USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=43 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 Set 1.1: A 51 LYS NZ :NH3+ -169:sc= 0.511 (180deg=0.455) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 85 LYS NZ :NH3+ 173:sc= 0.0688 (180deg=0.0486) USER MOD Set 2.2: B 74 ASN : amide:sc= 0 X(o=0.069,f=0.49) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.03) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.156 (180deg=0.073) USER MOD Single : A 7 THR OG1 : rot 178:sc= 0.624 USER MOD Single : A 12 SER OG : rot 64:sc= 0.607 USER MOD Single : A 15 THR OG1 : rot 64:sc= 1.19 USER MOD Single : A 18 THR OG1 : rot -75:sc= -0.116 USER MOD Single : A 19 THR OG1 : rot 80:sc= 0.052 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.088) USER MOD Single : A 32 SER OG : rot 160:sc= -0.164 USER MOD Single : A 34 SER OG : rot -170:sc= -0.178 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 84:sc= 0.852 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.1) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 18:sc= 0.663 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.0437 (180deg=0.0375) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 62 SER OG : rot 104:sc= 0.698 USER MOD Single : A 66 ASN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 67 GLN : amide:sc= -0.0602 X(o=-0.06,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.757 (180deg=0.757) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0523) USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0222) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -174:sc= -0.156 (180deg=-0.275) USER MOD Single : B 7 THR OG1 : rot 120:sc= 1.03 USER MOD Single : B 12 SER OG : rot 66:sc= 0.541 USER MOD Single : B 15 THR OG1 : rot 62:sc= 1.21 USER MOD Single : B 18 THR OG1 : rot -13:sc= 0.309 USER MOD Single : B 19 THR OG1 : rot -118:sc= 1.25 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 130:sc= -0.094 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.86) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc=-0.00293 (180deg=-0.00293) USER MOD Single : B 43 THR OG1 : rot 75:sc= 0.705 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 51 LYS NZ :NH3+ 168:sc= 0.244 (180deg=0.0585) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 163:sc= 0.0955 (180deg=0.0358) USER MOD Single : B 60 MET CE :methyl 171:sc= 0 (180deg=-0.0603) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 84:sc= 0.194 USER MOD Single : B 66 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 67 GLN : amide:sc= -0.0914 K(o=-0.091,f=-1.3!) USER MOD Single : B 69 SER OG : rot -48:sc= 0.31 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.625) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0604) USER MOD Single : B 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0251) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.801 16.617 6.673 1.00 1.04 N ATOM 2 CA MET A 1 7.667 15.405 6.501 1.00 0.91 C ATOM 3 C MET A 1 7.769 14.538 7.787 1.00 0.73 C ATOM 4 O MET A 1 8.684 13.712 7.894 1.00 0.96 O ATOM 5 CB MET A 1 9.082 15.814 6.016 1.00 1.31 C ATOM 6 CG MET A 1 9.807 16.837 6.908 1.00 1.57 C ATOM 7 SD MET A 1 11.590 16.905 6.611 1.00 2.18 S ATOM 8 CE MET A 1 12.158 15.422 7.448 1.00 2.71 C ATOM 0 H1 MET A 1 7.087 17.348 5.991 1.00 1.04 H new ATOM 0 H2 MET A 1 5.807 16.360 6.508 1.00 1.04 H new ATOM 0 H3 MET A 1 6.907 16.985 7.640 1.00 1.04 H new ATOM 0 HA MET A 1 7.185 14.786 5.744 1.00 0.91 H new ATOM 0 HB2 MET A 1 9.698 14.917 5.944 1.00 1.31 H new ATOM 0 HB3 MET A 1 9.000 16.226 5.010 1.00 1.31 H new ATOM 0 HG2 MET A 1 9.379 17.825 6.738 1.00 1.57 H new ATOM 0 HG3 MET A 1 9.629 16.588 7.954 1.00 1.57 H new ATOM 0 HE1 MET A 1 13.248 15.402 7.453 1.00 2.71 H new ATOM 0 HE2 MET A 1 11.790 15.420 8.474 1.00 2.71 H new ATOM 0 HE3 MET A 1 11.781 14.543 6.926 1.00 2.71 H new ATOM 20 N ALA A 2 6.825 14.702 8.743 1.00 0.77 N ATOM 21 CA ALA A 2 6.829 13.934 10.004 1.00 0.71 C ATOM 22 C ALA A 2 5.555 13.088 10.151 1.00 0.59 C ATOM 23 O ALA A 2 4.464 13.522 9.770 1.00 0.68 O ATOM 24 CB ALA A 2 6.987 14.880 11.195 1.00 1.02 C ATOM 0 H ALA A 2 6.051 15.361 8.662 1.00 0.77 H new ATOM 0 HA ALA A 2 7.677 13.250 9.980 1.00 0.71 H new ATOM 0 HB1 ALA A 2 6.989 14.303 12.120 1.00 1.02 H new ATOM 0 HB2 ALA A 2 7.927 15.424 11.105 1.00 1.02 H new ATOM 0 HB3 ALA A 2 6.158 15.588 11.210 1.00 1.02 H new ATOM 30 N ALA A 3 5.707 11.880 10.723 1.00 0.56 N ATOM 31 CA ALA A 3 4.583 10.950 10.927 1.00 0.54 C ATOM 32 C ALA A 3 3.956 11.125 12.323 1.00 0.55 C ATOM 33 O ALA A 3 4.670 11.110 13.331 1.00 0.70 O ATOM 34 CB ALA A 3 5.056 9.513 10.716 1.00 0.66 C ATOM 0 H ALA A 3 6.604 11.524 11.054 1.00 0.56 H new ATOM 0 HA ALA A 3 3.809 11.178 10.194 1.00 0.54 H new ATOM 0 HB1 ALA A 3 4.221 8.829 10.868 1.00 0.66 H new ATOM 0 HB2 ALA A 3 5.437 9.401 9.701 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.848 9.282 11.428 1.00 0.66 H new ATOM 40 N GLU A 4 2.612 11.287 12.364 1.00 0.52 N ATOM 41 CA GLU A 4 1.862 11.483 13.623 1.00 0.55 C ATOM 42 C GLU A 4 0.757 10.409 13.790 1.00 0.52 C ATOM 43 O GLU A 4 0.046 10.125 12.820 1.00 0.50 O ATOM 44 CB GLU A 4 1.224 12.893 13.629 1.00 0.61 C ATOM 45 CG GLU A 4 0.727 13.359 14.997 1.00 0.74 C ATOM 46 CD GLU A 4 0.109 14.748 14.962 1.00 0.86 C ATOM 47 OE1 GLU A 4 0.869 15.737 14.885 1.00 1.02 O ATOM 48 OE2 GLU A 4 -1.136 14.846 15.015 1.00 0.94 O ATOM 0 H GLU A 4 2.023 11.285 11.531 1.00 0.52 H new ATOM 0 HA GLU A 4 2.558 11.387 14.456 1.00 0.55 H new ATOM 0 HB2 GLU A 4 1.956 13.611 13.259 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.387 12.902 12.930 1.00 0.61 H new ATOM 0 HG2 GLU A 4 -0.010 12.649 15.371 1.00 0.74 H new ATOM 0 HG3 GLU A 4 1.559 13.355 15.701 1.00 0.74 H new ATOM 55 N PRO A 5 0.581 9.796 15.014 1.00 0.57 N ATOM 56 CA PRO A 5 -0.468 8.769 15.253 1.00 0.59 C ATOM 57 C PRO A 5 -1.895 9.267 14.937 1.00 0.53 C ATOM 58 O PRO A 5 -2.258 10.394 15.296 1.00 0.59 O ATOM 59 CB PRO A 5 -0.329 8.442 16.749 1.00 0.74 C ATOM 60 CG PRO A 5 1.070 8.819 17.091 1.00 0.73 C ATOM 61 CD PRO A 5 1.388 10.021 16.243 1.00 0.67 C ATOM 0 HA PRO A 5 -0.330 7.908 14.599 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -1.047 9.004 17.345 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.512 7.385 16.942 1.00 0.74 H new ATOM 0 HG2 PRO A 5 1.164 9.052 18.152 1.00 0.73 H new ATOM 0 HG3 PRO A 5 1.758 8.000 16.882 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.111 10.950 16.742 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.453 10.085 16.019 1.00 0.67 H new ATOM 69 N LEU A 6 -2.689 8.414 14.260 1.00 0.58 N ATOM 70 CA LEU A 6 -4.076 8.742 13.857 1.00 0.67 C ATOM 71 C LEU A 6 -4.998 7.503 14.091 1.00 0.71 C ATOM 72 O LEU A 6 -4.681 6.668 14.946 1.00 1.19 O ATOM 73 CB LEU A 6 -4.067 9.204 12.373 1.00 0.84 C ATOM 74 CG LEU A 6 -3.279 10.507 12.062 1.00 0.91 C ATOM 75 CD1 LEU A 6 -2.798 10.523 10.608 1.00 1.14 C ATOM 76 CD2 LEU A 6 -4.123 11.754 12.358 1.00 1.03 C ATOM 0 H LEU A 6 -2.391 7.481 13.977 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.475 9.556 14.462 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -3.651 8.399 11.767 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.099 9.344 12.052 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.407 10.525 12.715 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -2.250 11.445 10.416 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -2.144 9.669 10.432 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -3.657 10.466 9.940 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.543 12.648 12.130 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -5.023 11.739 11.743 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -4.403 11.762 13.411 1.00 1.03 H new ATOM 88 N THR A 7 -6.141 7.387 13.355 1.00 0.52 N ATOM 89 CA THR A 7 -7.075 6.232 13.501 1.00 0.52 C ATOM 90 C THR A 7 -6.379 4.881 13.193 1.00 0.49 C ATOM 91 O THR A 7 -5.220 4.865 12.795 1.00 0.56 O ATOM 92 CB THR A 7 -8.331 6.382 12.589 1.00 0.58 C ATOM 93 OG1 THR A 7 -7.937 6.566 11.222 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.210 7.552 13.025 1.00 0.94 C ATOM 0 H THR A 7 -6.435 8.073 12.660 1.00 0.52 H new ATOM 0 HA THR A 7 -7.393 6.233 14.543 1.00 0.52 H new ATOM 0 HB THR A 7 -8.911 5.464 12.684 1.00 0.58 H new ATOM 0 HG1 THR A 7 -8.735 6.629 10.657 1.00 0.98 H new ATOM 0 HG21 THR A 7 -10.075 7.623 12.365 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.547 7.392 14.049 1.00 0.94 H new ATOM 0 HG23 THR A 7 -8.636 8.477 12.973 1.00 0.94 H new ATOM 102 N GLU A 8 -7.102 3.754 13.367 1.00 0.51 N ATOM 103 CA GLU A 8 -6.543 2.399 13.135 1.00 0.50 C ATOM 104 C GLU A 8 -5.984 2.203 11.704 1.00 0.46 C ATOM 105 O GLU A 8 -4.898 1.640 11.550 1.00 0.48 O ATOM 106 CB GLU A 8 -7.600 1.325 13.465 1.00 0.55 C ATOM 107 CG GLU A 8 -7.018 -0.041 13.823 1.00 0.91 C ATOM 108 CD GLU A 8 -8.073 -1.007 14.338 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.469 -0.883 15.517 1.00 1.42 O ATOM 110 OE2 GLU A 8 -8.507 -1.882 13.562 1.00 1.14 O ATOM 0 H GLU A 8 -8.077 3.753 13.668 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.692 2.289 13.807 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.210 1.676 14.297 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.264 1.211 12.608 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.537 -0.469 12.944 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.244 0.085 14.581 1.00 0.91 H new ATOM 117 N LEU A 9 -6.722 2.655 10.661 1.00 0.45 N ATOM 118 CA LEU A 9 -6.249 2.523 9.260 1.00 0.44 C ATOM 119 C LEU A 9 -5.169 3.573 8.940 1.00 0.42 C ATOM 120 O LEU A 9 -4.210 3.276 8.219 1.00 0.43 O ATOM 121 CB LEU A 9 -7.412 2.631 8.245 1.00 0.48 C ATOM 122 CG LEU A 9 -8.261 1.341 8.065 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.625 1.480 8.738 1.00 0.65 C ATOM 124 CD2 LEU A 9 -8.428 0.984 6.584 1.00 0.65 C ATOM 0 H LEU A 9 -7.631 3.107 10.759 1.00 0.45 H new ATOM 0 HA LEU A 9 -5.813 1.529 9.165 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -8.072 3.439 8.559 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -7.001 2.914 7.276 1.00 0.48 H new ATOM 0 HG LEU A 9 -7.722 0.527 8.550 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.196 0.563 8.595 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -9.488 1.660 9.804 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -10.166 2.317 8.295 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -9.026 0.077 6.493 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -8.929 1.802 6.067 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.448 0.818 6.137 1.00 0.65 H new ATOM 136 N GLU A 10 -5.335 4.801 9.478 1.00 0.42 N ATOM 137 CA GLU A 10 -4.358 5.891 9.279 1.00 0.44 C ATOM 138 C GLU A 10 -3.061 5.647 10.083 1.00 0.44 C ATOM 139 O GLU A 10 -2.025 6.234 9.764 1.00 0.48 O ATOM 140 CB GLU A 10 -4.970 7.252 9.668 1.00 0.49 C ATOM 141 CG GLU A 10 -6.063 7.746 8.718 1.00 0.54 C ATOM 142 CD GLU A 10 -6.451 9.194 8.964 1.00 0.63 C ATOM 143 OE1 GLU A 10 -5.644 10.084 8.620 1.00 1.03 O ATOM 144 OE2 GLU A 10 -7.554 9.437 9.496 1.00 0.96 O ATOM 0 H GLU A 10 -6.136 5.061 10.053 1.00 0.42 H new ATOM 0 HA GLU A 10 -4.102 5.906 8.220 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -5.385 7.176 10.673 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -4.175 7.997 9.707 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -5.719 7.637 7.689 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -6.945 7.115 8.828 1.00 0.54 H new ATOM 151 N GLU A 11 -3.131 4.787 11.130 1.00 0.44 N ATOM 152 CA GLU A 11 -1.969 4.448 11.970 1.00 0.46 C ATOM 153 C GLU A 11 -1.189 3.259 11.369 1.00 0.45 C ATOM 154 O GLU A 11 0.010 3.127 11.622 1.00 0.47 O ATOM 155 CB GLU A 11 -2.412 4.121 13.415 1.00 0.52 C ATOM 156 CG GLU A 11 -1.268 4.004 14.426 1.00 0.61 C ATOM 157 CD GLU A 11 -1.757 3.681 15.831 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.380 4.562 16.461 1.00 0.79 O ATOM 159 OE2 GLU A 11 -1.518 2.547 16.296 1.00 0.81 O ATOM 0 H GLU A 11 -3.991 4.315 11.409 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.311 5.316 11.999 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -3.100 4.896 13.754 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -2.968 3.183 13.406 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.577 3.227 14.099 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.709 4.940 14.446 1.00 0.61 H new ATOM 166 N SER A 12 -1.877 2.395 10.578 1.00 0.45 N ATOM 167 CA SER A 12 -1.238 1.225 9.937 1.00 0.47 C ATOM 168 C SER A 12 -0.076 1.661 9.030 1.00 0.44 C ATOM 169 O SER A 12 1.056 1.213 9.218 1.00 0.49 O ATOM 170 CB SER A 12 -2.272 0.414 9.138 1.00 0.52 C ATOM 171 OG SER A 12 -3.220 -0.182 10.004 1.00 0.63 O ATOM 0 H SER A 12 -2.871 2.490 10.372 1.00 0.45 H new ATOM 0 HA SER A 12 -0.833 0.588 10.724 1.00 0.47 H new ATOM 0 HB2 SER A 12 -2.781 1.065 8.427 1.00 0.52 H new ATOM 0 HB3 SER A 12 -1.766 -0.358 8.558 1.00 0.52 H new ATOM 0 HG SER A 12 -3.734 0.518 10.458 1.00 0.63 H new ATOM 177 N ILE A 13 -0.361 2.548 8.053 1.00 0.42 N ATOM 178 CA ILE A 13 0.681 3.072 7.143 1.00 0.43 C ATOM 179 C ILE A 13 1.648 4.027 7.892 1.00 0.41 C ATOM 180 O ILE A 13 2.800 4.185 7.482 1.00 0.46 O ATOM 181 CB ILE A 13 0.092 3.777 5.864 1.00 0.47 C ATOM 182 CG1 ILE A 13 -0.903 4.926 6.197 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.580 2.744 4.950 