.08 H new ATOM 0 HD3 LYS B 72 1.411 3.478 14.330 1.00 3.08 H new ATOM 0 HE2 LYS B 72 1.100 3.796 16.560 1.00 3.12 H new ATOM 0 HE3 LYS B 72 0.149 2.332 16.406 1.00 3.12 H new ATOM 0 HZ1 LYS B 72 1.896 2.509 18.257 1.00 3.66 H new ATOM 0 HZ2 LYS B 72 1.776 1.055 17.389 1.00 3.66 H new ATOM 0 HZ3 LYS B 72 3.024 2.152 17.040 1.00 3.66 H new ATOM 2788 N PHE B 73 -0.274 -1.119 12.221 1.00 1.09 N ATOM 2789 CA PHE B 73 -0.857 -1.273 10.891 1.00 1.12 C ATOM 2790 C PHE B 73 -1.072 0.051 10.154 1.00 1.19 C ATOM 2791 O PHE B 73 -2.077 0.229 9.479 1.00 1.48 O ATOM 2792 CB PHE B 73 -2.132 -2.130 10.991 1.00 1.33 C ATOM 2793 CG PHE B 73 -3.087 -1.733 12.102 1.00 2.07 C ATOM 2794 CD1 PHE B 73 -4.003 -0.682 11.920 1.00 3.17 C ATOM 2795 CD2 PHE B 73 -3.039 -2.410 13.336 1.00 3.56 C ATOM 2796 CE1 PHE B 73 -4.846 -0.290 12.974 1.00 4.67 C ATOM 2797 CE2 PHE B 73 -3.884 -2.020 14.388 1.00 5.02 C ATOM 2798 CZ PHE B 73 -4.783 -0.956 14.211 1.00 5.35 C ATOM 0 H PHE B 73 -0.949 -1.058 12.984 1.00 1.09 H new ATOM 0 HA PHE B 73 -0.135 -1.798 10.265 1.00 1.12 H new ATOM 0 HB2 PHE B 73 -2.663 -2.077 10.040 1.00 1.33 H new ATOM 0 HB3 PHE B 73 -1.842 -3.170 11.137 1.00 1.33 H new ATOM 0 HD1 PHE B 73 -4.059 -0.175 10.968 1.00 3.17 H new ATOM 0 HD2 PHE B 73 -2.351 -3.231 13.474 1.00 3.56 H new ATOM 0 HE1 PHE B 73 -5.543 0.523 12.834 1.00 4.67 H new ATOM 0 HE2 PHE B 73 -3.842 -2.539 15.334 1.00 5.02 H new ATOM 0 HZ PHE B 73 -5.425 -0.650 15.024 1.00 5.35 H new ATOM 2808 N ASN B 74 -0.014 0.858 10.052 1.00 1.23 N ATOM 2809 CA ASN B 74 0.463 1.416 8.791 1.00 1.13 C ATOM 2810 C ASN B 74 1.938 1.768 9.035 1.00 1.26 C ATOM 2811 O ASN B 74 2.392 2.868 8.741 1.00 1.55 O ATOM 2812 CB ASN B 74 -0.413 2.629 8.390 1.00 1.24 C ATOM 2813 CG ASN B 74 -0.154 3.243 7.009 1.00 1.86 C ATOM 2814 OD1 ASN B 74 -1.043 3.230 6.160 1.00 2.41 O ATOM 2815 ND2 ASN B 74 0.983 3.876 6.775 1.00 2.27 N ATOM 0 H ASN B 74 0.542 1.145 10.857 1.00 1.23 H new ATOM 0 HA ASN B 74 0.388 0.724 7.952 1.00 1.13 H new ATOM 0 HB2 ASN B 74 -1.458 2.323 8.435 1.00 1.24 H new ATOM 0 HB3 ASN B 74 -0.277 3.409 9.139 1.00 1.24 H new ATOM 0 HD21 ASN B 74 1.126 4.357 5.887 1.00 2.27 H new ATOM 0 HD22 ASN B 74 1.717 3.884 7.483 1.00 2.27 H new ATOM 2822 N GLU B 75 2.714 0.808 9.542 1.00 1.29 N ATOM 2823 CA GLU B 75 4.138 0.727 9.320 1.00 1.32 C ATOM 2824 C GLU B 75 4.392 -0.089 8.059 1.00 1.24 C ATOM 2825 O GLU B 75 4.873 0.447 7.065 1.00 1.12 O ATOM 2826 CB GLU B 75 4.831 0.128 10.546 1.00 1.56 C ATOM 2827 CG GLU B 75 5.292 1.199 11.541 1.00 1.95 C ATOM 2828 CD GLU B 75 4.283 1.703 12.547 1.00 1.35 C ATOM 2829 OE1 GLU B 75 3.518 2.637 12.237 1.00 2.82 O ATOM 2830 OE2 GLU B 75 4.380 1.222 13.704 1.00 1.43 O ATOM 0 H GLU B 75 2.352 0.056 10.128 1.00 1.29 H new ATOM 0 HA GLU B 75 4.557 1.723 9.175 1.00 1.32 H new ATOM 0 HB2 GLU B 75 4.148 -0.558 11.046 1.00 1.56 H new ATOM 0 HB3 GLU B 75 5.692 -0.458 10.223 1.00 1.56 H new ATOM 0 HG2 GLU B 75 6.144 0.801 12.091 1.00 1.95 H new ATOM 0 HG3 GLU B 75 5.653 2.055 10.970 1.00 1.95 H new ATOM 2837 N TYR B 76 4.012 -1.379 8.092 1.00 1.38 N ATOM 2838 CA TYR B 76 4.375 -2.342 7.039 1.00 1.45 C ATOM 2839 C TYR B 76 3.975 -1.826 5.677 1.00 1.28 C ATOM 2840 O TYR B 76 4.692 -2.034 4.702 1.00 1.34 O ATOM 2841 CB TYR B 76 3.774 -3.748 7.217 1.00 1.81 C ATOM 2842 CG TYR B 76 3.057 -3.993 8.514 1.00 1.12 C ATOM 2843 CD1 TYR B 76 3.801 -4.236 9.676 1.00 2.72 C ATOM 2844 CD2 TYR B 76 1.654 -3.924 8.574 1.00 2.63 C ATOM 2845 CE1 TYR B 76 3.149 -4.362 10.903 1.00 4.75 C ATOM 2846 CE2 TYR B 76 1.010 -4.024 9.814 1.00 4.60 C ATOM 2847 CZ TYR B 76 1.763 -4.185 10.987 1.00 5.56 C ATOM 2848 OH TYR B 76 1.168 -4.087 12.205 1.00 7.87 O ATOM 0 H TYR B 76 3.450 -1.780 8.843 1.00 1.38 H new ATOM 0 HA TYR B 76 5.457 -2.441 7.124 1.00 1.45 H new ATOM 0 HB2 TYR B 76 3.078 -3.931 6.399 1.00 1.81 H new ATOM 0 HB3 TYR B 76 4.576 -4.480 7.123 1.00 1.81 H new ATOM 0 HD1 TYR B 76 4.876 -4.326 9.622 1.00 2.72 H new ATOM 0 HD2 TYR B 76 1.077 -3.795 7.670 1.00 2.63 H new ATOM 0 HE1 TYR B 76 3.716 -4.597 11.792 1.00 4.75 H new ATOM 0 HE2 TYR B 76 -0.068 -3.977 9.867 1.00 4.60 H new ATOM 0 HH TYR B 76 1.837 -3.838 12.877 1.00 7.87 H new ATOM 2858 N TRP B 77 2.838 -1.131 5.647 1.00 1.11 N ATOM 2859 CA TRP B 77 2.349 -0.443 4.482 1.00 1.00 C ATOM 2860 C TRP B 77 3.508 0.212 3.709 1.00 0.94 C ATOM 2861 O TRP B 77 3.678 -0.055 2.522 1.00 0.99 O ATOM 2862 CB TRP B 77 1.262 0.555 4.909 1.00 0.98 C ATOM 2863 CG TRP B 77 0.848 1.394 3.758 1.00 0.97 C ATOM 2864 CD1 TRP B 77 1.237 2.666 3.547 1.00 2.26 C ATOM 2865 CD2 TRP B 77 0.215 0.960 2.525 1.00 1.64 C ATOM 2866 NE1 TRP B 77 0.825 3.080 2.306 1.00 2.02 N ATOM 2867 CE2 TRP B 77 0.197 2.066 1.630 1.00 1.39 C ATOM 2868 CE3 TRP B 77 -0.293 -0.268 2.047 1.00 3.53 C ATOM 2869 CZ2 TRP B 77 -0.339 1.981 0.346 1.00 2.35 C ATOM 2870 CZ3 TRP B 77 -0.738 -0.381 0.720 1.00 4.58 C ATOM 2871 CH2 TRP B 77 -0.778 0.736 -0.114 1.00 3.98 C ATOM 0 H TRP B 77 2.227 -1.037 6.458 1.00 1.11 H new ATOM 0 HA TRP B 77 1.893 -1.150 3.789 1.00 1.00 H new ATOM 0 HB2 TRP B 77 0.400 0.017 5.303 1.00 0.98 H new ATOM 0 HB3 TRP B 77 1.637 1.189 5.713 1.00 0.98 H new ATOM 0 HD1 TRP B 77 1.791 3.270 4.250 1.00 2.26 H new ATOM 0 HE1 TRP B 77 0.967 4.019 1.935 1.00 2.02 H new ATOM 0 HE3 TRP B 77 -0.339 -1.123 2.705 1.00 3.53 H new ATOM 0 HZ2 TRP B 77 -0.414 2.858 -0.280 1.00 2.35 H new ATOM 0 HZ3 TRP B 77 -1.052 -1.342 0.342 1.00 4.58 H new ATOM 0 HH2 TRP B 77 -1.151 0.638 -1.123 1.00 3.98 H new ATOM 2882 N ARG B 78 4.359 1.000 4.381 1.00 0.85 N ATOM 2883 CA ARG B 78 5.523 1.637 3.765 1.00 0.81 C ATOM 2884 C ARG B 78 6.309 0.646 2.892 1.00 0.78 C ATOM 2885 O ARG B 78 6.623 0.954 1.743 1.00 0.85 O ATOM 2886 CB ARG B 78 6.448 2.223 4.842 1.00 0.75 C ATOM 2887 CG ARG B 78 5.796 3.293 5.735 1.00 0.88 C ATOM 2888 CD ARG B 78 6.168 4.710 5.285 1.00 1.64 C ATOM 2889 NE ARG B 78 7.563 5.048 5.632 1.00 2.26 N ATOM 2890 CZ ARG B 78 8.212 6.148 5.214 1.00 3.15 C ATOM 2891 NH1 ARG B 78 7.617 7.002 4.374 1.00 3.77 N ATOM 2892 NH2 ARG B 78 9.452 6.389 5.644 1.00 4.20 N ATOM 0 H ARG B 78 4.255 1.212 5.373 1.00 0.85 H new ATOM 0 HA ARG B 78 5.157 2.441 3.127 1.00 0.81 H new ATOM 0 HB2 ARG B 78 6.807 1.411 5.474 1.00 0.75 H new ATOM 0 HB3 ARG B 78 7.321 2.658 4.355 1.00 0.75 H new ATOM 0 HG2 ARG B 78 4.713 3.176 5.711 1.00 0.88 H new ATOM 0 HG3 ARG B 78 6.110 3.145 6.768 1.00 0.88 H new ATOM 0 HD2 ARG B 78 6.031 4.797 4.207 1.00 1.64 H new ATOM 0 HD3 ARG B 78 5.493 5.428 5.751 1.00 1.64 H new ATOM 0 HE ARG B 78 8.071 4.399 6.233 1.00 2.26 H new ATOM 0 HH11 ARG B 78 6.668 6.819 4.049 1.00 3.77 H new ATOM 0 HH12 ARG B 78 8.113 7.836 4.059 1.00 3.77 H new ATOM 0 HH21 ARG B 78 9.904 5.739 6.288 1.00 4.20 H new ATOM 0 HH22 ARG B 78 9.948 7.223 5.329 1.00 4.20 H new ATOM 2906 N LEU B 79 6.600 -0.549 3.419 1.00 0.72 N ATOM 2907 CA LEU B 79 7.343 -1.574 2.705 1.00 0.69 C ATOM 2908 C LEU B 79 6.649 -1.948 1.406 1.00 0.70 C ATOM 2909 O LEU B 79 7.324 -2.145 0.404 1.00 