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.264 6.213 6.695 1.00 0.44 C ATOM 0 H ILE A 13 -1.296 2.914 7.874 1.00 0.42 H new ATOM 0 HA ILE A 13 1.239 2.203 6.793 1.00 0.43 H new ATOM 0 HB ILE A 13 0.935 4.236 5.348 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.486 5.151 5.304 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.603 4.571 6.953 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -0.983 3.245 4.070 1.00 0.56 H new ATOM 0 HG22 ILE A 13 0.154 2.000 4.640 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.389 2.252 5.490 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.041 6.950 6.899 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.294 6.012 7.609 1.00 0.44 H new ATOM 0 HD13 ILE A 13 0.413 6.601 5.934 1.00 0.44 H new ATOM 196 N GLU A 14 1.161 4.652 8.992 1.00 0.39 N ATOM 197 CA GLU A 14 1.961 5.577 9.823 1.00 0.40 C ATOM 198 C GLU A 14 3.035 4.814 10.624 1.00 0.41 C ATOM 199 O GLU A 14 4.144 5.324 10.809 1.00 0.44 O ATOM 200 CB GLU A 14 1.026 6.367 10.766 1.00 0.43 C ATOM 201 CG GLU A 14 1.697 7.436 11.641 1.00 0.52 C ATOM 202 CD GLU A 14 2.082 6.954 13.040 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.589 5.889 13.475 1.00 0.93 O ATOM 204 OE2 GLU A 14 2.878 7.651 13.703 1.00 1.00 O ATOM 0 H GLU A 14 0.205 4.528 9.325 1.00 0.39 H new ATOM 0 HA GLU A 14 2.479 6.279 9.169 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.258 6.850 10.162 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.518 5.658 11.419 1.00 0.43 H new ATOM 0 HG2 GLU A 14 2.593 7.794 11.134 1.00 0.52 H new ATOM 0 HG3 GLU A 14 1.023 8.287 11.736 1.00 0.52 H new ATOM 211 N THR A 15 2.695 3.593 11.099 1.00 0.42 N ATOM 212 CA THR A 15 3.640 2.745 11.851 1.00 0.45 C ATOM 213 C THR A 15 4.845 2.347 10.965 1.00 0.43 C ATOM 214 O THR A 15 5.951 2.147 11.477 1.00 0.45 O ATOM 215 CB THR A 15 2.941 1.472 12.424 1.00 0.50 C ATOM 216 OG1 THR A 15 1.758 1.850 13.141 1.00 0.65 O ATOM 217 CG2 THR A 15 3.860 0.692 13.369 1.00 0.77 C ATOM 0 H THR A 15 1.773 3.176 10.973 1.00 0.42 H new ATOM 0 HA THR A 15 4.005 3.332 12.694 1.00 0.45 H new ATOM 0 HB THR A 15 2.690 0.830 11.579 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.119 2.262 12.523 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.335 -0.186 13.745 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.753 0.377 12.830 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.147 1.329 14.206 1.00 0.77 H new ATOM 225 N VAL A 16 4.620 2.247 9.634 1.00 0.41 N ATOM 226 CA VAL A 16 5.680 1.911 8.661 1.00 0.42 C ATOM 227 C VAL A 16 6.652 3.108 8.473 1.00 0.42 C ATOM 228 O VAL A 16 7.835 2.899 8.185 1.00 0.46 O ATOM 229 CB VAL A 16 5.076 1.491 7.273 1.00 0.44 C ATOM 230 CG1 VAL A 16 6.166 1.144 6.250 1.00 0.50 C ATOM 231 CG2 VAL A 16 4.108 0.314 7.421 1.00 0.49 C ATOM 0 H VAL A 16 3.705 2.396 9.209 1.00 0.41 H new ATOM 0 HA VAL A 16 6.233 1.062 9.063 1.00 0.42 H new ATOM 0 HB VAL A 16 4.526 2.355 6.900 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.702 0.860 5.306 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.807 2.012 6.092 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.765 0.314 6.624 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.707 0.047 6.443 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.637 -0.541 7.842 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.290 0.597 8.084 1.00 0.49 H new ATOM 241 N VAL A 17 6.140 4.355 8.632 1.00 0.42 N ATOM 242 CA VAL A 17 6.952 5.583 8.483 1.00 0.47 C ATOM 243 C VAL A 17 7.346 6.156 9.884 1.00 0.55 C ATOM 244 O VAL A 17 7.369 7.373 10.085 1.00 0.95 O ATOM 245 CB VAL A 17 6.193 6.672 7.624 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.135 7.794 7.164 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.497 6.050 6.405 1.00 0.52 C ATOM 0 H VAL A 17 5.163 4.533 8.865 1.00 0.42 H new ATOM 0 HA VAL A 17 7.865 5.318 7.950 1.00 0.47 H new ATOM 0 HB VAL A 17 5.434 7.103 8.277 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.575 8.522 6.577 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.567 8.286 8.035 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.933 7.372 6.553 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.987 6.830 5.840 1.00 0.52 H new ATOM 0 HG22 VAL A 17 6.239 5.568 5.769 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.770 5.310 6.739 1.00 0.52 H new ATOM 257 N THR A 18 7.660 5.257 10.848 1.00 0.47 N ATOM 258 CA THR A 18 8.074 5.655 12.217 1.00 0.51 C ATOM 259 C THR A 18 9.159 4.712 12.763 1.00 0.51 C ATOM 260 O THR A 18 10.208 5.178 13.220 1.00 0.60 O ATOM 261 CB THR A 18 6.887 5.695 13.226 1.00 0.56 C ATOM 262 OG1 THR A 18 6.067 4.528 13.081 1.00 0.57 O ATOM 263 CG2 THR A 18 6.032 6.950 13.051 1.00 0.62 C ATOM 0 H THR A 18 7.634 4.248 10.702 1.00 0.47 H new ATOM 0 HA THR A 18 8.470 6.666 12.122 1.00 0.51 H new ATOM 0 HB THR A 18 7.316 5.717 14.228 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.518 4.612 12.274 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.216 6.938 13.774 1.00 0.62 H new ATOM 0 HG22 THR A 18 6.647 7.835 13.213 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.622 6.973 12.041 1.00 0.62 H new ATOM 271 N THR A 19 8.901 3.383 12.719 1.00 0.49 N ATOM 272 CA THR A 19 9.864 2.371 13.207 1.00 0.53 C ATOM 273 C THR A 19 11.132 2.330 12.323 1.00 0.53 C ATOM 274 O THR A 19 12.244 2.226 12.851 1.00 0.62 O ATOM 275 CB THR A 19 9.221 0.948 13.285 1.00 0.55 C ATOM 276 OG1 THR A 19 7.898 1.037 13.834 1.00 0.56 O ATOM 277 CG2 THR A 19 10.051 -0.006 14.153 1.00 0.66 C ATOM 0 H THR A 19 8.035 2.989 12.351 1.00 0.49 H new ATOM 0 HA THR A 19 10.151 2.670 14.215 1.00 0.53 H new ATOM 0 HB THR A 19 9.186 0.552 12.270 1.00 0.55 H new ATOM 0 HG1 THR A 19 7.273 1.325 13.136 1.00 0.56 H new ATOM 0 HG21 THR A 19 9.570 -0.984 14.181 1.00 0.66 H new ATOM 0 HG22 THR A 19 11.051 -0.106 13.730 1.00 0.66 H new ATOM 0 HG23 THR A 19 10.123 0.392 15.165 1.00 0.66 H new ATOM 285 N PHE A 20 10.955 2.416 10.983 1.00 0.53 N ATOM 286 CA PHE A 20 12.086 2.406 10.032 1.00 0.57 C ATOM 287 C PHE A 20 12.291 3.803 9.384 1.00 0.57 C ATOM 288 O PHE A 20 12.625 3.905 8.197 1.00 0.89 O ATOM 289 CB PHE A 20 11.873 1.306 8.957 1.00 0.64 C ATOM 290 CG PHE A 20 13.145 0.897 8.229 1.00 0.71 C ATOM 291 CD1 PHE A 20 14.082 0.078 8.847 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.413 1.347 6.938 1.00 0.76 C ATOM 293 CE1 PHE A 20 15.248 -0.281 8.197 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.579 0.991 6.290 1.00 0.86 C ATOM 295 CZ PHE A 20 15.498 0.177 6.920 1.00 0.93 C ATOM 0 H PHE A 20 10.040 2.493 10.539 1.00 0.53 H new ATOM 0 HA PHE A 20 12.997 2.172 10.583 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.440 0.426 9.433 1.00 0.64 H new ATOM 0 HB3 PHE A 20 11.147 1.662 8.226 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.897 -0.283 9.848 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.699 1.983 6.437 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.965 -0.921 8.690 1.00 0.95 H new ATOM 0 HE2 PHE A 20 14.772 1.350 5.290 1.00 0.86 H new ATOM 0 HZ PHE A 20 16.411 -0.101 6.414 1.00 0.93 H new ATOM 305 N PHE A 21 12.097 4.881 10.178 1.00 0.71 N ATOM 306 CA PHE A 21 12.293 6.265 9.691 1.00 0.73 C ATOM 307 C PHE A 21 13.711 6.752 10.042 1.00 0.66 C ATOM 308 O PHE A 21 14.321 7.501 9.273 1.00 0.67 O ATOM 309 CB PHE A 21 11.230 7.221 10.283 1.00 1.04 C ATOM 310 CG PHE A 21 11.057 8.510 9.498 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.324 8.523 8.316 1.00 1.97 C ATOM 312 CD2 PHE A 21 11.627 9.701 9.936 1.00 2.34 C ATOM 313 CE1 PHE A 21 10.162 9.690 7.594 1.00 2.74 C ATOM 314 CE2 PHE A 21 11.467 10.869 9.214 1.00 3.02 C ATOM 315 CZ PHE A 21 10.732 10.863 8.043 1.00 3.17 C ATOM 0 H PHE A 21 11.806 4.819 11.154 1.00 0.71 H new ATOM 0 HA PHE A 21 12.176 6.266 8.607 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.272 6.702 10.326 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.506 7.466 11.309 1.00 1.04 H new ATOM 0 HD1 PHE A 21 9.875 7.608 7.958 1.00 1.97 H new ATOM 0 HD2 PHE A 21 12.201 9.713 10.851 1.00 2.34 H new ATOM 0 HE1 PHE A 21 9.589 9.684 6.678 1.00 2.74 H new ATOM 0 HE2 PHE A 21 11.916 11.786 9.565 1.00 3.02 H new ATOM 0 HZ PHE A 21 10.604 11.776 7.480 1.00 3.17 H new ATOM 325 N THR A 22 14.224 6.317 11.214 1.00 0.75 N ATOM 326 CA THR A 22 15.578 6.667 11.678 1.00 0.89 C ATOM 327 C THR A 22 16.664 5.937 10.845 1.00 0.82 C ATOM 328 O THR A 22 17.770 6.459 10.673 1.00 0.97 O ATOM 329 CB THR A 22 15.754 6.318 13.192 1.00 1.11 C ATOM 330 OG1 THR A 22 14.585 6.713 13.934 1.00 1.25 O ATOM 331 CG2 THR A 22 16.983 6.995 13.802 1.00 1.37 C ATOM 0 H THR A 22 13.711 5.716 11.860 1.00 0.75 H new ATOM 0 HA THR A 22 15.701 7.742 11.544 1.00 0.89 H new ATOM 0 HB THR A 22 15.893 5.239 13.254 1.00 1.11 H new ATOM 0 HG1 THR A 22 14.706 6.488 14.880 1.00 1.25 H new ATOM 0 HG21 THR A 22 17.063 6.723 14.854 1.00 1.37 H new ATOM 0 HG22 THR A 22 17.878 6.668 13.273 1.00 1.37 H new ATOM 0 HG23 THR A 22 16.884 8.077 13.714 1.00 1.37 H new ATOM 339 N PHE A 23 16.335 4.729 10.336 1.00 0.69 N ATOM 340 CA PHE A 23 17.267 3.922 9.521 1.00 0.76 C ATOM 341 C PHE A 23 17.211 4.307 8.028 1.00 0.69 C ATOM 342 O PHE A 23 18.225 4.203 7.330 1.00 0.82 O ATOM 343 CB PHE A 23 16.975 2.417 9.699 1.00 0.87 C ATOM 344 CG PHE A 23 17.199 1.916 11.115 1.00 1.04 C ATOM 345 CD1 PHE A 23 18.450 1.458 11.516 1.00 1.34 C ATOM 346 CD2 PHE A 23 16.164 1.916 12.049 1.00 1.01 C ATOM 347 CE1 PHE A 23 18.661 1.016 12.808 1.00 1.55 C ATOM 348 CE2 PHE A 23 16.374 1.470 13.341 1.00 1.24 C ATOM 349 CZ PHE A 23 17.624 1.021 13.720 1.00 1.49 C ATOM 0 H PHE A 23 15.425 4.290 10.477 1.00 0.69 H new ATOM 0 HA PHE A 23 18.276 4.134 9.876 1.00 0.76 H new ATOM 0 HB2 PHE A 23 15.942 2.220 9.412 1.00 0.87 H new ATOM 0 HB3 PHE A 23 17.609 1.850 9.018 1.00 0.87 H new ATOM 0 HD1 PHE A 23 19.266 1.448 10.809 1.00 1.34 H new ATOM 0 HD2 PHE A 23 15.185 2.269 11.760 1.00 1.01 H new ATOM 0 HE1 PHE A 23 19.639 0.666 13.105 1.00 1.55 H new ATOM 0 HE2 PHE A 23 15.562 1.473 14.053 1.00 1.24 H new ATOM 0 HZ PHE A 23 17.790 0.674 14.729 1.00 1.49 H new ATOM 359 N ALA A 24 16.031 4.756 7.544 1.00 0.59 N ATOM 360 CA ALA A 24 15.859 5.165 6.134 1.00 0.67 C ATOM 361 C ALA A 24 16.541 6.518 5.801 1.00 0.62 C ATOM 362 O ALA A 24 16.725 6.830 4.623 1.00 0.83 O ATOM 363 CB ALA A 24 14.372 5.229 5.775 1.00 0.82 C ATOM 0 H ALA A 24 15.186 4.844 8.109 1.00 0.59 H new ATOM 0 HA ALA A 24 16.355 4.404 5.531 1.00 0.67 H new ATOM 0 HB1 ALA A 24 14.262 5.532 4.734 1.00 0.82 H new ATOM 0 HB2 ALA A 24 13.921 4.247 5.917 1.00 0.82 H new ATOM 0 HB3 ALA A 24 13.873 5.954 6.418 1.00 0.82 H new ATOM 369 N ARG A 25 16.927 7.311 6.833 1.00 0.61 N ATOM 370 CA ARG A 25 17.569 8.630 6.621 1.00 0.65 C ATOM 371 C ARG A 25 19.122 8.577 6.617 1.00 0.69 C ATOM 372 O ARG A 25 19.767 9.630 6.644 1.00 0.88 O ATOM 373 CB ARG A 25 17.068 9.651 7.674 1.00 0.75 C ATOM 374 CG ARG A 25 17.404 9.312 9.136 1.00 0.78 C ATOM 375 CD ARG A 25 16.997 10.436 10.087 1.00 0.97 C ATOM 376 NE ARG A 25 17.401 10.179 11.481 1.00 1.09 N ATOM 377 CZ ARG A 25 17.131 10.994 12.526 1.00 1.32 C ATOM 378 NH1 ARG A 25 16.385 12.099 12.376 1.00 1.55 N ATOM 379 NH2 ARG A 25 17.602 10.688 13.738 1.00 1.47 N ATOM 0 H ARG A 25 16.805 7.060 7.814 1.00 0.61 H new ATOM 0 HA ARG A 25 17.273 8.953 5.623 1.00 0.65 H new ATOM 0 HB2 ARG A 25 17.492 10.627 7.439 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.986 9.743 7.580 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.895 8.392 9.422 1.00 0.78 H new ATOM 0 HG3 ARG A 25 18.474 9.126 9.229 1.00 0.78 H new ATOM 0 HD2 ARG A 25 17.445 11.371 9.750 1.00 0.97 H new ATOM 0 HD3 ARG A 25 15.916 10.567 10.045 1.00 0.97 H new ATOM 0 HE ARG A 25 17.923 9.323 11.672 1.00 1.09 H new ATOM 0 HH11 ARG A 25 16.008 12.339 11.459 1.00 1.55 H new ATOM 0 HH12 ARG A 25 16.195 12.699 13.179 1.00 1.55 H new ATOM 0 HH21 ARG A 25 18.161 9.845 13.870 1.00 1.47 H new ATOM 0 HH22 ARG A 25 17.403 11.297 14.531 1.00 1.47 H new ATOM 393 N GLN A 26 19.717 7.363 6.561 1.00 0.73 N ATOM 394 CA GLN A 26 21.191 7.206 6.550 1.00 0.84 C ATOM 395 C GLN A 26 21.784 7.615 5.181 1.00 0.78 C ATOM 396 O GLN A 26 22.837 8.261 5.131 1.00 0.89 O ATOM 397 CB GLN A 26 21.582 5.749 6.899 1.00 1.01 C ATOM 398 CG GLN A 26 23.033 5.571 7.353 1.00 1.22 C ATOM 399 CD GLN A 26 23.390 4.114 7.644 1.00 1.49 C ATOM 400 OE1 GLN A 26 23.811 3.384 6.747 1.00 1.63 O ATOM 401 NE2 GLN A 26 23.234 3.681 8.898 1.00 1.80 N ATOM 0 H GLN A 26 19.203 6.483 6.523 1.00 0.73 H new ATOM 0 HA GLN A 26 21.608 7.869 7.308 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.921 5.388 7.687 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.409 5.121 6.025 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.700 5.956 6.581 1.00 1.22 H new ATOM 0 HG3 GLN A 26 23.204 6.168 8.249 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.882 4.314 9.616 1.00 1.80 H new ATOM 0 HE22 GLN A 26 23.466 2.717 9.137 1.00 1.80 H new ATOM 410 N GLU A 27 21.101 7.232 4.081 1.00 0.70 N ATOM 411 CA GLU A 27 21.536 7.563 2.708 1.00 0.76 C ATOM 412 C GLU A 27 20.781 8.814 2.193 1.00 0.93 C ATOM 413 O GLU A 27 20.081 9.473 2.971 1.00 1.59 O ATOM 414 CB GLU A 27 21.307 6.340 1.777 1.00 0.92 C ATOM 415 CG GLU A 27 22.144 5.105 2.126 1.00 1.09 C ATOM 416 CD GLU A 27 23.637 5.299 1.902 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.096 5.112 0.755 1.00 1.52 O ATOM 418 OE2 GLU A 27 24.345 5.637 2.876 1.00 1.46 O ATOM 0 H GLU A 27 20.239 6.689 4.119 1.00 0.70 H new ATOM 0 HA GLU A 27 22.601 7.796 2.711 1.00 0.76 H new ATOM 0 HB2 GLU A 27 20.252 6.068 1.809 1.00 0.92 H new ATOM 0 HB3 GLU A 27 21.529 6.635 0.751 1.00 0.92 H new ATOM 0 HG2 GLU A 27 21.973 4.843 3.170 1.00 1.09 H new ATOM 0 HG3 GLU A 27 21.801 4.262 1.526 1.00 1.09 H new ATOM 425 N GLY A 28 20.935 9.150 0.887 1.00 0.79 N ATOM 426 CA GLY A 28 20.264 10.318 0.293 1.00 0.92 C ATOM 427 C GLY A 28 18.748 10.348 0.517 1.00 0.73 C ATOM 428 O GLY A 28 18.116 9.291 0.598 1.00 0.72 O ATOM 0 H GLY A 28 21.517 8.626 0.233 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.700 11.226 0.710 1.00 0.92 H new ATOM 0 HA3 GLY A 28 20.463 10.332 -0.779 1.00 0.92 H new ATOM 432 N ARG A 29 18.171 11.573 0.620 1.00 0.72 N ATOM 433 CA ARG A 29 16.720 11.795 0.845 1.00 0.71 C ATOM 434 C ARG A 29 16.265 11.308 2.240 1.00 0.68 C ATOM 435 O ARG A 29 16.663 10.228 2.694 1.00 0.76 O ATOM 436 CB ARG A 29 15.844 11.151 -0.272 1.00 0.73 C ATOM 437 CG ARG A 29 15.594 12.046 -1.495 1.00 0.92 C ATOM 438 CD ARG A 29 16.856 12.277 -2.331 1.00 1.31 C ATOM 439 NE ARG A 29 16.597 13.107 -3.524 1.00 1.46 N ATOM 440 CZ ARG A 29 16.567 14.460 -3.551 1.00 1.91 C ATOM 441 NH1 ARG A 29 16.766 15.190 -2.445 1.00 2.60 N ATOM 442 NH2 ARG A 29 16.329 15.088 -4.707 1.00 2.05 N ATOM 0 H ARG A 29 18.704 12.440 0.549 1.00 0.72 H new ATOM 0 HA ARG A 29 16.571 12.874 0.803 1.00 0.71 H new ATOM 0 HB2 ARG A 29 16.325 10.231 -0.605 1.00 0.73 H new ATOM 0 HB3 ARG A 29 14.882 10.870 0.157 1.00 0.73 H new ATOM 0 HG2 ARG A 29 14.827 11.591 -2.122 1.00 0.92 H new ATOM 0 HG3 ARG A 29 15.204 13.008 -1.162 1.00 0.92 H new ATOM 0 HD2 ARG A 29 17.614 12.759 -1.714 1.00 1.31 H new ATOM 0 HD3 ARG A 29 17.263 11.315 -2.642 1.00 1.31 H new ATOM 0 HE ARG A 29 16.426 12.619 -4.403 1.00 1.46 H new ATOM 0 HH11 ARG A 29 16.946 14.727 -1.554 1.00 2.60 H new ATOM 0 HH12 ARG A 29 16.738 16.208 -2.494 1.00 2.60 H new ATOM 0 HH21 ARG A 29 16.172 14.548 -5.558 1.00 2.05 H new ATOM 0 HH22 ARG A 29 16.304 16.107 -4.738 1.00 2.05 H new ATOM 456 N LYS A 30 15.421 12.123 2.908 1.00 0.67 N ATOM 457 CA LYS A 30 14.891 11.810 4.257 1.00 0.67 C ATOM 458 C LYS A 30 13.759 10.769 4.198 1.00 0.66 C ATOM 459 O LYS A 30 13.647 9.929 5.097 1.00 0.72 O ATOM 460 CB LYS A 30 14.372 13.093 4.948 1.00 0.76 C ATOM 461 CG LYS A 30 15.467 14.076 5.381 1.00 0.82 C ATOM 462 CD LYS A 30 16.115 13.682 6.714 1.00 0.89 C ATOM 463 CE LYS A 30 17.419 14.437 6.980 1.00 1.00 C ATOM 464 NZ LYS A 30 18.522 14.009 6.065 1.00 1.22 N ATOM 0 H LYS A 30 15.088 13.011 2.533 1.00 0.67 H new ATOM 0 HA LYS A 30 15.714 11.390 4.835 1.00 0.67 H new ATOM 0 HB2 LYS A 30 13.691 13.605 4.268 1.00 0.76 H new ATOM 0 HB3 LYS A 30 13.792 12.807 5.825 1.00 0.76 H new ATOM 0 HG2 LYS A 30 16.234 14.124 4.608 1.00 0.82 H new ATOM 0 HG3 LYS A 30 15.040 15.075 5.469 1.00 0.82 H new ATOM 0 HD2 LYS A 30 15.414 13.877 7.526 1.00 0.89 H new ATOM 0 HD3 LYS A 30 16.313 12.610 6.715 1.00 0.89 H new ATOM 0 HE2 LYS A 30 17.247 15.507 6.862 1.00 1.00 H new ATOM 0 HE3 LYS A 30 17.725 14.276 8.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.424 14.405 6.399 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 18.582 12.971 6.056 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 18.328 14.353 5.103 1.00 1.22 H new ATOM 478 N ASP A 31 12.924 10.831 3.141 1.00 0.66 N ATOM 479 CA ASP A 31 11.792 9.905 2.968 1.00 0.71 C ATOM 480 C ASP A 31 12.092 8.904 1.838 1.00 0.64 C ATOM 481 O ASP A 31 11.319 8.774 0.879 1.00 0.89 O ATOM 482 CB ASP A 31 10.497 10.700 2.686 1.00 0.87 C ATOM 483 CG ASP A 31 10.249 11.816 3.695 1.00 1.03 C ATOM 484 OD1 ASP A 31 10.103 11.510 4.898 1.00 1.38 O ATOM 485 OD2 ASP A 31 10.195 12.991 3.277 1.00 1.43 O ATOM 0 H ASP A 31 13.015 11.517 2.392 1.00 0.66 H new ATOM 0 HA ASP A 31 11.647 9.338 3.888 1.00 0.71 H new ATOM 0 HB2 ASP A 31 10.551 11.129 1.685 1.00 0.87 H new ATOM 0 HB3 ASP A 31 9.649 10.016 2.694 1.00 0.87 H new ATOM 490 N SER A 32 13.233 8.198 1.962 1.00 0.65 N ATOM 491 CA SER A 32 13.670 7.214 0.961 1.00 0.58 C ATOM 492 C SER A 32 14.448 6.062 1.621 1.00 0.56 C ATOM 493 O SER A 32 15.248 6.293 2.530 1.00 0.63 O ATOM 494 CB SER A 32 14.553 7.899 -0.099 1.00 0.58 C ATOM 495 OG SER A 32 14.870 7.020 -1.166 1.00 1.09 O ATOM 0 H SER A 32 13.870 8.295 2.753 1.00 0.65 H new ATOM 0 HA SER A 32 12.783 6.799 0.482 1.00 0.58 H new ATOM 0 HB2 SER A 32 14.037 8.776 -0.491 1.00 0.58 H new ATOM 0 HB3 SER A 32 15.473 8.252 0.367 1.00 0.58 H new ATOM 0 HG SER A 32 15.141 7.542 -1.950 1.00 1.09 H new ATOM 501 N LEU A 33 14.205 4.828 1.151 1.00 0.54 N ATOM 502 CA LEU A 33 14.882 3.631 1.675 1.00 0.54 C ATOM 503 C LEU A 33 16.052 3.246 0.750 1.00 0.52 C ATOM 504 O LEU A 33 15.927 3.343 -0.470 1.00 0.66 O ATOM 505 CB LEU A 33 13.883 2.460 1.807 1.00 0.55 C ATOM 506 CG LEU A 33 12.793 2.626 2.904 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.573 3.391 2.377 1.00 0.76 C ATOM 508 CD2 LEU A 33 12.373 1.263 3.462 1.00 0.75 C ATOM 0 H LEU A 33 13.539 4.633 0.403 1.00 0.54 H new ATOM 0 HA LEU A 33 15.277 3.852 2.666 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.388 2.319 0.846 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.444 1.549 2.013 1.00 0.55 H new ATOM 0 HG LEU A 33 13.229 3.214 3.712 1.00 0.67 H new ATOM 0 HD11 LEU A 33 10.833 3.487 3.171 1.00 0.76 H new ATOM 0 HD12 LEU A 33 11.881 4.383 2.046 1.00 0.76 H new ATOM 0 HD13 LEU A 33 11.137 2.847 1.539 1.00 0.76 H new ATOM 0 HD21 LEU A 33 11.610 1.403 4.228 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.971 0.648 2.657 1.00 0.75 H new ATOM 0 HD23 LEU A 33 13.239 0.766 3.899 1.00 0.75 H new ATOM 520 N SER A 34 17.189 2.816 1.335 1.00 0.50 N ATOM 521 CA SER A 34 18.381 2.423 0.548 1.00 0.52 C ATOM 522 C SER A 34 18.238 0.997 -0.010 1.00 0.47 C ATOM 523 O SER A 34 17.554 0.163 0.584 1.00 0.47 O ATOM 524 CB SER A 34 19.649 2.523 1.408 1.00 0.62 C ATOM 525 OG SER A 34 20.815 2.220 0.657 1.00 0.68 O ATOM 0 H SER A 34 17.309 2.732 2.344 1.00 0.50 H new ATOM 0 HA SER A 34 18.464 3.112 -0.293 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.732 3.529 1.820 1.00 0.62 H new ATOM 0 HB3 SER A 34 19.571 1.838 2.253 1.00 0.62 H new ATOM 0 HG SER A 34 21.582 2.138 1.262 1.00 0.68 H new ATOM 531 N VAL A 35 18.911 0.728 -1.153 1.00 0.50 N ATOM 532 CA VAL A 35 18.866 -0.597 -1.810 1.00 0.49 C ATOM 533 C VAL A 35 19.439 -1.723 -0.907 1.00 0.45 C ATOM 534 O VAL A 35 18.972 -2.861 -0.979 1.00 0.46 O ATOM 535 CB VAL A 35 19.591 -0.569 -3.204 1.00 0.59 C ATOM 536 CG1 VAL A 35 21.121 -0.519 -3.076 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.150 -1.740 -4.093 1.00 0.64 C ATOM 0 H VAL A 35 19.491 1.412 -1.639 1.00 0.50 H new ATOM 0 HA VAL A 35 17.814 -0.827 -1.979 1.00 0.49 H new ATOM 0 HB VAL A 35 19.285 0.358 -3.689 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.569 -0.501 -4.070 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.411 0.379 -2.531 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.470 -1.399 -2.536 1.00 0.63 H new ATOM 0 HG21 VAL A 35 19.672 -1.688 -5.049 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.390 -2.682 -3.599 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.075 -1.683 -4.263 1.00 0.64 H new ATOM 547 N ASN A 36 20.442 -1.388 -0.062 1.00 0.45 N ATOM 548 CA ASN A 36 21.070 -2.363 0.852 1.00 0.46 C ATOM 549 C ASN A 36 20.354 -2.412 2.217 1.00 0.44 C ATOM 550 O ASN A 36 20.257 -3.486 2.818 1.00 0.55 O ATOM 551 CB ASN A 36 22.567 -2.033 1.045 1.00 0.55 C ATOM 552 CG ASN A 36 23.363 -3.191 1.645 1.00 0.64 C ATOM 553 OD1 ASN A 36 23.743 -4.119 0.933 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.630 -3.139 2.953 1.00 0.77 N ATOM 0 H ASN A 36 20.832 -0.448 0.003 1.00 0.45 H new ATOM 0 HA ASN A 36 20.977 -3.348 0.395 1.00 0.46 H new ATOM 0 HB2 ASN A 36 23.000 -1.762 0.082 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.660 -1.161 1.693 1.00 0.55 H new ATOM 0 HD21 ASN A 36 24.166 -3.886 3.394 1.00 0.77 H new ATOM 0 HD22 ASN A 36 23.297 -2.352 3.511 1.00 0.77 H new ATOM 561 N GLU A 37 19.850 -1.252 2.704 1.00 0.44 N ATOM 562 CA GLU A 37 19.154 -1.182 4.011 1.00 0.46 C ATOM 563 C GLU A 37 17.778 -1.873 3.973 1.00 0.41 C ATOM 564 O GLU A 37 17.417 -2.561 4.934 1.00 0.43 O ATOM 565 CB GLU A 37 19.009 0.273 4.499 1.00 0.55 C ATOM 566 CG GLU A 37 20.347 0.957 4.790 1.00 0.70 C ATOM 567 CD GLU A 37 20.195 2.353 5.369 1.00 0.83 C ATOM 568 OE1 GLU A 37 19.891 3.287 4.597 1.00 1.25 O ATOM 569 OE2 GLU A 37 20.386 2.510 6.593 1.00 1.54 O ATOM 0 H GLU A 37 19.912 -0.359 2.215 1.00 0.44 H new ATOM 0 HA GLU A 37 19.779 -1.722 4.722 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.472 0.849 3.745 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.400 0.285 5.403 1.00 0.55 H new ATOM 0 HG2 GLU A 37 20.917 0.342 5.487 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.926 1.015 3.868 1.00 0.70 H new ATOM 576 N PHE A 38 17.009 -1.691 2.872 1.00 0.40 N ATOM 577 CA PHE A 38 15.683 -2.338 2.731 1.00 0.39 C ATOM 578 C PHE A 38 15.842 -3.863 2.516 1.00 0.37 C ATOM 579 O PHE A 38 14.986 -4.638 2.941 1.00 0.40 O ATOM 580 CB PHE A 38 14.834 -1.666 1.606 1.00 0.43 C ATOM 581 CG PHE A 38 14.729 -2.424 0.285 1.00 0.41 C ATOM 582 CD1 PHE A 38 13.741 -3.389 0.092 1.00 0.50 C ATOM 583 CD2 PHE A 38 15.611 -2.173 -0.754 1.00 0.49 C ATOM 584 CE1 PHE A 38 13.645 -4.076 -1.103 1.00 0.61 C ATOM 585 CE2 PHE A 38 15.515 -2.859 -1.951 1.00 0.61 C ATOM 586 CZ PHE A 38 14.531 -3.811 -2.126 1.00 0.65 C ATOM 0 H PHE A 38 17.280 -1.110 2.079 1.00 0.40 H new ATOM 0 HA PHE A 38 15.132 -2.194 3.660 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.826 -1.507 1.989 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.256 -0.682 1.402 1.00 0.43 H new ATOM 0 HD1 PHE A 38 13.042 -3.602 0.887 1.00 0.50 H new ATOM 0 HD2 PHE A 38 16.385 -1.431 -0.627 1.00 0.49 H new ATOM 0 HE1 PHE A 38 12.875 -4.822 -1.236 1.00 0.61 H new ATOM 0 HE2 PHE A 38 16.211 -2.650 -2.750 1.00 0.61 H new ATOM 0 HZ PHE A 38 14.455 -4.346 -3.061 1.00 0.65 H new ATOM 596 N LYS A 39 16.944 -4.274 1.844 1.00 0.37 N ATOM 597 CA LYS A 39 17.246 -5.701 1.586 1.00 0.40 C ATOM 598 C LYS A 39 17.397 -6.490 2.909 1.00 0.38 C ATOM 599 O LYS A 39 17.023 -7.666 2.978 1.00 0.42 O ATOM 600 CB LYS A 39 18.529 -5.815 0.729 1.00 0.46 C ATOM 601 CG LYS A 39 18.914 -7.241 0.318 1.00 0.55 C ATOM 602 CD LYS A 39 20.110 -7.259 -0.638 1.00 0.64 C ATOM 603 CE LYS A 39 20.647 -8.674 -0.861 1.00 0.76 C ATOM 604 NZ LYS A 39 19.667 -9.560 -1.562 1.00 0.87 N ATOM 0 H LYS A 39 17.642 -3.632 1.469 1.00 0.37 H new ATOM 0 HA LYS A 39 16.412 -6.139 1.038 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.399 -5.217 -0.173 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.358 -5.378 1.285 1.00 0.46 H new ATOM 0 HG2 LYS A 39 19.153 -7.823 1.208 1.00 0.55 H new ATOM 0 HG3 LYS A 39 18.061 -7.724 -0.159 1.00 0.55 H new ATOM 0 HD2 LYS A 39 19.815 -6.829 -1.595 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.904 -6.629 -0.236 1.00 0.64 H new ATOM 0 HE2 LYS A 39 21.566 -8.622 -1.445 1.00 0.76 H new ATOM 0 HE3 LYS A 39 20.906 -9.116 0.101 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 20.082 -10.506 -1.687 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 18.799 -9.635 -0.994 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 19.438 -9.156 -2.493 1.00 0.87 H new ATOM 618 N GLU A 40 17.941 -5.824 3.952 1.00 0.38 N ATOM 619 CA GLU A 40 18.129 -6.435 5.283 1.00 0.40 C ATOM 620 C GLU A 40 16.818 -6.425 6.102 1.00 0.40 C ATOM 621 O GLU A 40 16.614 -7.309 6.940 1.00 0.44 O ATOM 622 CB GLU A 40 19.249 -5.708 6.057 1.00 0.45 C ATOM 623 CG GLU A 40 20.630 -5.839 5.418 1.00 0.49 C ATOM 624 CD GLU A 40 21.730 -5.175 6.237 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.879 -3.939 6.139 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.441 -5.894 6.971 1.00 0.73 O ATOM 0 H GLU A 40 18.259 -4.857 3.894 1.00 0.38 H new ATOM 0 HA GLU A 40 18.420 -7.474 5.132 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.995 -4.651 6.136 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.291 -6.103 7.072 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.867 -6.895 5.291 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.607 -5.395 4.423 1.00 0.49 H new ATOM 633 N LEU A 41 15.934 -5.428 5.853 1.00 0.39 N ATOM 634 CA LEU A 41 14.636 -5.318 6.561 1.00 0.41 C ATOM 635 C LEU A 41 13.667 -6.455 6.161 1.00 0.40 C ATOM 636 O LEU A 41 12.876 -6.909 6.993 1.00 0.44 O ATOM 637 CB LEU A 41 13.991 -3.937 6.286 1.00 0.44 C ATOM 638 CG LEU A 41 12.772 -3.545 7.163 1.00 0.55 C ATOM 639 CD1 LEU A 41 13.175 -3.360 8.630 1.00 0.65 C ATOM 640 CD2 LEU A 41 12.114 -2.274 6.619 1.00 0.58 C ATOM 0 H LEU A 41 16.097 -4.690 5.168 1.00 0.39 H new ATOM 0 HA LEU A 41 14.832 -5.414 7.629 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.758 -3.173 6.411 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.681 -3.909 5.242 1.00 0.44 H new ATOM 0 HG LEU A 41 12.050 -4.360 7.120 1.00 0.55 H new ATOM 0 HD11 LEU A 41 12.298 -3.086 9.216 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.591 -4.292 9.013 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.923 -2.571 8.705 1.00 0.65 H new ATOM 0 HD21 LEU A 41 11.260 -2.010 7.243 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.836 -1.458 6.628 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.776 -2.448 5.597 1.00 0.58 H new ATOM 652 N VAL A 42 13.733 -6.905 4.886 1.00 0.36 N ATOM 653 CA VAL A 42 12.877 -8.004 4.382 1.00 0.37 C ATOM 654 C VAL A 42 13.424 -9.389 4.829 1.00 0.38 C ATOM 655 O VAL A 42 12.676 -10.369 4.849 1.00 0.41 O ATOM 656 CB VAL A 42 12.720 -7.960 2.817 1.00 0.40 C ATOM 657 CG1 VAL A 42 11.740 -9.030 2.302 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.266 -6.571 2.346 1.00 0.41 C ATOM 0 H VAL A 42 14.371 -6.523 4.187 1.00 0.36 H new ATOM 0 HA VAL A 42 11.889 -7.860 4.819 1.00 0.37 H new ATOM 0 HB VAL A 42 13.704 -8.175 2.399 1.00 0.40 H new ATOM 0 HG11 VAL A 42 11.664 -8.961 1.217 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.104 -10.020 2.578 1.00 0.45 H new ATOM 0 HG13 VAL A 42 10.758 -8.867 2.746 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.166 -6.570 1.261 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.305 -6.329 2.800 1.00 0.41 H new ATOM 0 HG23 VAL A 42 13.005 -5.827 2.643 1.00 0.41 H new ATOM 668 N THR A 43 14.722 -9.455 5.196 1.00 0.39 N ATOM 669 CA THR A 43 15.366 -10.708 5.634 1.00 0.42 C ATOM 670 C THR A 43 15.291 -10.912 7.167 1.00 0.49 C ATOM 671 O THR A 43 15.270 -12.061 7.625 1.00 0.80 O ATOM 672 CB THR A 43 16.857 -10.742 5.178 1.00 0.45 C ATOM 673 OG1 THR A 43 16.959 -10.392 3.786 1.00 0.46 O ATOM 674 CG2 THR A 43 17.509 -12.114 5.398 1.00 0.50 C ATOM 0 H THR A 43 15.346 -8.648 5.197 1.00 0.39 H new ATOM 0 HA THR A 43 14.814 -11.523 5.165 1.00 0.42 H new ATOM 0 HB THR A 43 17.389 -10.015 5.792 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.982 -9.417 3.695 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.546 -12.082 5.064 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.477 -12.366 6.458 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.968 -12.870 4.829 1.00 0.50 H new ATOM 682 N GLN A 44 15.243 -9.812 7.956 1.00 0.41 N ATOM 683 CA GLN A 44 15.215 -9.906 9.431 1.00 0.44 C ATOM 684 C GLN A 44 13.826 -9.615 10.040 1.00 0.44 C ATOM 685 O GLN A 44 13.314 -10.446 10.802 1.00 0.50 O ATOM 686 CB GLN A 44 16.280 -8.966 10.033 1.00 0.48 C ATOM 687 CG GLN A 44 16.570 -9.212 11.515 1.00 0.65 C ATOM 688 CD GLN A 44 17.786 -8.443 12.017 1.00 0.77 C ATOM 689 OE1 GLN A 44 18.907 -8.951 11.981 1.00 1.02 O ATOM 690 NE2 GLN A 44 17.576 -7.211 12.490 1.00 1.10 N ATOM 0 H GLN A 44 15.223 -8.857 7.597 1.00 0.41 H new ATOM 0 HA GLN A 44 15.443 -10.941 9.687 1.00 0.44 H new ATOM 0 HB2 GLN A 44 17.207 -9.078 9.470 1.00 0.48 H new ATOM 0 HB3 GLN A 44 15.952 -7.935 9.905 1.00 0.48 H new ATOM 0 HG2 GLN A 44 15.698 -8.926 12.103 1.00 0.65 H new ATOM 0 HG3 GLN A 44 16.728 -10.278 11.677 1.00 0.65 H new ATOM 0 HE21 GLN A 44 16.632 -6.824 12.504 1.00 1.10 H new ATOM 0 HE22 GLN A 44 18.359 -6.658 12.837 1.00 1.10 H new ATOM 699 N GLN A 45 13.213 -8.458 9.712 1.00 0.41 N ATOM 700 CA GLN A 45 11.896 -8.076 10.281 1.00 0.43 C ATOM 701 C GLN A 45 10.693 -8.468 9.384 1.00 0.41 C ATOM 702 O GLN A 45 9.551 -8.432 9.856 1.00 0.45 O ATOM 703 CB GLN A 45 11.880 -6.561 10.583 1.00 0.47 C ATOM 704 CG GLN A 45 10.709 -6.093 11.457 1.00 0.59 C ATOM 705 CD GLN A 45 10.946 -4.735 12.116 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.676 -3.892 11.589 1.00 0.65 O ATOM 707 NE2 GLN A 45 10.325 -4.509 13.276 1.00 0.84 N ATOM 0 H GLN A 45 13.602 -7.775 9.062 1.00 0.41 H new ATOM 0 HA GLN A 45 11.774 -8.643 11.204 1.00 0.43 H new ATOM 0 HB2 GLN A 45 12.814 -6.293 11.077 1.00 0.47 H new ATOM 0 HB3 GLN A 45 11.851 -6.017 9.639 1.00 0.47 H new ATOM 0 HG2 GLN A 45 9.808 -6.039 10.846 1.00 0.59 H new ATOM 0 HG3 GLN A 45 10.524 -6.837 12.232 1.00 0.59 H new ATOM 0 HE21 GLN A 45 9.728 -5.229 13.684 1.00 0.84 H new ATOM 0 HE22 GLN A 45 10.447 -3.617 13.755 1.00 0.84 H new ATOM 716 N LEU A 46 10.938 -8.859 8.112 1.00 0.40 N ATOM 717 CA LEU A 46 9.851 -9.247 7.182 1.00 0.40 C ATOM 718 C LEU A 46 10.149 -10.601 6.454 1.00 0.40 C ATOM 719 O LEU A 46 9.870 -10.720 5.252 1.00 0.42 O ATOM 720 CB LEU A 46 9.632 -8.089 6.158 1.00 0.41 C ATOM 721 CG LEU A 46 8.206 -7.500 6.063 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.816 -6.750 7.343 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.093 -6.579 4.845 1.00 0.67 C ATOM 0 H LEU A 46 11.873 -8.914 7.708 1.00 0.40 H new ATOM 0 HA LEU A 46 8.939 -9.409 7.756 1.00 0.40 H new ATOM 0 HB2 LEU A 46 10.317 -7.280 6.410 1.00 0.41 H new ATOM 0 HB3 LEU A 46 9.916 -8.452 5.170 1.00 0.41 H new ATOM 0 HG LEU A 46 7.510 -8.331 5.945 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.807 -6.351 7.238 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.848 -7.435 8.190 1.00 0.59 H new ATOM 0 HD13 LEU A 46 8.515 -5.931 7.512 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.084 -6.171 4.790 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.810 -5.763 4.938 1.00 0.67 H new ATOM 0 HD23 LEU A 46 8.305 -7.146 3.939 1.00 0.67 H new ATOM 735 N PRO A 47 10.678 -11.668 7.153 1.00 0.42 N ATOM 736 CA PRO A 47 10.991 -12.958 6.499 1.00 0.45 C ATOM 737 C PRO A 47 9.760 -13.864 6.255 1.00 0.47 C ATOM 738 O PRO A 47 9.677 -14.516 5.209 1.00 0.52 O ATOM 739 CB PRO A 47 11.967 -13.612 7.485 1.00 0.49 C ATOM 740 CG PRO A 47 11.550 -13.106 8.825 1.00 0.49 C ATOM 741 CD PRO A 47 11.009 -11.715 8.608 1.00 0.46 C ATOM 0 HA PRO A 47 11.392 -12.807 5.497 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.909 -14.699 7.437 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.998 -13.338 7.262 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.791 -13.753 9.265 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.395 -13.091 9.514 1.00 0.49 H new ATOM 0 HD2 PRO A 47 10.127 -11.531 9.222 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.746 -10.956 8.873 1.00 0.46 H new ATOM 749 N HIS A 48 8.812 -13.895 7.217 1.00 0.47 N ATOM 750 CA HIS A 48 7.603 -14.737 7.113 1.00 0.52 C ATOM 751 C HIS A 48 6.509 -14.098 6.235 1.00 0.50 C ATOM 752 O HIS A 48 5.584 -14.800 5.811 1.00 0.57 O ATOM 753 CB HIS A 48 7.049 -15.062 8.516 1.00 0.57 C ATOM 754 CG HIS A 48 8.014 -15.820 9.390 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.658 -15.252 10.470 1.00 0.69 N ATOM 756 CD2 HIS A 48 8.447 -17.104 9.330 1.00 0.79 C ATOM 757 CE1 HIS A 48 9.441 -16.153 11.037 1.00 0.80 C ATOM 758 NE2 HIS A 48 9.332 -17.283 10.365 1.00 0.85 N ATOM 0 H HIS A 48 8.862 -13.345 8.075 1.00 0.47 H new ATOM 0 HA HIS A 48 7.902 -15.663 6.622 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.777 -14.131 9.014 1.00 0.57 H new ATOM 0 HB3 HIS A 48 6.135 -15.646 8.409 1.00 0.57 H new ATOM 0 HD2 HIS A 48 8.151 -17.847 8.604 1.00 0.79 H new ATOM 0 HE1 HIS A 48 10.065 -15.992 11.904 1.00 0.80 H new ATOM 0 HE2 HIS A 48 9.825 -18.150 10.579 1.00 0.85 H new ATOM 767 N LEU A 49 6.610 -12.774 5.957 1.00 0.46 N ATOM 768 CA LEU A 49 5.629 -12.069 5.108 1.00 0.46 C ATOM 769 C LEU A 49 5.915 -12.358 3.624 1.00 0.45 C ATOM 770 O LEU A 49 5.111 -13.022 2.961 1.00 0.53 O ATOM 771 CB LEU A 49 5.642 -10.551 5.403 1.00 0.47 C ATOM 772 CG LEU A 49 4.615 -9.693 4.629 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.197 -9.999 5.091 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.927 -8.210 4.786 1.00 0.53 C ATOM 0 H LEU A 49 7.360 -12.179 6.309 1.00 0.46 H new ATOM 0 HA LEU A 49 4.629 -12.437 5.339 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.471 -10.409 6.470 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.640 -10.169 5.186 1.00 0.47 H new ATOM 0 HG LEU A 49 4.688 -9.946 3.571 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.492 -9.384 4.533 1.00 0.87 H new ATOM 0 HD12 LEU A 49 2.977 -11.052 4.917 1.00 0.87 H new ATOM 0 HD13 LEU A 49 3.106 -9.781 6.155 1.00 0.87 H new ATOM 0 HD21 LEU A 49 4.193 -7.623 4.234 1.00 0.53 H new ATOM 0 HD22 LEU A 49 4.888 -7.940 5.841 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.924 -8.005 4.395 1.00 0.53 H new ATOM 786 N LEU A 50 7.061 -11.861 3.106 1.00 0.43 N ATOM 787 CA LEU A 50 7.461 -12.116 1.717 1.00 0.45 C ATOM 788 C LEU A 50 8.319 -13.386 1.691 1.00 0.48 C ATOM 789 O LEU A 50 9.471 -13.367 2.135 1.00 0.54 O ATOM 790 CB LEU A 50 8.240 -10.925 1.111 1.00 0.48 C ATOM 791 CG LEU A 50 7.503 -9.560 1.077 1.00 0.57 C ATOM 792 CD1 LEU A 50 8.412 -8.465 0.520 1.00 0.66 C ATOM 793 CD2 LEU A 50 6.204 -9.641 0.263 1.00 0.73 C ATOM 0 H LEU A 50 7.718 -11.284 3.632 1.00 0.43 H new ATOM 0 HA LEU A 50 6.566 -12.246 1.109 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.164 -10.800 1.675 1.00 0.48 H new ATOM 0 HB3 LEU A 50 8.522 -11.186 0.091 1.00 0.48 H new ATOM 0 HG LEU A 50 7.240 -9.306 2.104 1.00 0.57 H new ATOM 0 HD11 LEU A 50 7.874 -7.517 0.506 1.00 0.66 H new ATOM 0 HD12 LEU A 50 9.296 -8.371 1.150 1.00 0.66 H new ATOM 0 HD13 LEU A 50 8.716 -8.725 -0.494 1.00 0.66 H new ATOM 0 HD21 LEU A 50 5.715 -8.667 0.261 1.00 0.73 H new ATOM 0 HD22 LEU A 50 6.434 -9.934 -0.761 1.00 0.73 H new ATOM 0 HD23 LEU A 50 5.540 -10.380 0.711 1.00 0.73 H new ATOM 805 N LYS A 51 7.740 -14.496 1.188 1.00 0.55 N ATOM 806 CA LYS A 51 8.438 -15.802 1.121 1.00 0.66 C ATOM 807 C LYS A 51 9.742 -15.753 0.285 1.00 0.63 C ATOM 808 O LYS A 51 10.626 -16.596 0.477 1.00 0.76 O ATOM 809 CB LYS A 51 7.475 -16.921 0.626 1.00 0.78 C ATOM 810 CG LYS A 51 7.235 -17.012 -0.890 1.00 0.78 C ATOM 811 CD LYS A 51 6.477 -15.809 -1.451 1.00 1.18 C ATOM 812 CE LYS A 51 6.116 -15.993 -2.928 1.00 1.16 C ATOM 813 NZ LYS A 51 4.992 -16.956 -3.132 1.00 1.32 N ATOM 0 H LYS A 51 6.789 -14.516 0.821 1.00 0.55 H new ATOM 0 HA LYS A 51 8.748 -16.045 2.137 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.866 -17.880 0.966 1.00 0.78 H new ATOM 0 HB3 LYS A 51 6.511 -16.779 1.114 1.00 0.78 H new ATOM 0 HG2 LYS A 51 8.195 -17.099 -1.399 1.00 0.78 H new ATOM 0 HG3 LYS A 51 6.675 -17.921 -1.109 1.00 0.78 H new ATOM 0 HD2 LYS A 51 5.566 -15.653 -0.872 1.00 1.18 H new ATOM 0 HD3 LYS A 51 7.085 -14.912 -1.336 1.00 1.18 H new ATOM 0 HE2 LYS A 51 5.843 -15.027 -3.354 1.00 1.16 H new ATOM 0 HE3 LYS A 51 6.993 -16.345 -3.471 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 4.911 -17.186 -4.143 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 5.178 -17.826 -2.593 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 4.104 -16.528 -2.802 1.00 1.32 H new ATOM 827 N ASP A 52 9.864 -14.768 -0.637 1.00 0.64 N ATOM 828 CA ASP A 52 11.075 -14.609 -1.468 1.00 0.71 C ATOM 829 C ASP A 52 12.164 -13.837 -0.686 1.00 0.59 C ATOM 830 O ASP A 52 12.460 -12.674 -0.987 1.00 0.73 O ATOM 831 CB ASP A 52 10.741 -13.894 -2.799 1.00 0.99 C ATOM 832 CG ASP A 52 9.730 -14.652 -3.647 1.00 1.46 C ATOM 833 OD1 ASP A 52 10.100 -15.696 -4.227 1.00 2.02 O ATOM 834 OD2 ASP A 52 8.565 -14.205 -3.726 1.00 2.08 O ATOM 0 H ASP A 52 9.139 -14.075 -0.821 1.00 0.64 H new ATOM 0 HA ASP A 52 11.460 -15.600 -1.709 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.351 -12.899 -2.582 1.00 0.99 H new ATOM 0 HB3 ASP A 52 11.658 -13.759 -3.372 1.00 0.99 H new ATOM 839 N VAL A 53 12.746 -14.501 0.340 1.00 0.51 N ATOM 840 CA VAL A 53 13.807 -13.897 1.184 1.00 0.52 C ATOM 841 C VAL A 53 15.202 -13.991 0.521 1.00 0.56 C ATOM 842 O VAL A 53 16.015 -13.071 0.659 1.00 0.71 O ATOM 843 CB VAL A 53 13.867 -14.522 2.628 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.598 -14.199 3.422 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.112 -16.041 2.606 1.00 0.64 C ATOM 0 H VAL A 53 12.500 -15.455 0.604 1.00 0.51 H new ATOM 0 HA VAL A 53 13.534 -12.846 1.281 1.00 0.52 H new ATOM 0 HB VAL A 53 14.721 -14.064 3.127 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.667 -14.643 4.415 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.492 -13.118 3.514 1.00 0.65 H new ATOM 0 HG13 VAL A 53 11.730 -14.606 2.902 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.144 -16.419 3.628 1.00 0.64 H new ATOM 0 HG22 VAL A 53 13.305 -16.532 2.063 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.061 -16.249 2.112 1.00 0.64 H new ATOM 855 N GLY A 54 15.469 -15.109 -0.188 1.00 0.53 N ATOM 856 CA GLY A 54 16.753 -15.310 -0.862 1.00 0.64 C ATOM 857 C GLY A 54 16.814 -14.637 -2.226 1.00 0.61 C ATOM 858 O GLY A 54 17.726 -13.843 -2.482 1.00 0.83 O ATOM 0 H GLY A 54 14.810 -15.879 -0.303 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.553 -14.920 -0.233 1.00 0.64 H new ATOM 0 HA3 GLY A 54 16.933 -16.379 -0.981 1.00 0.64 H new ATOM 862 N SER A 55 15.841 -14.951 -3.108 1.00 0.57 N ATOM 863 CA SER A 55 15.785 -14.353 -4.453 1.00 0.58 C ATOM 864 C SER A 55 15.138 -12.964 -4.376 1.00 0.51 C ATOM 865 O SER A 55 13.943 -12.804 -4.656 1.00 0.62 O ATOM 866 CB SER A 55 15.029 -15.261 -5.439 1.00 0.74 C ATOM 867 OG SER A 55 14.976 -14.679 -6.732 1.00 0.85 O ATOM 0 H SER A 55 15.089 -15.612 -2.912 1.00 0.57 H new ATOM 0 HA SER A 55 16.803 -14.248 -4.828 1.00 0.58 H new ATOM 0 HB2 SER A 55 15.521 -16.232 -5.494 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.017 -15.436 -5.074 1.00 0.74 H new ATOM 0 HG SER A 55 15.657 -13.978 -6.803 1.00 0.85 H new ATOM 873 N LEU A 56 15.942 -11.968 -3.967 1.00 0.49 N ATOM 874 CA LEU A 56 15.484 -10.581 -3.835 1.00 0.53 C ATOM 875 C LEU A 56 16.041 -9.744 -5.006 1.00 0.58 C ATOM 876 O LEU A 56 16.914 -8.886 -4.825 1.00 1.03 O ATOM 877 CB LEU A 56 15.904 -10.033 -2.437 1.00 0.67 C ATOM 878 CG LEU A 56 15.157 -8.787 -1.879 1.00 0.83 C ATOM 879 CD1 LEU A 56 15.612 -7.498 -2.562 