0.75 O ATOM 2910 CB LEU B 79 7.497 -2.845 3.552 1.00 0.74 C ATOM 2911 CG LEU B 79 8.598 -3.755 2.980 1.00 0.77 C ATOM 2912 CD1 LEU B 79 9.956 -3.327 3.534 1.00 0.73 C ATOM 2913 CD2 LEU B 79 8.321 -5.227 3.298 1.00 0.87 C ATOM 0 H LEU B 79 6.321 -0.826 4.360 1.00 0.72 H new ATOM 0 HA LEU B 79 8.327 -1.156 2.492 1.00 0.69 H new ATOM 0 HB2 LEU B 79 7.740 -2.575 4.580 1.00 0.74 H new ATOM 0 HB3 LEU B 79 6.551 -3.385 3.580 1.00 0.74 H new ATOM 0 HG LEU B 79 8.607 -3.652 1.895 1.00 0.77 H new ATOM 0 HD11 LEU B 79 10.735 -3.973 3.128 1.00 0.73 H new ATOM 0 HD12 LEU B 79 10.156 -2.294 3.249 1.00 0.73 H new ATOM 0 HD13 LEU B 79 9.948 -3.408 4.621 1.00 0.73 H new ATOM 0 HD21 LEU B 79 9.116 -5.845 2.881 1.00 0.87 H new ATOM 0 HD22 LEU B 79 8.283 -5.365 4.379 1.00 0.87 H new ATOM 0 HD23 LEU B 79 7.366 -5.520 2.861 1.00 0.87 H new ATOM 2925 N ILE B 80 5.318 -2.070 1.410 1.00 0.73 N ATOM 2926 CA ILE B 80 4.571 -2.484 0.252 1.00 0.82 C ATOM 2927 C ILE B 80 4.768 -1.380 -0.793 1.00 1.02 C ATOM 2928 O ILE B 80 4.921 -1.652 -1.982 1.00 1.18 O ATOM 2929 CB ILE B 80 3.111 -2.743 0.668 1.00 0.86 C ATOM 2930 CG1 ILE B 80 3.020 -3.717 1.860 1.00 1.13 C ATOM 2931 CG2 ILE B 80 2.346 -3.349 -0.524 1.00 1.23 C ATOM 2932 CD1 ILE B 80 1.588 -3.834 2.389 1.00 1.39 C ATOM 0 H ILE B 80 4.740 -1.880 2.228 1.00 0.73 H new ATOM 0 HA ILE B 80 4.907 -3.423 -0.188 1.00 0.82 H new ATOM 0 HB ILE B 80 2.675 -1.791 0.969 1.00 0.86 H new ATOM 0 HG12 ILE B 80 3.376 -4.701 1.554 1.00 1.13 H new ATOM 0 HG13 ILE B 80 3.677 -3.375 2.660 1.00 1.13 H new ATOM 0 HG21 ILE B 80 1.311 -3.535 -0.236 1.00 1.23 H new ATOM 0 HG22 ILE B 80 2.370 -2.654 -1.363 1.00 1.23 H new ATOM 0 HG23 ILE B 80 2.815 -4.288 -0.818 1.00 1.23 H new ATOM 0 HD11 ILE B 80 1.566 -4.529 3.228 1.00 1.39 H new ATOM 0 HD12 ILE B 80 1.241 -2.855 2.720 1.00 1.39 H new ATOM 0 HD13 ILE B 80 0.936 -4.201 1.596 1.00 1.39 H new ATOM 2944 N GLY B 81 4.847 -0.125 -0.331 1.00 1.12 N ATOM 2945 CA GLY B 81 5.023 1.026 -1.183 1.00 1.34 C ATOM 2946 C GLY B 81 6.364 0.981 -1.841 1.00 1.27 C ATOM 2947 O GLY B 81 6.485 1.174 -3.046 1.00 1.47 O ATOM 0 H GLY B 81 4.788 0.107 0.661 1.00 1.12 H new ATOM 0 HA2 GLY B 81 4.239 1.050 -1.940 1.00 1.34 H new ATOM 0 HA3 GLY B 81 4.928 1.940 -0.596 1.00 1.34 H new ATOM 2951 N GLU B 82 7.369 0.729 -1.020 1.00 1.06 N ATOM 2952 CA GLU B 82 8.722 0.645 -1.482 1.00 1.06 C ATOM 2953 C GLU B 82 8.818 -0.511 -2.462 1.00 1.08 C ATOM 2954 O GLU B 82 9.049 -0.251 -3.628 1.00 1.15 O ATOM 2955 CB GLU B 82 9.629 0.541 -0.269 1.00 0.92 C ATOM 2956 CG GLU B 82 9.437 1.814 0.575 1.00 0.99 C ATOM 2957 CD GLU B 82 10.594 2.780 0.385 1.00 1.41 C ATOM 2958 OE1 GLU B 82 11.647 2.553 1.024 1.00 2.10 O ATOM 2959 OE2 GLU B 82 10.406 3.703 -0.444 1.00 2.31 O ATOM 0 H GLU B 82 7.258 0.579 -0.017 1.00 1.06 H new ATOM 0 HA GLU B 82 9.048 1.530 -2.029 1.00 1.06 H new ATOM 0 HB2 GLU B 82 9.384 -0.345 0.316 1.00 0.92 H new ATOM 0 HB3 GLU B 82 10.670 0.441 -0.578 1.00 0.92 H new ATOM 0 HG2 GLU B 82 8.503 2.302 0.295 1.00 0.99 H new ATOM 0 HG3 GLU B 82 9.353 1.546 1.628 1.00 0.99 H new ATOM 2966 N LEU B 83 8.545 -1.751 -2.057 1.00 1.08 N ATOM 2967 CA LEU B 83 8.659 -2.891 -2.959 1.00 1.19 C ATOM 2968 C LEU B 83 7.850 -2.703 -4.253 1.00 1.16 C ATOM 2969 O LEU B 83 8.330 -3.079 -5.320 1.00 1.22 O ATOM 2970 CB LEU B 83 8.464 -4.221 -2.216 1.00 1.75 C ATOM 2971 CG LEU B 83 7.049 -4.511 -1.707 1.00 0.58 C ATOM 2972 CD1 LEU B 83 6.182 -5.214 -2.744 1.00 1.82 C ATOM 2973 CD2 LEU B 83 