1.00 1.22 C ATOM 880 CD2 LEU A 56 13.631 -8.940 -1.964 1.00 1.21 C ATOM 0 H LEU A 56 16.922 -12.104 -3.720 1.00 0.49 H new ATOM 0 HA LEU A 56 14.397 -10.521 -3.890 1.00 0.53 H new ATOM 0 HB2 LEU A 56 15.789 -10.841 -1.715 1.00 0.67 H new ATOM 0 HB3 LEU A 56 16.966 -9.793 -2.479 1.00 0.67 H new ATOM 0 HG LEU A 56 15.421 -8.717 -0.824 1.00 0.83 H new ATOM 0 HD11 LEU A 56 15.066 -6.652 -2.144 1.00 1.22 H new ATOM 0 HD12 LEU A 56 16.680 -7.357 -2.398 1.00 1.22 H new ATOM 0 HD13 LEU A 56 15.414 -7.564 -3.632 1.00 1.22 H new ATOM 0 HD21 LEU A 56 13.153 -8.046 -1.563 1.00 1.21 H new ATOM 0 HD22 LEU A 56 13.336 -9.073 -3.005 1.00 1.21 H new ATOM 0 HD23 LEU A 56 13.320 -9.809 -1.384 1.00 1.21 H new ATOM 892 N ASP A 57 15.548 -10.055 -6.223 1.00 0.49 N ATOM 893 CA ASP A 57 15.945 -9.354 -7.463 1.00 0.53 C ATOM 894 C ASP A 57 14.711 -8.906 -8.278 1.00 0.47 C ATOM 895 O ASP A 57 14.694 -7.783 -8.787 1.00 0.50 O ATOM 896 CB ASP A 57 16.889 -10.229 -8.323 1.00 0.67 C ATOM 897 CG ASP A 57 16.291 -11.570 -8.739 1.00 0.70 C ATOM 898 OD1 ASP A 57 16.291 -12.502 -7.909 1.00 0.77 O ATOM 899 OD2 ASP A 57 15.825 -11.678 -9.893 1.00 0.77 O ATOM 0 H ASP A 57 14.865 -10.797 -6.374 1.00 0.49 H new ATOM 0 HA ASP A 57 16.492 -8.458 -7.171 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.166 -9.673 -9.219 1.00 0.67 H new ATOM 0 HB3 ASP A 57 17.807 -10.411 -7.765 1.00 0.67 H new ATOM 904 N GLU A 58 13.674 -9.782 -8.391 1.00 0.46 N ATOM 905 CA GLU A 58 12.435 -9.451 -9.138 1.00 0.51 C ATOM 906 C GLU A 58 11.695 -8.270 -8.482 1.00 0.47 C ATOM 907 O GLU A 58 11.115 -7.439 -9.184 1.00 0.56 O ATOM 908 CB GLU A 58 11.498 -10.680 -9.256 1.00 0.60 C ATOM 909 CG GLU A 58 10.410 -10.534 -10.325 1.00 0.79 C ATOM 910 CD GLU A 58 9.606 -11.805 -10.530 1.00 0.92 C ATOM 911 OE1 GLU A 58 8.596 -11.993 -9.817 1.00 1.02 O ATOM 912 OE2 GLU A 58 9.982 -12.611 -11.407 1.00 1.09 O ATOM 0 H GLU A 58 13.674 -10.714 -7.977 1.00 0.46 H new ATOM 0 HA GLU A 58 12.730 -9.157 -10.145 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.098 -11.561 -9.481 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.023 -10.856 -8.291 1.00 0.60 H new ATOM 0 HG2 GLU A 58 9.736 -9.726 -10.041 1.00 0.79 H new ATOM 0 HG3 GLU A 58 10.872 -10.247 -11.269 1.00 0.79 H new ATOM 919 N LYS A 59 11.725 -8.207 -7.133 1.00 0.42 N ATOM 920 CA LYS A 59 11.094 -7.114 -6.379 1.00 0.47 C ATOM 921 C LYS A 59 12.151 -6.078 -5.906 1.00 0.53 C ATOM 922 O LYS A 59 11.978 -5.442 -4.863 1.00 0.91 O ATOM 923 CB LYS A 59 10.296 -7.678 -5.179 1.00 0.52 C ATOM 924 CG LYS A 59 8.923 -8.258 -5.547 1.00 0.60 C ATOM 925 CD LYS A 59 9.006 -9.706 -6.045 1.00 0.81 C ATOM 926 CE LYS A 59 7.626 -10.364 -6.102 1.00 1.17 C ATOM 927 NZ LYS A 59 7.677 -11.760 -6.631 1.00 1.55 N ATOM 0 H LYS A 59 12.182 -8.905 -6.547 1.00 0.42 H new ATOM 0 HA LYS A 59 10.400 -6.598 -7.042 1.00 0.47 H new ATOM 0 HB2 LYS A 59 10.888 -8.456 -4.698 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.157 -6.884 -4.445 1.00 0.52 H new ATOM 0 HG2 LYS A 59 8.270 -8.215 -4.676 1.00 0.60 H new ATOM 0 HG3 LYS A 59 8.466 -7.638 -6.319 1.00 0.60 H new ATOM 0 HD2 LYS A 59 9.459 -9.725 -7.036 1.00 0.81 H new ATOM 0 HD3 LYS A 59 9.657 -10.281 -5.386 1.00 0.81 H new ATOM 0 HE2 LYS A 59 7.191 -10.374 -5.103 1.00 1.17 H new ATOM 0 HE3 LYS A 59 6.968 -9.765 -6.731 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 6.735 -12.195 -6.554 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 7.970 -11.743 -7.629 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 8.361 -12.316 -6.079 1.00 1.55 H new ATOM 941 N MET A 60 13.246 -5.915 -6.687 1.00 0.39 N ATOM 942 CA MET A 60 14.316 -4.942 -6.381 1.00 0.41 C ATOM 943 C MET A 60 14.453 -3.945 -7.549 1.00 0.42 C ATOM 944 O MET A 60 14.507 -2.736 -7.326 1.00 0.46 O ATOM 945 CB MET A 60 15.658 -5.661 -6.112 1.00 0.45 C ATOM 946 CG MET A 60 16.675 -4.820 -5.328 1.00 0.53 C ATOM 947 SD MET A 60 18.244 -5.673 -5.034 1.00 0.66 S ATOM 948 CE MET A 60 19.162 -5.271 -6.522 1.00 0.84 C ATOM 0 H MET A 60 13.409 -6.451 -7.539 1.00 0.39 H new ATOM 0 HA MET A 60 14.049 -4.396 -5.476 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.461 -6.580 -5.560 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.100 -5.950 -7.065 1.00 0.45 H new ATOM 0 HG2 MET A 60 16.869 -3.897 -5.874 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.239 -4.538 -4.370 1.00 0.53 H new ATOM 0 HE1 MET A 60 20.149 -5.732 -6.476 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.626 -5.647 -7.393 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.270 -4.189 -6.602 1.00 0.84 H new ATOM 958 N LYS A 61 14.515 -4.475 -8.797 1.00 0.44 N ATOM 959 CA LYS A 61 14.606 -3.645 -10.017 1.00 0.49 C ATOM 960 C LYS A 61 13.234 -3.034 -10.367 1.00 0.46 C ATOM 961 O LYS A 61 13.173 -1.920 -10.897 1.00 0.49 O ATOM 962 CB LYS A 61 15.137 -4.469 -11.215 1.00 0.59 C ATOM 963 CG LYS A 61 16.589 -4.957 -11.079 1.00 0.70 C ATOM 964 CD LYS A 61 17.628 -3.817 -11.065 1.00 1.11 C ATOM 965 CE LYS A 61 17.718 -3.054 -12.396 1.00 1.90 C ATOM 966 NZ LYS A 61 18.168 -3.920 -13.528 1.00 2.56 N ATOM 0 H LYS A 61 14.503 -5.478 -8.981 1.00 0.44 H new ATOM 0 HA LYS A 61 15.310 -2.838 -9.814 1.00 0.49 H new ATOM 0 HB2 LYS A 61 14.491 -5.335 -11.355 1.00 0.59 H new ATOM 0 HB3 LYS A 61 15.057 -3.862 -12.117 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.684 -5.535 -10.160 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.815 -5.632 -11.904 1.00 0.70 H new ATOM 0 HD2 LYS A 61 17.376 -3.116 -10.270 1.00 1.11 H new ATOM 0 HD3 LYS A 61 18.607 -4.231 -10.826 1.00 1.11 H new ATOM 0 HE2 LYS A 61 16.742 -2.630 -12.634 1.00 1.90 H new ATOM 0 HE3 LYS A 61 18.410 -2.219 -12.285 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 18.326 -3.334 -14.372 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 19.054 -4.398 -13.268 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 17.438 -4.632 -13.732 1.00 2.56 H new ATOM 980 N SER A 62 12.134 -3.774 -10.068 1.00 0.44 N ATOM 981 CA SER A 62 10.757 -3.292 -10.322 1.00 0.46 C ATOM 982 C SER A 62 10.447 -2.033 -9.486 1.00 0.43 C ATOM 983 O SER A 62 9.640 -1.198 -9.902 1.00 0.47 O ATOM 984 CB SER A 62 9.720 -4.395 -10.026 1.00 0.53 C ATOM 985 OG SER A 62 9.860 -5.488 -10.921 1.00 0.61 O ATOM 0 H SER A 62 12.178 -4.704 -9.652 1.00 0.44 H new ATOM 0 HA SER A 62 10.691 -3.030 -11.378 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.840 -4.744 -9.000 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.714 -3.983 -10.107 1.00 0.53 H new ATOM 0 HG SER A 62 10.298 -6.234 -10.460 1.00 0.61 H new ATOM 991 N LEU A 63 11.097 -1.905 -8.301 1.00 0.40 N ATOM 992 CA LEU A 63 10.916 -0.736 -7.422 1.00 0.43 C ATOM 993 C LEU A 63 11.736 0.448 -7.967 1.00 0.45 C ATOM 994 O LEU A 63 11.176 1.505 -8.268 1.00 0.53 O ATOM 995 CB LEU A 63 11.335 -1.022 -5.945 1.00 0.45 C ATOM 996 CG LEU A 63 11.154 -2.461 -5.394 1.00 0.42 C ATOM 997 CD1 LEU A 63 11.602 -2.525 -3.931 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.710 -2.954 -5.540 1.00 0.68 C ATOM 0 H LEU A 63 11.749 -2.600 -7.938 1.00 0.40 H new ATOM 0 HA LEU A 63 9.853 -0.497 -7.417 1.00 0.43 H new ATOM 0 HB2 LEU A 63 12.387 -0.756 -5.840 1.00 0.45 H new ATOM 0 HB3 LEU A 63 10.770 -0.347 -5.303 1.00 0.45 H new ATOM 0 HG LEU A 63 11.781 -3.125 -5.989 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.471 -3.539 -3.554 1.00 0.48 H new ATOM 0 HD12 LEU A 63 12.653 -2.245 -3.860 1.00 0.48 H new ATOM 0 HD13 LEU A 63 11.002 -1.837 -3.336 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.629 -3.965 -5.142 1.00 0.68 H new ATOM 0 HD22 LEU A 63 9.042 -2.292 -4.989 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.431 -2.956 -6.594 1.00 0.68 H new ATOM 1010 N ASP A 64 13.068 0.243 -8.111 1.00 0.45 N ATOM 1011 CA ASP A 64 13.984 1.280 -8.614 1.00 0.51 C ATOM 1012 C ASP A 64 14.076 1.221 -10.150 1.00 0.50 C ATOM 1013 O ASP A 64 15.055 0.712 -10.716 1.00 0.54 O ATOM 1014 CB ASP A 64 15.372 1.121 -7.955 1.00 0.60 C ATOM 1015 CG ASP A 64 16.288 2.319 -8.174 1.00 0.83 C ATOM 1016 OD1 ASP A 64 15.989 3.403 -7.627 1.00 1.39 O ATOM 1017 OD2 ASP A 64 17.303 2.169 -8.885 1.00 1.28 O ATOM 0 H ASP A 64 13.528 -0.638 -7.883 1.00 0.45 H new ATOM 0 HA ASP A 64 13.594 2.262 -8.348 1.00 0.51 H new ATOM 0 HB2 ASP A 64 15.242 0.964 -6.884 1.00 0.60 H new ATOM 0 HB3 ASP A 64 15.854 0.227 -8.352 1.00 0.60 H new ATOM 1022 N VAL A 65 13.029 1.743 -10.814 1.00 0.51 N ATOM 1023 CA VAL A 65 12.948 1.776 -12.288 1.00 0.55 C ATOM 1024 C VAL A 65 13.446 3.132 -12.871 1.00 0.55 C ATOM 1025 O VAL A 65 13.633 3.247 -14.087 1.00 0.60 O ATOM 1026 CB VAL A 65 11.487 1.453 -12.766 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.496 2.578 -12.433 1.00 0.67 C ATOM 1028 CG2 VAL A 65 11.442 1.110 -14.259 1.00 0.73 C ATOM 0 H VAL A 65 12.219 2.152 -10.348 1.00 0.51 H new ATOM 0 HA VAL A 65 13.615 1.004 -12.672 1.00 0.55 H new ATOM 0 HB VAL A 65 11.172 0.572 -12.207 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.502 2.303 -12.785 1.00 0.67 H new ATOM 0 HG12 VAL A 65 10.469 2.732 -11.354 1.00 0.67 H new ATOM 0 HG13 VAL A 65 10.813 3.499 -12.923 1.00 0.67 H new ATOM 0 HG21 VAL A 65 10.415 0.893 -14.552 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.813 1.956 -14.838 1.00 0.73 H new ATOM 0 HG23 VAL A 65 12.066 0.237 -14.451 1.00 0.73 H new ATOM 1038 N ASN A 66 13.671 4.137 -11.995 1.00 0.56 N ATOM 1039 CA ASN A 66 14.146 5.479 -12.400 1.00 0.60 C ATOM 1040 C ASN A 66 15.695 5.552 -12.450 1.00 0.59 C ATOM 1041 O ASN A 66 16.246 6.457 -13.088 1.00 0.66 O ATOM 1042 CB ASN A 66 13.578 6.535 -11.422 1.00 0.67 C ATOM 1043 CG ASN A 66 13.779 7.979 -11.883 1.00 0.94 C ATOM 1044 OD1 ASN A 66 12.979 8.507 -12.655 1.00 1.29 O ATOM 1045 ND2 ASN A 66 14.838 8.632 -11.399 1.00 1.44 N ATOM 0 H ASN A 66 13.529 4.041 -10.990 1.00 0.56 H new ATOM 0 HA ASN A 66 13.788 5.684 -13.409 1.00 0.60 H new ATOM 0 HB2 ASN A 66 12.512 6.353 -11.285 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.051 6.406 -10.449 1.00 0.67 H new ATOM 0 HD21 ASN A 66 15.005 9.602 -11.667 1.00 1.44 H new ATOM 0 HD22 ASN A 66 15.480 8.161 -10.761 1.00 1.44 H new ATOM 1052 N GLN A 67 16.392 4.599 -11.768 1.00 0.55 N ATOM 1053 CA GLN A 67 17.870 4.535 -11.721 1.00 0.60 C ATOM 1054 C GLN A 67 18.475 5.775 -11.029 1.00 0.63 C ATOM 1055 O GLN A 67 18.992 6.687 -11.688 1.00 0.78 O ATOM 1056 CB GLN A 67 18.490 4.313 -13.131 1.00 0.70 C ATOM 1057 CG GLN A 67 18.507 2.852 -13.597 1.00 0.88 C ATOM 1058 CD GLN A 67 17.159 2.355 -14.115 1.00 1.20 C ATOM 1059 OE1 GLN A 67 16.836 2.537 -15.290 1.00 1.96 O ATOM 1060 NE2 GLN A 67 16.372 1.711 -13.253 1.00 1.86 N ATOM 0 H GLN A 67 15.938 3.856 -11.237 1.00 0.55 H new ATOM 0 HA GLN A 67 18.127 3.665 -11.116 1.00 0.60 H new ATOM 0 HB2 GLN A 67 17.932 4.906 -13.856 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.512 4.692 -13.128 1.00 0.70 H new ATOM 0 HG2 GLN A 67 19.252 2.740 -14.385 1.00 0.88 H new ATOM 0 HG3 GLN A 67 18.823 2.219 -12.767 1.00 0.88 H new ATOM 0 HE21 GLN A 67 16.673 1.579 -12.287 1.00 1.86 H new ATOM 0 HE22 GLN A 67 15.468 1.350 -13.559 1.00 1.86 H new ATOM 1069 N ASP A 68 18.380 5.802 -9.685 1.00 0.62 N ATOM 1070 CA ASP A 68 18.920 6.905 -8.869 1.00 0.71 C ATOM 1071 C ASP A 68 19.532 6.392 -7.536 1.00 0.77 C ATOM 1072 O ASP A 68 19.673 7.168 -6.584 1.00 1.32 O ATOM 1073 CB ASP A 68 17.804 7.955 -8.610 1.00 0.78 C ATOM 1074 CG ASP A 68 18.302 9.389 -8.733 1.00 1.08 C ATOM 1075 OD1 ASP A 68 18.269 9.936 -9.855 1.00 1.41 O ATOM 1076 OD2 ASP A 68 18.727 9.961 -7.707 1.00 1.37 O ATOM 0 H ASP A 68 17.931 5.066 -9.139 1.00 0.62 H new ATOM 0 HA ASP A 68 19.731 7.378 -9.422 1.00 0.71 H new ATOM 0 HB2 ASP A 68 16.991 7.796 -9.318 1.00 0.78 H new ATOM 0 HB3 ASP A 68 17.393 7.803 -7.612 1.00 0.78 H new ATOM 1081 N SER A 69 19.928 5.084 -7.493 1.00 0.62 N ATOM 1082 CA SER A 69 20.529 4.425 -6.305 1.00 0.67 C ATOM 1083 C SER A 69 19.543 4.291 -5.118 1.00 0.68 C ATOM 1084 O SER A 69 19.253 3.168 -4.693 1.00 1.24 O ATOM 1085 CB SER A 69 21.835 5.122 -5.872 1.00 0.82 C ATOM 1086 OG SER A 69 22.469 4.420 -4.814 1.00 1.31 O ATOM 0 H SER A 69 19.835 4.458 -8.293 1.00 0.62 H new ATOM 0 HA SER A 69 20.773 3.409 -6.616 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.513 5.190 -6.723 1.00 0.82 H new ATOM 0 HB3 SER A 69 21.617 6.142 -5.555 1.00 0.82 H new ATOM 0 HG SER A 69 23.295 4.884 -4.562 1.00 1.31 H new ATOM 1092 N GLU A 70 19.034 5.425 -4.580 1.00 0.66 N ATOM 1093 CA GLU A 70 18.079 5.401 -3.450 1.00 0.77 C ATOM 1094 C GLU A 70 16.663 5.039 -3.930 1.00 0.64 C ATOM 1095 O GLU A 70 16.262 5.425 -5.033 1.00 0.75 O ATOM 1096 CB GLU A 70 18.024 6.760 -2.713 1.00 1.13 C ATOM 1097 CG GLU A 70 19.342 7.208 -2.076 1.00 1.41 C ATOM 1098 CD GLU A 70 20.196 8.058 -3.003 1.00 1.90 C ATOM 1099 OE1 GLU A 70 19.788 9.199 -3.307 1.00 2.41 O ATOM 1100 OE2 GLU A 70 21.270 7.581 -3.426 1.00 2.42 O ATOM 0 H GLU A 70 19.268 6.362 -4.909 1.00 0.66 H new ATOM 0 HA GLU A 70 18.438 4.639 -2.758 1.00 0.77 H new ATOM 0 HB2 GLU A 70 17.701 7.525 -3.419 1.00 1.13 H new ATOM 0 HB3 GLU A 70 17.263 6.703 -1.934 1.00 1.13 H new ATOM 0 HG2 GLU A 70 19.126 7.774 -1.170 1.00 1.41 H new ATOM 0 HG3 GLU A 70 19.910 6.328 -1.774 1.00 1.41 H new ATOM 1107 N LEU A 71 15.917 4.297 -3.090 1.00 0.57 N ATOM 1108 CA LEU A 71 14.538 3.891 -3.406 1.00 0.51 C ATOM 1109 C LEU A 71 13.532 4.780 -2.639 1.00 0.51 C ATOM 1110 O