7.075 -5.422 -0.475 1.00 1.39 C ATOM 0 H LEU B 83 8.244 -1.989 -1.112 1.00 1.08 H new ATOM 0 HA LEU B 83 9.684 -2.944 -3.325 1.00 1.19 H new ATOM 0 HB2 LEU B 83 8.761 -5.032 -2.881 1.00 1.75 H new ATOM 0 HB3 LEU B 83 9.145 -4.241 -1.365 1.00 1.75 H new ATOM 0 HG LEU B 83 6.629 -3.533 -1.471 1.00 0.58 H new ATOM 0 HD11 LEU B 83 5.191 -5.394 -2.328 1.00 1.82 H new ATOM 0 HD12 LEU B 83 6.095 -4.587 -3.631 1.00 1.82 H new ATOM 0 HD13 LEU B 83 6.639 -6.165 -3.016 1.00 1.82 H new ATOM 0 HD21 LEU B 83 6.055 -5.608 -0.139 1.00 1.39 H new ATOM 0 HD22 LEU B 83 7.551 -6.368 -0.732 1.00 1.39 H new ATOM 0 HD23 LEU B 83 7.638 -4.938 0.323 1.00 1.39 H new ATOM 2985 N ALA B 84 6.671 -2.069 -4.200 1.00 1.17 N ATOM 2986 CA ALA B 84 5.969 -1.698 -5.424 1.00 1.26 C ATOM 2987 C ALA B 84 6.808 -0.726 -6.259 1.00 1.26 C ATOM 2988 O ALA B 84 7.207 -1.021 -7.383 1.00 1.71 O ATOM 2989 CB ALA B 84 4.601 -1.089 -5.090 1.00 1.29 C ATOM 0 H ALA B 84 6.195 -1.808 -3.337 1.00 1.17 H new ATOM 0 HA ALA B 84 5.810 -2.599 -6.017 1.00 1.26 H new ATOM 0 HB1 ALA B 84 4.089 -0.817 -6.013 1.00 1.29 H new ATOM 0 HB2 ALA B 84 4.002 -1.818 -4.544 1.00 1.29 H new ATOM 0 HB3 ALA B 84 4.739 -0.199 -4.476 1.00 1.29 H new ATOM 2995 N LYS B 85 7.095 0.440 -5.686 1.00 0.86 N ATOM 2996 CA LYS B 85 7.800 1.553 -6.302 1.00 0.73 C ATOM 2997 C LYS B 85 9.142 1.109 -6.903 1.00 0.67 C ATOM 2998 O LYS B 85 9.504 1.526 -8.006 1.00 0.69 O ATOM 2999 CB LYS B 85 7.921 2.626 -5.207 1.00 0.98 C ATOM 3000 CG LYS B 85 8.633 3.918 -5.596 1.00 0.98 C ATOM 3001 CD LYS B 85 8.141 5.105 -4.765 1.00 1.47 C ATOM 3002 CE LYS B 85 8.120 4.885 -3.248 1.00 0.72 C ATOM 3003 NZ LYS B 85 9.388 4.324 -2.715 1.00 1.56 N ATOM 0 H LYS B 85 6.825 0.642 -4.723 1.00 0.86 H new ATOM 0 HA LYS B 85 7.263 1.963 -7.157 1.00 0.73 H new ATOM 0 HB2 LYS B 85 6.917 2.879 -4.865 1.00 0.98 H new ATOM 0 HB3 LYS B 85 8.446 2.189 -4.358 1.00 0.98 H new ATOM 0 HG2 LYS B 85 9.708 3.797 -5.458 1.00 0.98 H new ATOM 0 HG3 LYS B 85 8.468 4.121 -6.654 1.00 0.98 H new ATOM 0 HD2 LYS B 85 8.775 5.965 -4.981 1.00 1.47 H new ATOM 0 HD3 LYS B 85 7.133 5.362 -5.091 1.00 1.47 H new ATOM 0 HE2 LYS B 85 7.915 5.835 -2.754 1.00 0.72 H new ATOM 0 HE3 LYS B 85 7.300 4.212 -2.997 1.00 0.72 H new ATOM 0 HZ1 LYS B 85 9.295 4.168 -1.691 1.00 1.56 H new ATOM 0 HZ2 LYS B 85 9.592 3.419 -3.186 1.00 1.56 H new ATOM 0 HZ3 LYS B 85 10.165 4.991 -2.895 1.00 1.56 H new ATOM 3017 N GLU B 86 9.855 0.247 -6.177 1.00 0.76 N ATOM 3018 CA GLU B 86 11.131 -0.350 -6.519 1.00 0.84 C ATOM 3019 C GLU B 86 11.099 -0.977 -7.908 1.00 0.88 C ATOM 3020 O GLU B 86 12.131 -0.991 -8.575 1.00 1.01 O ATOM 3021 CB GLU B 86 11.475 -1.464 -5.515 1.00 0.95 C ATOM 3022 CG GLU B 86 11.839 -0.961 -4.107 1.00 1.10 C ATOM 3023 CD GLU B 86 13.324 -0.810 -3.824 1.00 2.09 C ATOM 3024 OE1 GLU B 86 14.124 -1.286 -4.659 1.00 3.75 O ATOM 3025 OE2 GLU B 86 13.635 -0.300 -2.729 1.00 2.28 O ATOM 0 H GLU B 86 9.523 -0.071 -5.266 1.00 0.76 H new ATOM 0 HA GLU B 86 11.876 0.445 -6.494 1.00 0.84 H new ATOM 0 HB2 GLU B 86 10.625 -2.141 -5.437 1.00 0.95 H new ATOM 0 HB3 GLU B 86 12.310 -2.045 -5.907 1.00 0.95 H new ATOM 0 HG2 GLU B 86 11.358 0.005 -3.951 1.00 1.10 H new ATOM 0 HG3 GLU B 86 11.417 -1.649 -3.375 1.00 1.10 H new ATOM 3032 N ILE B 87 9.954 -1.534 -8.336 1.00 0.82 N ATOM 3033 CA ILE B 87 9.880 -2.208 -9.619 1.00 0.83 C ATOM 3034 C ILE B 87 10.402 -1.291 -10.730 1.00 0.93 C ATOM 3035 O ILE B 87 11.110 -1.741 -11.628 1.00 1.05 O ATOM 3036 CB ILE B 87 8.452 -2.741 -9.859 1.00 0.84 C ATOM 3037 CG1 ILE B 87 8.507 -3.926 -10.837 1.00 0.91 C ATOM 3038 CG2 ILE B 87 7.488 -1.666 -10.387 1.00 0.97 C ATOM 3039 CD1 ILE B 87 7.268 -4.800 -10.670 1.00 0.76 C ATOM 0 H ILE B 87 9.081 -1.525 -7.809 1.00 0.82 H new ATOM 0 HA ILE B 87 10.531 -3.083 -9.623 1.00 0.83 H new ATOM 0 HB ILE B 87 8.060 -3.062 -8.894 1.00 0.84 H new ATOM 0 HG12 ILE B 87 8.568 -3.560 -11.862 1.00 0.91 H new ATOM 0 HG13 ILE B 87 9.405 -4.516 -10.656 1.00 0.91 H new ATOM 0 HG21 ILE B 87 6.501 -2.104 -10.535 1.00 0.97 H new ATOM 0 HG22 ILE B 87 7.419 -0.852 -9.665 1.00 0.97 H new ATOM 0 HG23 ILE B 87 7.859 -1.279 -11.336 1.00 0.97 H new ATOM 0 HD11 ILE B 87 7.316 -5.637 -11.367 1.00 0.76 H new ATOM 0 HD12 ILE B 87 7.226 -5.180 -9.649 1.00 0.76 H new ATOM 0 HD13 ILE B 87 6.375 -4.209 -10.874 1.00 0.76 H new ATOM 3051 N ARG B 88 10.057 0.002 -10.661 1.00 0.98 N ATOM 3052 CA ARG B 88 10.725 1.033 -11.437 1.00 1.21 C ATOM 3053 C ARG B 88 11.988 1.524 -10.719 1.00 1.16 C ATOM 3054 O ARG B 88 13.097 1.440 -11.243 1.00 1.64 O ATOM 3055 CB ARG B 88 9.743 2.166 -11.769 1.00 1.47 C ATOM 3056 CG ARG B 88 8.417 1.596 -12.303 1.00 2.25 C ATOM 3057 CD ARG B 88 7.744 2.539 -13.309 1.00 2.85 C ATOM 3058 NE ARG B 88 8.463 2.560 -14.595 1.00 3.60 N ATOM 3059 CZ ARG B 88 8.426 1.587 -15.523 1.00 5.07 C ATOM 3060 NH1 ARG B 88 7.659 0.508 -15.335 1.00 6.10 N ATOM 3061 NH2 ARG B 88 9.164 1.695 -16.634 1.00 5.91 N ATOM 0 H ARG B 88 9.308 0.353 -10.065 1.00 0.98 H new ATOM 0 HA ARG B 88 11.058 0.612 -12.386 1.00 1.21 H new ATOM 0 HB2 ARG B 88 9.555 2.764 -10.877 1.00 1.47 H new ATOM 0 HB3 ARG B 88 10.184 2.831 -12.512 1.00 1.47 H new ATOM 0 HG2 ARG B 88 8.603 0.633 -12.779 1.00 2.25 H new ATOM 0 HG3 ARG B 88 7.740 1.414 -11.469 1.00 2.25 H new ATOM 0 HD2 ARG B 88 6.714 2.223 -13.472 1.00 2.85 H new ATOM 0 HD3 ARG B 88 7.707 3.547 -12.896 1.00 2.85 H new ATOM 0 HE ARG B 88 9.036 3.379 -14.798 1.00 3.60 H new ATOM 0 HH11 ARG B 88 7.100 0.421 -14.486 1.00 6.10 H new ATOM 0 HH12 ARG B 88 7.633 -0.228 -16.040 1.00 6.10 H new ATOM 0 HH21 ARG B 88 9.754 2.515 -16.777 1.00 5.91 H new ATOM 0 HH22 ARG B 88 9.137 0.958 -17.338 1.00 5.91 H new ATOM 3075 N LYS B 89 11.811 2.080 -9.517 1.00 0.89 N ATOM 3076 CA LYS B 89 12.845 2.811 -8.796 1.00 1.01 C ATOM 3077 C LYS B 89 13.777 1.863 -8.039 1.00 1.15 C ATOM 3078 O LYS B 89 13.889 1.942 -6.819 1.00 1.63 O ATOM 3079 CB LYS B 89 12.177 3.796 -7.831 1.00 1.17 C ATOM 3080 CG LYS B 89 11.500 4.963 -8.555 1.00 2.52 C ATOM 3081 CD LYS B 89 10.976 5.931 -7.485 1.00 2.74 C ATOM 3082 CE LYS B 89 11.078 7.403 -7.906 1.00 4.17 C ATOM 3083 NZ LYS B 89 10.150 7.743 -9.005 1.00 5.77 N ATOM 0 H LYS B 89 10.926 2.031 -9.012 1.00 0.89 H new ATOM 0 HA LYS B 89 13.457 3.357 -9.514 1.00 1.01 H new ATOM 0 HB2 LYS B 89 11.436 3.266 -7.232 1.00 1.17 H new ATOM 0 HB3 LYS B 89 12.925 4.186 -7.141 1.00 1.17 H new ATOM 0 HG2 LYS B 89 12.207 5.467 -9.214 1.00 2.52 H new ATOM 0 HG3 LYS B 89 10.682 4.604 -9.180 1.00 2.52 H new ATOM 0 HD2 LYS B 89 9.935 5.693 -7.266 1.00 2.74 H new ATOM 0 HD3 LYS B 89 11.538 5.783 -6.563 1.00 2.74 H new ATOM 0 HE2 LYS B 89 10.866 8.039 -7.046 1.00 4.17 H new ATOM 0 HE3 LYS B 89 12.100 7.618 -8.218 1.00 4.17 H new ATOM 0 HZ1 LYS B 89 10.676 8.207 -9.773 1.00 5.77 H new ATOM 0 HZ2 LYS B 89 9.705 6.875 -9.365 1.00 5.77 H new ATOM 0 HZ3 LYS B 89 9.414 8.387 -8.651 1.00 5.77 H new ATOM 3097 N LYS B 90 14.468 0.984 -8.761 1.00 1.78 N ATOM 3098 CA LYS B 90 15.311 -0.038 -8.149 1.00 2.31 C ATOM 3099 C LYS B 90 16.513 0.571 -7.405 1.00 2.11 C ATOM 3100 O LYS B 90 17.124 -0.090 -6.567 1.00 2.16 O ATOM 3101 CB LYS B 90 15.704 -1.061 -9.229 1.00 3.55 C ATOM 3102 CG LYS B 90 16.290 -2.380 -8.703 1.00 4.72 C ATOM 3103 CD LYS B 90 15.308 -3.159 -7.804 1.00 6.52 C ATOM 3104 CE LYS B 90 15.883 -3.326 -6.388 1.00 7.64 C ATOM 3105 NZ LYS B 90 14.848 -3.621 -5.382 1.00 9.65 N ATOM 0 H LYS B 90 14.459 0.960 -9.781 1.00 1.78 H new ATOM 0 HA LYS B 90 14.753 -0.562 -7.373 1.00 2.31 H new ATOM 0 HB2 LYS B 90 14.823 -1.288 -9.829 1.00 3.55 H new ATOM 0 HB3 LYS B 90 16.433 -0.599 -9.895 1.00 3.55 H new ATOM 0 HG2 LYS B 90 16.576 -3.007 -9.548 1.00 4.72 H new ATOM 0 HG3 LYS B 90 17.199 -2.169 -8.141 1.00 4.72 H new ATOM 0 HD2 LYS B 90 14.355 -2.632 -7.755 1.00 6.52 H new ATOM 0 HD3 LYS B 90 15.108 -4.138 -8.239 1.00 6.52 H new ATOM 0 HE2 LYS B 90 16.619 -4.130 -6.392 1.00 7.64 H new ATOM 0 HE3 LYS B 90 16.409 -2.414 -6.105 1.00 7.64 H new ATOM 0 HZ1 LYS B 90 15.299 -3.807 -4.464 1.00 9.65 H new ATOM 0 HZ2 LYS B 90 14.207 -2.807 -5.294 1.00 9.65 H new ATOM 0 HZ3 LYS B 90 14.306 -4.458 -5.677 1.00 9.65 H new ATOM 3119 N LYS B 91 16.874 1.821 -7.717 1.00 2.30 N ATOM 3120 CA LYS B 91 17.936 2.570 -7.050 1.00 2.69 C ATOM 3121 C LYS B 91 17.426 3.939 -6.600 1.00 2.36 C ATOM 3122 O LYS B 91 17.806 4.421 -5.525 1.00 2.39 O ATOM 3123 CB LYS B 91 19.115 2.674 -8.030 1.00 3.72 C ATOM 3124 CG LYS B 91 20.391 3.279 -7.433 1.00 4.33 C ATOM 3125 CD LYS B 91 21.489 3.282 -8.507 1.00 5.83 C ATOM 3126 CE LYS B 91 22.811 3.846 -7.962 1.00 6.55 C ATOM 3127 NZ LYS B 91 23.873 3.861 -8.992 1.00 8.18 N ATOM 0 H LYS B 91 16.421 2.351 -8.461 1.00 2.30 H new ATOM 0 HA LYS B 91 18.268 2.061 -6.145 1.00 2.69 H new ATOM 0 HB2 LYS B 91 19.344 1.678 -8.409 1.00 3.72 H new ATOM 0 HB3 LYS B 91 18.808 3.277 -8.884 1.00 3.72 H new ATOM 0 HG2 LYS B 91 20.200 4.295 -7.086 1.00 4.33 H new ATOM 0 HG3 LYS B 91 20.713 2.701 -6.567 1.00 4.33 H new ATOM 0 HD2 LYS B 91 21.648 2.266 -8.869 1.00 5.83 H new ATOM 0 HD3 LYS B 91 21.163 3.877 -9.360 1.00 5.83 H new ATOM 0 HE2 LYS B 91 22.649 4.859 -7.594 1.00 6.55 H new ATOM 0 HE3 LYS B 91 23.138 3.247 -7.112 1.00 6.55 H new ATOM 0 HZ1 LYS B 91 24.747 4.248 -8.583 1.00 8.18 H new ATOM 0 HZ2 LYS B 91 24.047 2.891 -9.326 1.00 8.18 H new ATOM 0 HZ3 LYS B 91 23.572 4.454 -9.792 1.00 8.18 H new ATOM 3141 N ASP B 92 16.546 4.542 -7.396 1.00 2.32 N ATOM 3142 CA ASP B 92 16.027 5.899 -7.283 1.00 2.29 C ATOM 3143 C ASP B 92 14.949 6.007 -6.195 1.00 2.52 C ATOM 3144 O ASP B 92 13.935 6.681 -6.384 1.00 2.86 O ATOM 3145 CB ASP B 92 15.453 6.312 -8.654 1.00 2.60 C ATOM 3146 CG ASP B 92 16.275 5.815 -9.837 1.00 3.90 C ATOM 3147 OD1 ASP B 92 16.286 4.570 -10.004 1.00 4.98 O ATOM 3148 OD2 ASP B 92 16.888 6.662 -10.516 1.00 4.60 O ATOM 0 H ASP B 92 16.148 4.055 -8.199 1.00 2.32 H new ATOM 0 HA ASP B 92 16.837 6.568 -6.992 1.00 2.29 H new ATOM 0 HB2 ASP B 92 14.436 5.929 -8.743 1.00 2.60 H new ATOM 0 HB3 ASP B 92 15.389 7.399 -8.699 1.00 2.60 H new ATOM 3153 N LEU B 93 15.151 5.321 -5.067 1.00 3.05 N ATOM 3154 CA LEU B 93 14.243 5.322 -3.930 1.00 3.64 C ATOM 3155 C LEU B 93 14.703 6.396 -2.936 1.00 3.38 C ATOM 3156 O LEU B 93 14.646 7.580 -3.255 1.00 3.40 O ATOM 3157 CB LEU B 93 14.116 3.903 -3.334 1.00 4.41 C ATOM 3158 CG LEU B 93 15.460 3.201 -3.045 1.00 5.31 C ATOM 3159 CD1 LEU B 93 15.430 2.486 -1.686 1.00 6.40 C ATOM 3160 CD2 LEU B 93 15.776 2.170 -4.132 1.00 6.17 C ATOM 0 H LEU B 93 15.974 4.736 -4.921 1.00 3.05 H new ATOM 0 HA LEU B 93 13.230 5.586 -4.234 1.00 3.64 H new ATOM 0 HB2 LEU B 93 13.546 3.963 -2.407 1.00 4.41 H new ATOM 0 HB3 LEU B 93 13.540 3.285 -4.022 1.00 4.41 H new ATOM 0 HG LEU B 93 16.231 3.972 -3.031 1.00 5.31 H new ATOM 0 HD11 LEU B 93 16.390 2.000 -1.509 1.00 6.40 H new ATOM 0 HD12 LEU B 93 15.240 3.213 -0.896 1.00 6.40 H new ATOM 0 HD13 LEU B 93 14.639 1.736 -1.687 1.00 6.40 H new ATOM 0 HD21 LEU B 93 16.727 1.687 -3.909 1.00 6.17 H new ATOM 0 HD22 LEU B 93 14.986 1.420 -4.162 1.00 6.17 H new ATOM 0 HD23 LEU B 93 15.840 2.669 -5.099 1.00 6.17 H new ATOM 3172 N LYS B 94 15.199 5.971 -1.769 1.00 3.53 N ATOM 3173 CA LYS B 94 15.614 6.797 -0.637 1.00 3.60 C ATOM 3174 C LYS B 94 14.435 7.580 -0.032 1.00 3.76 C ATOM 3175 O LYS B 94 13.445 7.872 -0.700 1.00 4.30 O ATOM 3176 CB LYS B 94 16.798 7.717 -1.000 1.00 3.56 C ATOM 3177 CG LYS B 94 18.163 7.022 -1.128 1.00 4.27 C ATOM 3178 CD LYS B 94 18.140 5.869 -2.136 1.00 5.70 C ATOM 3179 CE LYS B 94 19.545 5.402 -2.526 1.00 7.18 C ATOM 3180 NZ LYS B 94 19.482 4.222 -3.411 1.00 8.65 N ATOM 0 H LYS B 94 15.328 4.977 -1.581 1.00 3.53 H new ATOM 0 HA LYS B 94 15.969 6.118 0.138 1.00 3.60 H new ATOM 0 HB2 LYS B 94 16.573 8.214 -1.944 1.00 3.56 H new ATOM 0 HB3 LYS B 94 16.876 8.495 -0.241 1.00 3.56 H new ATOM 0 HG2 LYS B 94 18.912 7.753 -1.433 1.00 4.27 H new ATOM 0 HG3 LYS B 94 18.467 6.642 -0.153 1.00 4.27 H new ATOM 0 HD2 LYS B 94 17.587 5.031 -1.712 1.00 5.70 H new ATOM 0 HD3 LYS B 94 17.604 6.184 -3.031 1.00 5.70 H new ATOM 0 HE2 LYS B 94 20.075 6.211 -3.029 1.00 7.18 H new ATOM 0 HE3 LYS B 94 20.114 5.158 -1.629 1.00 7.18 H new ATOM 0 HZ1 LYS B 94 20.442 3.965 -3.716 1.00 8.65 H new ATOM 0 HZ2 LYS B 94 19.057 3.424 -2.896 1.00 8.65 H new ATOM 0 HZ3 LYS B 94 18.902 4.444 -4.245 1.00 8.65 H new ATOM 3194 N ILE B 95 14.534 7.905 1.260 1.00 4.21 N ATOM 3195 CA ILE B 95 13.536 8.666 2.000 1.00 5.04 C ATOM 3196 C ILE B 95 14.242 9.204 3.247 1.00 4.85 C ATOM 3197 O ILE B 95 14.855 8.428 3.975 1.00 5.56 O ATOM 3198 CB ILE B 95 12.305 7.775 2.305 1.00 6.89 C ATOM 3199 CG1 ILE B 95 11.063 8.540 2.802 1.00 8.12 C ATOM 3200 CG2 ILE B 95 12.613 6.556 3.191 1.00 8.08 C ATOM 3201 CD1 ILE B 95 11.171 9.214 4.175 1.00 8.71 C ATOM 0 H ILE B 95 15.335 7.636 1.832 1.00 4.21 H new ATOM 0 HA ILE B 95 13.139 9.507 1.432 1.00 5.04 H new ATOM 0 HB ILE B 95 12.041 7.385 1.322 1.00 6.89 H new ATOM 0 HG12 ILE B 95 10.818 9.306 2.066 1.00 8.12 H new ATOM 0 HG13 ILE B 95 10.224 7.845 2.830 1.00 8.12 H new ATOM 0 HG21 ILE B 95 11.699 5.986 3.356 1.00 8.08 H new ATOM 0 HG22 ILE B 95 13.350 5.924 2.696 1.00 8.08 H new ATOM 0 HG23 ILE B 95 13.009 6.893 4.149 1.00 8.08 H new ATOM 0 HD11 ILE B 95 10.233 9.717 4.408 1.00 8.71 H new ATOM 0 HD12 ILE B 95 11.377 8.460 4.935 1.00 8.71 H new ATOM 0 HD13 ILE B 95 11.980 9.944 4.159 1.00 8.71 H new ATOM 3213 N ARG B 96 14.221 10.522 3.472 1.00 4.19 N ATOM 3214 CA ARG B 96 14.728 11.132 4.694 1.00 4.19 C ATOM 3215 C ARG B 96 14.131 12.534 4.830 1.00 3.73 C ATOM 3216 O ARG B 96 14.053 13.248 3.833 1.00 3.58 O ATOM 3217 CB ARG B 96 16.268 11.167 4.702 1.00 4.43 C ATOM 3218 CG ARG B 96 16.869 12.081 3.623 1.00 4.79 C ATOM 3219 CD ARG B 96 18.395 11.917 3.571 1.00 5.43 C ATOM 3220 NE ARG B 96 19.036 12.969 2.762 1.00 5.85 N ATOM 3221 CZ ARG B 96 19.043 13.039 1.419 1.00 7.20 C ATOM 3222 NH1 ARG B 96 18.412 12.104 0.701 1.00 8.26 N ATOM 3223 NH2 ARG B 96 19.678 14.043 0.804 1.00 8.00 N ATOM 0 H ARG B 96 13.848 11.196 2.803 1.00 4.19 H new ATOM 0 HA ARG B 96 14.427 10.532 5.553 1.00 4.19 H new ATOM 0 HB2 ARG B 96 16.610 11.502 5.681 1.00 4.43 H new ATOM 0 HB3 ARG B 96 16.647 10.155 4.561 1.00 4.43 H new ATOM 0 HG2 ARG B 96 16.438 11.840 2.652 1.00 4.79 H new ATOM 0 HG3 ARG B 96 16.616 13.120 3.835 1.00 4.79 H new ATOM 0 HD2 ARG B 96 18.797 11.943 4.584 1.00 5.43 H new ATOM 0 HD3 ARG B 96 18.641 10.940 3.155 1.00 5.43 H new ATOM 0 HE ARG B 96 19.519 13.712 3.267 1.00 5.85 H new ATOM 0 HH11 ARG B 96 17.927 11.340 1.172 1.00 8.26 H new ATOM 0 HH12 ARG B 96 18.416 12.155 -0.318 1.00 8.26 H new ATOM 0 HH21 ARG B 96 20.157 14.756 1.354 1.00 8.00 H new ATOM 0 HH22 ARG B 96 19.683 14.095 -0.215 1.00 8.00 H new ATOM 3237 N LYS B 97 13.724 12.910 6.045 1.00 4.02 N ATOM 3238 CA LYS B 97 13.270 14.240 6.431 1.00 3.83 C ATOM 3239 C LYS B 97 12.918 14.196 7.920 1.00 4.45 C ATOM 3240 O LYS B 97 12.324 13.220 8.377 1.00 5.39 O ATOM 3241 CB LYS B 97 12.079 14.754 5.593 1.00 4.38 C ATOM 3242 CG LYS B 97 11.601 16.095 6.172 1.00 4.83 C ATOM 3243 CD LYS B 97 10.652 16.887 5.269 1.00 5.91 C ATOM 3244 CE LYS B 97 9.980 18.025 6.063 1.00 6.58 C ATOM 3245 NZ LYS B 97 10.939 18.850 6.836 1.00 6.39 N ATOM 0 H LYS B 97 13.703 12.255 6.826 1.00 4.02 H new ATOM 0 HA LYS B 97 14.074 14.950 6.238 1.00 3.83 H new ATOM 0 HB2 LYS B 97 12.377 14.878 4.552 1.00 4.38 H new ATOM 0 HB3 LYS B 97 11.267 14.027 5.607 1.00 4.38 H new ATOM 0 HG2 LYS B 97 11.101 15.906 7.122 1.00 4.83 H new ATOM 0 HG3 LYS B 97 12.473 16.712 6.388 1.00 4.83 H new ATOM 0 HD2 LYS B 97 11.204 17.300 4.425 1.00 5.91 H new ATOM 0 HD3 LYS B 97 9.891 16.223 4.858 1.00 5.91 H new ATOM 0 HE2 LYS B 97 9.434 18.667 5.372 1.00 6.58 H new ATOM 0 HE3 LYS B 97 9.247 17.597 6.747 1.00 6.58 H new ATOM 0 HZ1 LYS B 97 10.466 19.716 7.164 1.00 6.39 H new ATOM 0 HZ2 LYS B 97 11.280 18.309 7.656 1.00 6.39 H new ATOM 0 HZ3 LYS B 97 11.745 19.104 6.230 1.00 6.39 H new ATOM 3259 N LYS B 98 13.291 15.244 8.658 1.00 4.29 N ATOM 3260 CA LYS B 98 12.648 15.633 9.899 1.00 4.86 C ATOM 3261 C LYS B 98 12.003 16.991 9.606 1.00 4.51 C ATOM 3262 O LYS B 98 12.447 17.639 8.631 1.00 4.16 O ATOM 3263 CB LYS B 98 13.695 15.694 11.025 1.00 5.49 C ATOM 3264 CG LYS B 98 13.187 16.319 12.334 1.00 6.21 C ATOM 3265 CD LYS B 98 12.102 15.482 13.036 1.00 7.26 C ATOM 3266 CE LYS B 98 11.042 16.379 13.694 1.00 7.28 C ATOM 3267 NZ LYS B 98 10.127 16.972 12.695 1.00 7.04 N ATOM 3268 OXT LYS B 98 11.038 17.352 10.315 1.00 5.21 O ATOM 0 H LYS B 98 14.066 15.854 8.397 1.00 4.29 H new ATOM 0 HA LYS B 98 11.892 14.925 10.238 1.00 4.86 H new ATOM 0 HB2 LYS B 98 14.047 14.683 11.232 1.00 5.49 H new ATOM 0 HB3 LYS B 98 14.555 16.265 10.674 1.00 5.49 H new ATOM 0 HG2 LYS B 98 14.028 16.452 13.014 1.00 6.21 H new ATOM 0 HG3 LYS B 98 12.789 17.311 12.122 1.00 6.21 H new ATOM 0 HD2 LYS B 98 11.624 14.822 12.312 1.00 7.26 H new ATOM 0 HD3 LYS B 98 12.563 14.846 13.792 1.00 7.26 H new ATOM 0 HE2 LYS B 98 10.467 15.795 14.412 1.00 7.28 H new ATOM 0 HE3 LYS B 98 11.535 17.175 14.253 1.00 7.28 H new ATOM 0 HZ1 LYS B 98 10.110 18.006 12.810 1.00 7.04 H new ATOM 0 HZ2 LYS B 98 10.458 16.735 11.738 1.00 7.04 H new ATOM 0 HZ3 LYS B 98 9.169 16.593 12.834 1.00 7.04 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.166 11.989 -14.850 1.00 0.86 CA HETATM 3284 CA CA A 198 1.646 16.462 -4.317 1.00 0.98 CA HETATM 3285 CA CA B 199 3.017 -10.365 15.875 1.00 1.11 CA HETATM 3286 CA CA B 200 5.842 1.561 15.348 1.00 1.03 CA