LEU A 71 13.187 4.488 -1.488 1.00 0.53 O ATOM 1111 CB LEU A 71 14.292 2.393 -3.068 1.00 0.53 C ATOM 1112 CG LEU A 71 14.959 1.342 -3.996 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.478 1.286 -3.806 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.342 -0.044 -3.765 1.00 0.74 C ATOM 0 H LEU A 71 16.250 3.966 -2.184 1.00 0.57 H new ATOM 0 HA LEU A 71 14.390 4.021 -4.478 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.638 2.214 -2.050 1.00 0.53 H new ATOM 0 HB3 LEU A 71 13.216 2.217 -3.075 1.00 0.53 H new ATOM 0 HG LEU A 71 14.770 1.652 -5.024 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.901 0.537 -4.476 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.909 2.261 -4.033 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.706 1.020 -2.774 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.820 -0.769 -4.423 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.493 -0.341 -2.727 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.274 -0.007 -3.981 1.00 0.74 H new ATOM 1126 N LYS A 72 13.083 5.884 -3.281 1.00 0.53 N ATOM 1127 CA LYS A 72 12.080 6.818 -2.694 1.00 0.56 C ATOM 1128 C LYS A 72 10.748 6.063 -2.471 1.00 0.50 C ATOM 1129 O LYS A 72 10.566 4.992 -3.051 1.00 0.48 O ATOM 1130 CB LYS A 72 11.882 8.022 -3.660 1.00 0.63 C ATOM 1131 CG LYS A 72 11.086 9.220 -3.105 1.00 0.86 C ATOM 1132 CD LYS A 72 11.977 10.400 -2.695 1.00 1.00 C ATOM 1133 CE LYS A 72 11.154 11.581 -2.176 1.00 1.43 C ATOM 1134 NZ LYS A 72 10.420 12.298 -3.268 1.00 1.89 N ATOM 0 H LYS A 72 13.399 6.155 -4.212 1.00 0.53 H new ATOM 0 HA LYS A 72 12.429 7.195 -1.732 1.00 0.56 H new ATOM 0 HB2 LYS A 72 12.865 8.378 -3.969 1.00 0.63 H new ATOM 0 HB3 LYS A 72 11.377 7.662 -4.556 1.00 0.63 H new ATOM 0 HG2 LYS A 72 10.374 9.556 -3.859 1.00 0.86 H new ATOM 0 HG3 LYS A 72 10.506 8.894 -2.242 1.00 0.86 H new ATOM 0 HD2 LYS A 72 12.676 10.077 -1.923 1.00 1.00 H new ATOM 0 HD3 LYS A 72 12.572 10.720 -3.550 1.00 1.00 H new ATOM 0 HE2 LYS A 72 10.438 11.223 -1.437 1.00 1.43 H new ATOM 0 HE3 LYS A 72 11.814 12.283 -1.666 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 9.879 13.088 -2.862 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 11.102 12.666 -3.962 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 9.768 11.639 -3.739 1.00 1.89 H new ATOM 1148 N PHE A 73 9.824 6.589 -1.629 1.00 0.53 N ATOM 1149 CA PHE A 73 8.518 5.914 -1.397 1.00 0.50 C ATOM 1150 C PHE A 73 7.737 5.696 -2.719 1.00 0.47 C ATOM 1151 O PHE A 73 6.882 4.810 -2.784 1.00 0.47 O ATOM 1152 CB PHE A 73 7.644 6.668 -0.363 1.00 0.56 C ATOM 1153 CG PHE A 73 7.113 5.771 0.740 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.993 4.966 0.533 1.00 0.89 C ATOM 1155 CD2 PHE A 73 7.742 5.720 1.975 1.00 0.87 C ATOM 1156 CE1 PHE A 73 5.523 4.138 1.537 1.00 1.12 C ATOM 1157 CE2 PHE A 73 7.273 4.899 2.979 1.00 1.11 C ATOM 1158 CZ PHE A 73 6.166 4.106 2.761 1.00 1.20 C ATOM 0 H PHE A 73 9.951 7.457 -1.109 1.00 0.53 H new ATOM 0 HA PHE A 73 8.751 4.935 -0.979 1.00 0.50 H new ATOM 0 HB2 PHE A 73 8.231 7.471 0.082 1.00 0.56 H new ATOM 0 HB3 PHE A 73 6.805 7.135 -0.878 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.487 4.989 -0.421 1.00 0.89 H new ATOM 0 HD2 PHE A 73 8.613 6.333 2.153 1.00 0.87 H new ATOM 0 HE1 PHE A 73 4.656 3.518 1.365 1.00 1.12 H new ATOM 0 HE2 PHE A 73 7.773 4.877 3.936 1.00 1.11 H new ATOM 0 HZ PHE A 73 5.801 3.460 3.546 1.00 1.20 H new ATOM 1168 N ASN A 74 8.022 6.520 -3.759 1.00 0.49 N ATOM 1169 CA ASN A 74 7.400 6.358 -5.091 1.00 0.51 C ATOM 1170 C ASN A 74 7.964 5.091 -5.788 1.00 0.49 C ATOM 1171 O ASN A 74 7.263 4.453 -6.577 1.00 0.53 O ATOM 1172 CB ASN A 74 7.630 7.615 -5.960 1.00 0.57 C ATOM 1173 CG ASN A 74 6.780 7.632 -7.233 1.00 0.65 C ATOM 1174 OD1 ASN A 74 7.194 7.109 -8.268 1.00 0.98 O ATOM 1175 ND2 ASN A 74 5.586 8.231 -7.163 1.00 0.91 N ATOM 0 H ASN A 74 8.677 7.300 -3.698 1.00 0.49 H new ATOM 0 HA ASN A 74 6.325 6.235 -4.963 1.00 0.51 H new ATOM 0 HB2 ASN A 74 7.406 8.503 -5.369 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.684 7.672 -6.234 1.00 0.57 H new ATOM 0 HD21 ASN A 74 4.984 8.266 -7.985 1.00 0.91 H new ATOM 0 HD22 ASN A 74 5.278 8.653 -6.287 1.00 0.91 H new ATOM 1182 N GLU A 75 9.248 4.749 -5.501 1.00 0.46 N ATOM 1183 CA GLU A 75 9.890 3.532 -6.042 1.00 0.47 C ATOM 1184 C GLU A 75 9.532 2.334 -5.140 1.00 0.43 C ATOM 1185 O GLU A 75 9.147 1.272 -5.636 1.00 0.44 O ATOM 1186 CB GLU A 75 11.429 3.690 -6.135 1.00 0.53 C ATOM 1187 CG GLU A 75 11.917 4.559 -7.300 1.00 0.61 C ATOM 1188 CD GLU A 75 11.784 6.052 -7.039 1.00 0.78 C ATOM 1189 OE1 GLU A 75 10.714 6.617 -7.348 1.00 1.03 O ATOM 1190 OE2 GLU A 75 12.752 6.651 -6.524 1.00 0.98 O ATOM 0 H GLU A 75 9.855 5.303 -4.897 1.00 0.46 H new ATOM 0 HA GLU A 75 9.519 3.364 -7.053 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.793 4.120 -5.202 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.877 2.700 -6.226 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.962 4.325 -7.505 1.00 0.61 H new ATOM 0 HG3 GLU A 75 11.352 4.303 -8.196 1.00 0.61 H new ATOM 1197 N TYR A 76 9.644 2.541 -3.804 1.00 0.42 N ATOM 1198 CA TYR A 76 9.298 1.523 -2.782 1.00 0.41 C ATOM 1199 C TYR A 76 7.790 1.137 -2.861 1.00 0.39 C ATOM 1200 O TYR A 76 7.385 0.083 -2.365 1.00 0.52 O ATOM 1201 CB TYR A 76 9.664 2.063 -1.377 1.00 0.44 C ATOM 1202 CG TYR A 76 9.732 1.013 -0.276 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.637 -0.045 -0.343 1.00 0.52 C ATOM 1204 CD2 TYR A 76 8.896 1.085 0.833 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.700 -0.992 0.655 1.00 0.59 C ATOM 1206 CE2 TYR A 76 8.958 0.141 1.835 1.00 0.57 C ATOM 1207 CZ TYR A 76 9.858 -0.899 1.742 1.00 0.59 C ATOM 1208 OH TYR A 76 9.924 -1.846 2.743 1.00 0.69 O ATOM 0 H TYR A 76 9.977 3.419 -3.406 1.00 0.42 H new ATOM 0 HA TYR A 76 9.872 0.616 -2.975 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.630 2.565 -1.438 1.00 0.44 H new ATOM 0 HB3 TYR A 76 8.930 2.817 -1.093 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.300 -0.123 -1.192 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.186 1.895 0.910 1.00 0.51 H new ATOM 0 HE1 TYR A 76 11.407 -1.805 0.586 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.303 0.216 2.691 1.00 0.57 H new ATOM 0 HH TYR A 76 9.265 -1.635 3.437 1.00 0.69 H new ATOM 1218 N TRP A 77 6.984 2.036 -3.478 1.00 0.40 N ATOM 1219 CA TRP A 77 5.532 1.869 -3.730 1.00 0.42 C ATOM 1220 C TRP A 77 5.174 0.451 -4.250 1.00 0.37 C ATOM 1221 O TRP A 77 4.207 -0.155 -3.781 1.00 0.39 O ATOM 1222 CB TRP A 77 5.138 2.950 -4.770 1.00 0.58 C ATOM 1223 CG TRP A 77 3.696 3.028 -5.203 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.582 2.612 -4.533 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.237 3.611 -6.429 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.459 2.887 -5.279 1.00 0.77 N ATOM 1227 CE2 TRP A 77 1.839 3.505 -6.446 1.00 0.97 C ATOM 1228 CE3 TRP A 77 3.881 4.210 -7.518 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 1.075 3.981 -7.510 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 3.124 4.679 -8.570 1.00 1.45 C ATOM 1231 CH2 TRP A 77 1.731 4.565 -8.559 1.00 1.62 C ATOM 0 H TRP A 77 7.339 2.927 -3.825 1.00 0.40 H new ATOM 0 HA TRP A 77 4.980 1.985 -2.797 1.00 0.42 H new ATOM 0 HB2 TRP A 77 5.417 3.922 -4.362 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.745 2.792 -5.661 1.00 0.58 H new ATOM 0 HD1 TRP A 77 2.582 2.138 -3.563 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.500 2.668 -5.009 1.00 0.77 H new ATOM 0 HE3 TRP A 77 4.957 4.303 -7.534 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 -0.001 3.892 -7.507 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 3.614 5.141 -9.414 1.00 1.45 H new ATOM 0 HH2 TRP A 77 1.162 4.945 -9.394 1.00 1.62 H new ATOM 1242 N ARG A 78 5.972 -0.060 -5.214 1.00 0.39 N ATOM 1243 CA ARG A 78 5.756 -1.394 -5.825 1.00 0.42 C ATOM 1244 C ARG A 78 5.882 -2.552 -4.808 1.00 0.40 C ATOM 1245 O ARG A 78 5.216 -3.579 -4.967 1.00 0.45 O ATOM 1246 CB ARG A 78 6.748 -1.618 -6.990 1.00 0.49 C ATOM 1247 CG ARG A 78 6.533 -0.700 -8.204 1.00 0.64 C ATOM 1248 CD ARG A 78 5.375 -1.161 -9.090 1.00 0.82 C ATOM 1249 NE ARG A 78 5.726 -2.347 -9.898 1.00 1.11 N ATOM 1250 CZ ARG A 78 5.743 -2.421 -11.252 1.00 1.57 C ATOM 1251 NH1 ARG A 78 5.452 -1.367 -12.032 1.00 1.96 N ATOM 1252 NH2 ARG A 78 6.065 -3.577 -11.834 1.00 1.93 N ATOM 0 H ARG A 78 6.780 0.436 -5.590 1.00 0.39 H new ATOM 0 HA ARG A 78 4.732 -1.401 -6.198 1.00 0.42 H new ATOM 0 HB2 ARG A 78 7.762 -1.474 -6.618 1.00 0.49 H new ATOM 0 HB3 ARG A 78 6.673 -2.655 -7.318 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.339 0.315 -7.858 1.00 0.64 H new ATOM 0 HG3 ARG A 78 7.448 -0.666 -8.796 1.00 0.64 H new ATOM 0 HD2 ARG A 78 4.512 -1.392 -8.465 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.081 -0.347 -9.752 1.00 0.82 H new ATOM 0 HE ARG A 78 5.980 -3.193 -9.388 1.00 1.11 H new ATOM 0 HH11 ARG A 78 5.207 -0.472 -11.609 1.00 1.96 H new ATOM 0 HH12 ARG A 78 5.476 -1.462 -13.047 1.00 1.96 H new ATOM 0 HH21 ARG A 78 6.294 -4.390 -11.262 1.00 1.93 H new ATOM 0 HH22 ARG A 78 6.082 -3.648 -12.851 1.00 1.93 H new ATOM 1266 N LEU A 79 6.736 -2.389 -3.773 1.00 0.37 N ATOM 1267 CA LEU A 79 6.933 -3.435 -2.748 1.00 0.37 C ATOM 1268 C LEU A 79 5.795 -3.422 -1.707 1.00 0.36 C ATOM 1269 O LEU A 79 5.428 -4.483 -1.195 1.00 0.39 O ATOM 1270 CB LEU A 79 8.305 -3.277 -2.050 1.00 0.40 C ATOM 1271 CG LEU A 79 8.802 -4.513 -1.253 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.342 -5.599 -2.187 1.00 0.49 C ATOM 1273 CD2 LEU A 79 9.861 -4.108 -0.228 1.00 0.53 C ATOM 0 H LEU A 79 7.296 -1.549 -3.627 1.00 0.37 H new ATOM 0 HA LEU A 79 6.915 -4.399 -3.257 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.051 -3.032 -2.806 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.250 -2.427 -1.370 1.00 0.40 H new ATOM 0 HG LEU A 79 7.947 -4.928 -0.719 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.682 -6.450 -1.597 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.552 -5.920 -2.866 1.00 0.49 H new ATOM 0 HD13 LEU A 79 10.177 -5.201 -2.764 1.00 0.49 H new ATOM 0 HD21 LEU A 79 10.195 -4.990 0.319 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.710 -3.657 -0.741 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.435 -3.388 0.471 1.00 0.53 H new ATOM 1285 N ILE A 80 5.238 -2.222 -1.400 1.00 0.38 N ATOM 1286 CA ILE A 80 4.120 -2.089 -0.430 1.00 0.41 C ATOM 1287 C ILE A 80 2.889 -2.887 -0.921 1.00 0.40 C ATOM 1288 O ILE A 80 2.134 -3.425 -0.104 1.00 0.43 O ATOM 1289 CB ILE A 80 3.729 -0.587 -0.164 1.00 0.49 C ATOM 1290 CG1 ILE A 80 4.956 0.251 0.298 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.581 -0.462 0.854 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.612 -0.200 1.602 1.00 0.61 C ATOM 0 H ILE A 80 5.543 -1.338 -1.807 1.00 0.38 H new ATOM 0 HA ILE A 80 4.465 -2.501 0.518 1.00 0.41 H new ATOM 0 HB ILE A 80 3.378 -0.185 -1.114 1.00 0.49 H new ATOM 0 HG12 ILE A 80 5.707 0.228 -0.492 1.00 0.53 H new ATOM 0 HG13 ILE A 80 4.643 1.289 0.410 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.344 0.591 1.008 1.00 0.59 H new ATOM 0 HG22 ILE A 80 1.700 -0.981 0.475 1.00 0.59 H new ATOM 0 HG23 ILE A 80 2.885 -0.907 1.801 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.455 0.452 1.830 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.884 -0.149 2.412 1.00 0.61 H new ATOM 0 HD13 ILE A 80 5.965 -1.226 1.496 1.00 0.61 H new ATOM 1304 N GLY A 81 2.693 -2.945 -2.260 1.00 0.40 N ATOM 1305 CA GLY A 81 1.595 -3.714 -2.846 1.00 0.44 C ATOM 1306 C GLY A 81 1.761 -5.216 -2.613 1.00 0.41 C ATOM 1307 O GLY A 81 0.785 -5.906 -2.303 1.00 0.47 O ATOM 0 H GLY A 81 3.283 -2.468 -2.942 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.650 -3.382 -2.416 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.545 -3.516 -3.917 1.00 0.44 H new ATOM 1311 N GLU A 82 3.010 -5.715 -2.761 1.00 0.38 N ATOM 1312 CA GLU A 82 3.337 -7.139 -2.536 1.00 0.38 C ATOM 1313 C GLU A 82 3.328 -7.489 -1.030 1.00 0.36 C ATOM 1314 O GLU A 82 3.095 -8.646 -0.669 1.00 0.42 O ATOM 1315 CB GLU A 82 4.712 -7.493 -3.161 1.00 0.43 C ATOM 1316 CG GLU A 82 4.654 -7.925 -4.627 1.00 0.51 C ATOM 1317 CD GLU A 82 4.010 -9.293 -4.819 1.00 0.62 C ATOM 1318 OE1 GLU A 82 4.735 -10.308 -4.747 1.00 0.83 O ATOM 1319 OE2 GLU A 82 2.781 -9.348 -5.036 1.00 0.86 O ATOM 0 H GLU A 82 3.811 -5.147 -3.037 1.00 0.38 H new ATOM 0 HA GLU A 82 2.566 -7.734 -3.026 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.368 -6.627 -3.077 1.00 0.43 H new ATOM 0 HB3 GLU A 82 5.166 -8.294 -2.578 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.095 -7.183 -5.197 1.00 0.51 H new ATOM 0 HG3 GLU A 82 5.665 -7.945 -5.035 1.00 0.51 H new ATOM 1326 N LEU A 83 3.593 -6.487 -0.156 1.00 0.36 N ATOM 1327 CA LEU A 83 3.591 -6.687 1.313 1.00 0.39 C ATOM 1328 C LEU A 83 2.215 -7.179 1.803 1.00 0.40 C ATOM 1329 O LEU A 83 2.122 -8.221 2.456 1.00 0.49 O ATOM 1330 CB LEU A 83 3.972 -5.370 2.057 1.00 0.44 C ATOM 1331 CG LEU A 83 5.408 -5.289 2.629 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.453 -5.133 1.525 1.00 0.67 C ATOM 1333 CD2 LEU A 83 5.519 -4.142 3.645 1.00 0.61 C ATOM 0 H LEU A 83 3.811 -5.533 -0.444 1.00 0.36 H new ATOM 0 HA LEU A 83 4.338 -7.448 1.539 1.00 0.39 H new ATOM 0 HB2 LEU A 83 3.832 -4.537 1.368 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.269 -5.227 2.878 1.00 0.44 H new ATOM 0 HG LEU A 83 5.611 -6.231 3.138 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.447 -5.080 1.970 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.402 -5.989 0.852 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.257 -4.219 0.965 1.00 0.67 H new ATOM 0 HD21 LEU A 83 6.535 -4.100 4.037 1.00 0.61 H new ATOM 0 HD22 LEU A 83 5.279 -3.198 3.156 1.00 0.61 H new ATOM 0 HD23 LEU A 83 4.821 -4.313 4.465 1.00 0.61 H new ATOM 1345 N ALA A 84 1.156 -6.427 1.457 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.223 -6.747 1.872 1.00 0.45 C ATOM 1347 C ALA A 84 -0.885 -7.837 0.998 1.00 0.45 C ATOM 1348 O ALA A 84 -1.851 -8.464 1.440 1.00 0.55 O ATOM 1349 CB ALA A 84 -1.063 -5.480 1.867 1.00 0.54 C ATOM 0 H ALA A 84 1.229 -5.585 0.886 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.168 -7.157 2.881 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -2.082 -5.718 2.174 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.635 -4.757 2.561 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -1.076 -5.056 0.863 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.388 -8.047 -0.239 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.949 -9.076 -1.140 1.00 0.46 C ATOM 1357 C LYS A 85 -0.409 -10.477 -0.784 1.00 0.47 C ATOM 1358 O LYS A 85 -1.149 -11.463 -0.863 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.640 -8.730 -2.615 1.00 0.49 C ATOM 1360 CG LYS A 85 -1.440 -9.545 -3.644 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.613 -9.928 -4.878 1.00 0.64 C ATOM 1362 CE LYS A 85 -0.395 -8.754 -5.834 1.00 0.69 C ATOM 1363 NZ LYS A 85 0.375 -9.153 -7.048 1.00 0.96 N ATOM 0 H LYS A 85 0.393 -7.523 -0.634 1.00 0.42 H new ATOM 0 HA LYS A 85 -2.031 -9.090 -1.008 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.840 -7.671 -2.776 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.424 -8.885 -2.796 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -1.815 -10.452 -3.169 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -2.309 -8.968 -3.960 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.355 -10.313 -4.556 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -1.116 -10.735 -5.410 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -1.361 -8.348 -6.135 1.00 0.69 H new ATOM 0 HE3 LYS A 85 0.137 -7.958 -5.314 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 0.397 -8.360 -7.721 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 1.347 -9.404 -6.776 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 -0.082 -9.974 -7.495 1.00 0.96 H new ATOM 1377 N GLU A 86 0.881 -10.554 -0.377 1.00 0.42 N ATOM 1378 CA GLU A 86 1.522 -11.834 -0.006 1.00 0.46 C ATOM 1379 C GLU A 86 1.476 -12.087 1.528 1.00 0.52 C ATOM 1380 O GLU A 86 2.400 -12.695 2.081 1.00 0.92 O ATOM 1381 CB GLU A 86 2.991 -11.867 -0.506 1.00 0.49 C ATOM 1382 CG GLU A 86 3.174 -11.659 -2.017 1.00 0.55 C ATOM 1383 CD GLU A 86 2.786 -12.872 -2.848 1.00 1.03 C ATOM 1384 OE1 GLU A 86 3.637 -13.770 -3.021 1.00 1.52 O ATOM 1385 OE2 GLU A 86 1.634 -12.920 -3.329 1.00 1.65 O ATOM 0 H GLU A 86 1.496 -9.744 -0.298 1.00 0.42 H new ATOM 0 HA GLU A 86 0.957 -12.631 -0.489 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.554 -11.097 0.021 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.429 -12.827 -0.232 1.00 0.49 H new ATOM 0 HG2 GLU A 86 2.575 -10.805 -2.333 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.216 -11.409 -2.218 1.00 0.55 H new ATOM 1392 N ILE A 87 0.397 -11.631 2.211 1.00 0.44 N ATOM 1393 CA ILE A 87 0.232 -11.836 3.670 1.00 0.47 C ATOM 1394 C ILE A 87 -0.777 -12.975 3.939 1.00 0.51 C ATOM 1395 O ILE A 87 -0.519 -13.842 4.781 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.186 -10.500 4.406 1.00 0.51 C ATOM 1397 CG1 ILE A 87 0.042 -10.576 5.954 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.619 -10.052 4.064 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -0.925 -11.444 6.748 1.00 0.66 C ATOM 0 H ILE A 87 -0.370 -11.120 1.775 1.00 0.44 H new ATOM 0 HA ILE A 87 1.197 -12.130 4.083 1.00 0.47 H new ATOM 0 HB ILE A 87 0.481 -9.729 4.021 1.00 0.51 H new ATOM 0 HG12 ILE A 87 1.053 -10.944 6.131 1.00 0.59 H new ATOM 0 HG13 ILE A 87 -0.003 -9.563 6.354 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -1.849 -9.130 4.598 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.700 -9.879 2.991 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.324 -10.829 4.361 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -0.659 -11.412 7.805 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -1.941 -11.070 6.618 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -0.868 -12.472 6.391 1.00 0.66 H new ATOM 1411 N ARG A 88 -1.904 -12.987 3.189 1.00 0.54 N ATOM 1412 CA ARG A 88 -2.958 -14.002 3.356 1.00 0.68 C ATOM 1413 C ARG A 88 -2.913 -15.077 2.251 1.00 0.68 C ATOM 1414 O ARG A 88 -3.158 -16.255 2.538 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.361 -13.333 3.458 1.00 0.83 C ATOM 1416 CG ARG A 88 -5.015 -12.862 2.140 1.00 0.91 C ATOM 1417 CD ARG A 88 -4.613 -11.441 1.745 1.00 1.05 C ATOM 1418 NE ARG A 88 -5.101 -11.070 0.403 1.00 1.18 N ATOM 1419 CZ ARG A 88 -5.100 -9.819 -0.104 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -4.747 -8.761 0.642 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -5.465 -9.628 -1.369 1.00 1.73 N ATOM 0 H ARG A 88 -2.102 -12.300 2.461 1.00 0.54 H new ATOM 0 HA ARG A 88 -2.766 -14.520 4.296 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.038 -14.040 3.938 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.277 -12.472 4.121 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -4.738 -13.547 1.339 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -6.099 -12.911 2.241 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -5.007 -10.738 2.479 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -3.527 -11.353 1.771 1.00 1.05 H new ATOM 0 HE ARG A 88 -5.468 -11.817 -0.187 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -4.471 -8.892 1.615 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -4.754 -7.825 0.236 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -5.742 -10.423 -1.945 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -5.468 -8.687 -1.762 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.602 -14.673 0.992 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.541 -15.611 -0.145 1.00 0.64 C ATOM 1437 C LYS A 89 -1.171 -15.558 -0.867 1.00 0.58 C ATOM 1438 O LYS A 89 -1.101 -15.303 -2.076 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.723 -15.365 -1.125 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.762 -13.979 -1.793 1.00 0.77 C ATOM 1441 CD LYS A 89 -4.819 -13.908 -2.901 1.00 1.00 C ATOM 1442 CE LYS A 89 -4.592 -12.723 -3.836 1.00 1.22 C ATOM 1443 NZ LYS A 89 -5.623 -12.646 -4.913 1.00 1.52 N ATOM 0 H LYS A 89 -2.391 -13.706 0.746 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.642 -16.621 0.252 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -3.686 -16.123 -1.907 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.657 -15.512 -0.582 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.973 -13.219 -1.041 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.782 -13.750 -2.211 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -4.802 -14.833 -3.478 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -5.809 -13.831 -2.452 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -4.604 -11.799 -3.258 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -3.603 -12.803 -4.288 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -5.428 -11.826 -5.523 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -5.595 -13.516 -5.483 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -6.565 -12.542 -4.485 1.00 1.52 H new ATOM 1457 N LYS A 90 -0.077 -15.820 -0.120 1.00 0.56 N ATOM 1458 CA LYS A 90 1.291 -15.834 -0.705 1.00 0.55 C ATOM 1459 C LYS A 90 1.419 -16.979 -1.740 1.00 0.55 C ATOM 1460 O LYS A 90 2.128 -16.843 -2.740 1.00 0.60 O ATOM 1461 CB LYS A 90 2.400 -15.927 0.386 1.00 0.61 C ATOM 1462 CG LYS A 90 2.198 -16.997 1.480 1.00 0.71 C ATOM 1463 CD LYS A 90 1.634 -16.425 2.799 1.00 0.97 C ATOM 1464 CE LYS A 90 2.659 -15.614 3.602 1.00 1.39 C ATOM 1465 NZ LYS A 90 3.702 -16.468 4.250 1.00 1.87 N ATOM 0 H LYS A 90 -0.108 -16.023 0.879 1.00 0.56 H new ATOM 0 HA LYS A 90 1.442 -14.883 -1.217 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.351 -16.120 -0.109 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.485 -14.954 0.871 1.00 0.61 H new ATOM 0 HG2 LYS A 90 1.521 -17.765 1.106 1.00 0.71 H new ATOM 0 HG3 LYS A 90 3.152 -17.484 1.682 1.00 0.71 H new ATOM 0 HD2 LYS A 90 0.777 -15.791 2.573 1.00 0.97 H new ATOM 0 HD3 LYS A 90 1.269 -17.247 3.415 1.00 0.97 H new ATOM 0 HE2 LYS A 90 3.144 -14.896 2.941 1.00 1.39 H new ATOM 0 HE3 LYS A 90 2.139 -15.040 4.369 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 4.356 -15.867 4.792 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 3.245 -17.148 4.891 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 4.232 -16.984 3.519 1.00 1.87 H new ATOM 1479 N LYS A 91 0.715 -18.097 -1.475 1.00 0.57 N ATOM 1480 CA LYS A 91 0.663 -19.262 -2.370 1.00 0.64 C ATOM 1481 C LYS A 91 -0.767 -19.836 -2.324 1.00 0.69 C ATOM 1482 O LYS A 91 -1.019 -20.839 -1.651 1.00 0.71 O ATOM 1483 CB LYS A 91 1.704 -20.336 -1.967 1.00 0.72 C ATOM 1484 CG LYS A 91 3.160 -19.969 -2.276 1.00 0.85 C ATOM 1485 CD LYS A 91 4.119 -21.115 -1.926 1.00 0.97 C ATOM 1486 CE LYS A 91 5.591 -20.696 -1.998 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.090 -20.568 -3.402 1.00 1.53 N ATOM 0 H LYS A 91 0.163 -18.214 -0.625 1.00 0.57 H new ATOM 0 HA LYS A 91 0.912 -18.953 -3.385 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.612 -20.528 -0.898 1.00 0.72 H new ATOM 0 HB3 LYS A 91 1.462 -21.267 -2.480 1.00 0.72 H new ATOM 0 HG2 LYS A 91 3.257 -19.723 -3.333 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.438 -19.077 -1.714 1.00 0.85 H new ATOM 0 HD2 LYS A 91 3.897 -21.476 -0.922 1.00 0.97 H new ATOM 0 HD3 LYS A 91 3.948 -21.948 -2.609 1.00 0.97 H new ATOM 0 HE2 LYS A 91 5.718 -19.743 -1.484 1.00 1.29 H new ATOM 0 HE3 LYS A 91 6.199 -21.428 -1.467 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.090 -20.283 -3.390 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 5.996 -21.482 -3.888 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 5.531 -19.850 -3.905 1.00 1.53 H new ATOM 1501 N ASP A 92 -1.712 -19.173 -3.028 1.00 0.78 N ATOM 1502 CA ASP A 92 -3.140 -19.597 -3.042 1.00 0.87 C ATOM 1503 C ASP A 92 -3.342 -21.042 -3.554 1.00 1.03 C ATOM 1504 O ASP A 92 -4.235 -21.745 -3.072 1.00 1.81 O ATOM 1505 CB ASP A 92 -4.018 -18.616 -3.858 1.00 0.89 C ATOM 1506 CG ASP A 92 -3.615 -18.488 -5.323 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -2.773 -17.619 -5.635 1.00 1.01 O ATOM 1508 OD2 ASP A 92 -4.146 -19.256 -6.154 1.00 1.18 O ATOM 0 H ASP A 92 -1.518 -18.346 -3.593 1.00 0.78 H new ATOM 0 HA ASP A 92 -3.461 -19.577 -2.000 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -5.056 -18.945 -3.806 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -3.972 -17.631 -3.393 1.00 0.89 H new ATOM 1513 N LEU A 93 -2.500 -21.478 -4.511 1.00 0.67 N ATOM 1514 CA LEU A 93 -2.595 -22.834 -5.092 1.00 0.70 C ATOM 1515 C LEU A 93 -2.106 -23.934 -4.121 1.00 0.70 C ATOM 1516 O LEU A 93 -2.562 -25.078 -4.218 1.00 0.79 O ATOM 1517 CB LEU A 93 -1.801 -22.906 -6.419 1.00 0.77 C ATOM 1518 CG LEU A 93 -2.243 -24.008 -7.413 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -3.572 -23.647 -8.087 1.00 1.24 C ATOM 1520 CD2 LEU A 93 -1.156 -24.263 -8.462 1.00 1.15 C ATOM 0 H LEU A 93 -1.746 -20.912 -4.899 1.00 0.67 H new ATOM 0 HA LEU A 93 -3.651 -23.023 -5.285 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -1.878 -21.941 -6.919 1.00 0.77 H new ATOM 0 HB3 LEU A 93 -0.748 -23.059 -6.182 1.00 0.77 H new ATOM 0 HG LEU A 93 -2.394 -24.926 -6.846 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -3.856 -24.440 -8.779 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -4.346 -23.533 -7.328 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -3.460 -22.711 -8.634 1.00 1.24 H new ATOM 0 HD21 LEU A 93 -1.489 -25.041 -9.149 1.00 1.15 H new ATOM 0 HD22 LEU A 93 -0.964 -23.345 -9.018 1.00 1.15 H new ATOM 0 HD23 LEU A 93 -0.240 -24.585 -7.966 1.00 1.15 H new ATOM 1532 N LYS A 94 -1.189 -23.586 -3.190 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.644 -24.552 -2.217 1.00 0.77 C ATOM 1534 C LYS A 94 -1.287 -24.373 -0.823 1.00 0.71 C ATOM 1535 O LYS A 94 -1.874 -25.320 -0.291 1.00 0.77 O ATOM 1536 CB LYS A 94 0.895 -24.398 -2.131 1.00 0.92 C ATOM 1537 CG LYS A 94 1.616 -25.529 -1.387 1.00 1.09 C ATOM 1538 CD LYS A 94 1.670 -26.824 -2.204 1.00 1.23 C ATOM 1539 CE LYS A 94 2.471 -27.922 -1.501 1.00 1.57 C ATOM 1540 NZ LYS A 94 1.826 -28.394 -0.236 1.00 1.73 N ATOM 0 H LYS A 94 -0.813 -22.643 -3.094 1.00 0.70 H new ATOM 0 HA LYS A 94 -0.885 -25.558 -2.562 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.296 -24.334 -3.142 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.124 -23.454 -1.637 1.00 0.92 H new ATOM 0 HG2 LYS A 94 2.631 -25.212 -1.146 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.108 -25.720 -0.442 1.00 1.09 H new ATOM 0 HD2 LYS A 94 0.655 -27.178 -2.387 1.00 1.23 H new ATOM 0 HD3 LYS A 94 2.116 -26.619 -3.177 1.00 1.23 H new ATOM 0 HE2 LYS A 94 2.592 -28.767 -2.179 1.00 1.57 H new ATOM 0 HE3 LYS A 94 3.470 -27.549 -1.276 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 2.412 -29.137 0.196 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 1.734 -27.597 0.425 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 0.883 -28.777 -0.449 1.00 1.73 H new ATOM 1554 N ILE A 95 -1.175 -23.157 -0.248 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.723 -22.845 1.090 1.00 0.67 C ATOM 1556 C ILE A 95 -2.872 -21.821 1.008 1.00 0.67 C ATOM 1557 O ILE A 95 -2.705 -20.731 0.452 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.611 -22.340 2.080 1.00 0.75 C ATOM 1559 CG1 ILE A 95 0.269 -21.227 1.444 1.00 0.87 C ATOM 1560 CG2 ILE A 95 0.253 -23.519 2.550 1.00 0.85 C ATOM 1561 CD1 ILE A 95 1.169 -20.492 2.425 1.00 1.06 C ATOM 0 H ILE A 95 -0.706 -22.369 -0.694 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.123 -23.779 1.485 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.108 -21.900 2.944 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.889 -21.673 0.666 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.382 -20.502 0.956 1.00 0.87 H new ATOM 0 HG21 ILE A 95 1.020 -23.158 3.235 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.375 -24.249 3.060 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.728 -23.988 1.688 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.745 -19.735 1.893 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.558 -20.012 3.190 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.850 -21.201 2.896 1.00 1.06 H new ATOM 1573 N ARG A 96 -4.041 -22.189 1.569 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.232 -21.320 1.566 1.00 0.77 C ATOM 1575 C ARG A 96 -6.028 -21.449 2.891 1.00 0.77 C ATOM 1576 O ARG A 96 -7.266 -21.492 2.884 1.00 0.93 O ATOM 1577 CB ARG A 96 -6.120 -21.632 0.334 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.437 -23.118 0.122 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.559 -23.328 -0.899 1.00 1.26 C ATOM 1580 NE ARG A 96 -8.893 -23.009 -0.352 1.00 1.40 N ATOM 1581 CZ ARG A 96 -10.035 -22.929 -1.076 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -10.037 -23.116 -2.405 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -11.186 -22.657 -0.458 1.00 2.18 N ATOM 0 H ARG A 96 -4.185 -23.087 2.032 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.902 -20.284 1.493 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -7.058 -21.087 0.434 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.624 -21.251 -0.558 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -5.539 -23.635 -0.216 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -6.724 -23.566 1.073 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.371 -22.705 -1.773 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -7.548 -24.364 -1.238 1.00 1.26 H new ATOM 0 HE ARG A 96 -8.960 -22.835 0.651 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -9.165 -23.324 -2.892 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -10.910 -23.051 -2.928 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.201 -22.511 0.551 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -12.051 -22.595 -0.995 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.300 -21.488 4.030 1.00 0.72 N ATOM 1598 CA LYS A 97 -5.926 -21.598 5.363 1.00 0.75 C ATOM 1599 C LYS A 97 -4.983 -21.090 6.476 1.00 0.74 C ATOM 1600 O LYS A 97 -4.198 -21.859 7.040 1.00 0.95 O ATOM 1601 CB LYS A 97 -6.408 -23.048 5.648 1.00 0.87 C ATOM 1602 CG LYS A 97 -5.364 -24.151 5.414 1.00 0.94 C ATOM 1603 CD LYS A 97 -5.851 -25.509 5.933 1.00 1.10 C ATOM 1604 CE LYS A 97 -4.764 -26.589 5.871 1.00 1.36 C ATOM 1605 NZ LYS A 97 -3.639 -26.337 6.825 1.00 1.74 N ATOM 0 H LYS A 97 -4.281 -21.445 4.051 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.806 -20.955 5.361 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -6.744 -23.104 6.684 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.275 -23.254 5.020 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -5.145 -24.225 4.349 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -4.433 -23.883 5.913 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -6.191 -25.399 6.963 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -6.711 -25.831 5.346 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -5.210 -27.559 6.091 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -4.369 -26.642 4.857 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -2.995 -27.154 6.826 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -3.118 -25.486 6.531 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -4.021 -26.196 7.782 1.00 1.74 H new ATOM 1619 N LYS A 98 -5.061 -19.776 6.768 1.00 0.69 N ATOM 1620 CA LYS A 98 -4.232 -19.143 7.811 1.00 0.72 C ATOM 1621 C LYS A 98 -4.997 -18.004 8.492 1.00 0.76 C ATOM 1622 O LYS A 98 -4.943 -17.847 9.711 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.907 -18.613 7.216 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.780 -19.651 7.191 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.512 -19.106 6.529 1.00 1.35 C ATOM 1626 CE LYS A 98 0.662 -20.083 6.631 1.00 1.61 C ATOM 1627 NZ LYS A 98 0.405 -21.374 5.927 1.00 1.71 N ATOM 0 H LYS A 98 -5.693 -19.131 6.293 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.996 -19.901 8.558 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -3.090 -18.265 6.199 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -2.580 -17.749 7.795 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -1.551 -19.962 8.210 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -2.116 -20.538 6.654 1.00 1.04 H new ATOM 0 HD2 LYS A 98 -0.715 -18.894 5.479 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.237 -18.161 6.998 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.554 -19.617 6.211 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.872 -20.283 7.682 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 1.281 -21.934 5.897 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 -0.329 -21.907 6.436 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 0.084 -21.182 4.957 1.00 1.71 H new ATOM 1642 N MET B 1 -5.690 -18.137 3.683 1.00 0.85 N ATOM 1643 CA MET B 1 -6.550 -17.168 3.006 1.00 0.86 C ATOM 1644 C MET B 1 -6.882 -15.955 3.905 1.00 0.76 C ATOM 1645 O MET B 1 -7.277 -14.904 3.390 1.00 0.93 O ATOM 1646 CB MET B 1 -7.842 -17.844 2.493 1.00 1.04 C ATOM 1647 CG MET B 1 -8.744 -18.443 3.582 1.00 1.09 C ATOM 1648 SD MET B 1 -10.209 -19.255 2.907 1.00 1.44 S ATOM 1649 CE MET B 1 -11.248 -19.370 4.363 1.00 1.75 C ATOM 0 H1 MET B 1 -5.410 -18.881 3.012 1.00 0.85 H new ATOM 0 H2 MET B 1 -4.840 -17.656 4.041 1.00 0.85 H new ATOM 0 H3 MET B 1 -6.207 -18.564 4.478 1.00 0.85 H new ATOM 0 HA MET B 1 -5.994 -16.788 2.149 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.418 -17.110 1.930 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.567 -18.635 1.796 1.00 1.04 H new ATOM 0 HG2 MET B 1 -8.171 -19.163 4.166 1.00 1.09 H new ATOM 0 HG3 MET B 1 -9.054 -17.653 4.266 1.00 1.09 H new ATOM 0 HE1 MET B 1 -12.190 -19.851 4.101 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.740 -19.959 5.127 1.00 1.75 H new ATOM 0 HE3 MET B 1 -11.446 -18.370 4.748 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.736 -16.107 5.245 1.00 0.73 N ATOM 1660 CA ALA B 2 -7.017 -15.023 6.205 1.00 0.67 C ATOM 1661 C ALA B 2 -5.718 -14.380 6.726 1.00 0.60 C ATOM 1662 O ALA B 2 -4.726 -15.075 6.965 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.854 -15.544 7.374 1.00 0.78 C ATOM 0 H ALA B 2 -6.424 -16.975 5.681 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.584 -14.256 5.678 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -8.051 -14.730 8.072 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.799 -15.937 6.998 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -7.309 -16.337 7.886 1.00 0.78 H new ATOM 1669 N ALA B 3 -5.741 -13.040 6.906 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.573 -12.285 7.400 1.00 0.57 C ATOM 1671 C ALA B 3 -4.529 -12.293 8.941 1.00 0.58 C ATOM 1672 O ALA B 3 -5.477 -11.839 9.591 1.00 0.69 O ATOM 1673 CB ALA B 3 -4.605 -10.852 6.857 1.00 0.64 C ATOM 0 H ALA B 3 -6.559 -12.461 6.715 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.665 -12.769 7.040 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -3.739 -10.303 7.227 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -4.581 -10.875 5.768 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -5.517 -10.357 7.190 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.419 -12.808 9.518 1.00 0.56 N ATOM 1680 CA GLU B 4 -3.253 -12.915 10.987 1.00 0.59 C ATOM 1681 C GLU B 4 -1.949 -12.208 11.461 1.00 0.56 C ATOM 1682 O GLU B 4 -0.941 -12.248 10.744 1.00 0.54 O ATOM 1683 CB GLU B 4 -3.246 -14.416 11.368 1.00 0.66 C ATOM 1684 CG GLU B 4 -3.399 -14.717 12.862 1.00 0.79 C ATOM 1685 CD GLU B 4 -3.524 -16.207 13.160 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -2.557 -16.954 12.886 1.00 1.00 O ATOM 1687 OE2 GLU B 4 -4.587 -16.627 13.663 1.00 1.10 O ATOM 0 H GLU B 4 -2.622 -13.157 8.986 1.00 0.56 H new ATOM 0 HA GLU B 4 -4.081 -12.412 11.487 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -4.053 -14.913 10.830 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -2.312 -14.857 11.020 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -2.539 -14.316 13.398 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -4.280 -14.201 13.243 1.00 0.79 H new ATOM 1694 N PRO B 5 -1.945 -11.538 12.672 1.00 0.62 N ATOM 1695 CA PRO B 5 -0.748 -10.825 13.216 1.00 0.65 C ATOM 1696 C PRO B 5 0.520 -11.700 13.326 1.00 0.59 C ATOM 1697 O PRO B 5 0.425 -12.906 13.575 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.205 -10.374 14.613 1.00 0.83 C ATOM 1699 CG PRO B 5 -2.685 -10.280 14.512 1.00 0.80 C ATOM 1700 CD PRO B 5 -3.102 -11.391 13.593 1.00 0.73 C ATOM 0 HA PRO B 5 -0.449 -10.015 12.551 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -0.905 -11.090 15.378 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -0.764 -9.414 14.883 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -3.152 -10.386 15.491 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -2.990 -9.311 14.117 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -3.297 -12.313 14.141 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -4.015 -11.142 13.052 1.00 0.73 H new ATOM 1708 N LEU B 6 1.709 -11.071 13.149 1.00 0.61 N ATOM 1709 CA LEU B 6 3.008 -11.785 13.216 1.00 0.70 C ATOM 1710 C LEU B 6 4.099 -10.935 13.906 1.00 0.73 C ATOM 1711 O LEU B 6 4.641 -11.349 14.936 1.00 1.24 O ATOM 1712 CB LEU B 6 3.483 -12.187 11.796 1.00 0.87 C ATOM 1713 CG LEU B 6 2.550 -13.130 10.996 1.00 0.95 C ATOM 1714 CD1 LEU B 6 2.969 -13.192 9.526 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.525 -14.536 11.611 1.00 1.08 C ATOM 0 H LEU B 6 1.794 -10.072 12.959 1.00 0.61 H new ATOM 0 HA LEU B 6 2.849 -12.682 13.814 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.628 -11.277 11.214 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.458 -12.667 11.885 1.00 0.87 H new ATOM 0 HG LEU B 6 1.541 -12.722 11.047 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.299 -13.860 8.985 1.00 1.18 H new ATOM 0 HD12 LEU B 6 2.916 -12.194 9.090 1.00 1.18 H new ATOM 0 HD13 LEU B 6 3.990 -13.566 9.454 1.00 1.18 H new ATOM 0 HD21 LEU B 6 1.862 -15.176 11.029 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.532 -14.954 11.604 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.164 -14.478 12.638 1.00 1.08 H new ATOM 1727 N THR B 7 4.412 -9.751 13.330 1.00 0.52 N ATOM 1728 CA THR B 7 5.463 -8.845 13.857 1.00 0.50 C ATOM 1729 C THR B 7 5.031 -7.363 13.697 1.00 0.48 C ATOM 1730 O THR B 7 4.000 -7.090 13.088 1.00 0.53 O ATOM 1731 CB THR B 7 6.819 -9.111 13.114 1.00 0.53 C ATOM 1732 OG1 THR B 7 6.960 -10.518 12.851 1.00 0.92 O ATOM 1733 CG2 THR B 7 8.042 -8.644 13.915 1.00 1.06 C ATOM 0 H THR B 7 3.948 -9.398 12.493 1.00 0.52 H new ATOM 0 HA THR B 7 5.602 -9.045 14.919 1.00 0.50 H new ATOM 0 HB THR B 7 6.784 -8.536 12.188 1.00 0.53 H new ATOM 0 HG1 THR B 7 7.036 -10.664 11.885 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.950 -8.855 13.349 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.969 -7.572 14.098 1.00 1.06 H new ATOM 0 HG23 THR B 7 8.077 -9.173 14.867 1.00 1.06 H new ATOM 1741 N GLU B 8 5.822 -6.412 14.254 1.00 0.49 N ATOM 1742 CA GLU B 8 5.519 -4.956 14.181 1.00 0.49 C ATOM 1743 C GLU B 8 5.178 -4.458 12.753 1.00 0.44 C ATOM 1744 O GLU B 8 4.121 -3.850 12.558 1.00 0.47 O ATOM 1745 CB GLU B 8 6.694 -4.130 14.753 1.00 0.54 C ATOM 1746 CG GLU B 8 6.892 -4.285 16.263 1.00 0.95 C ATOM 1747 CD GLU B 8 8.105 -3.532 16.790 1.00 1.01 C ATOM 1748 OE1 GLU B 8 8.014 -2.294 16.954 1.00 1.29 O ATOM 1749 OE2 GLU B 8 9.146 -4.179 17.037 1.00 1.51 O ATOM 0 H GLU B 8 6.680 -6.627 14.762 1.00 0.49 H new ATOM 0 HA GLU B 8 4.624 -4.809 14.785 1.00 0.49 H new ATOM 0 HB2 GLU B 8 7.612 -4.425 14.245 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.528 -3.077 14.526 1.00 0.54 H new ATOM 0 HG2 GLU B 8 6.000 -3.929 16.778 1.00 0.95 H new ATOM 0 HG3 GLU B 8 6.997 -5.343 16.502 1.00 0.95 H new ATOM 1756 N LEU B 9 6.066 -4.722 11.763 1.00 0.42 N ATOM 1757 CA LEU B 9 5.842 -4.282 10.362 1.00 0.39 C ATOM 1758 C LEU B 9 4.891 -5.219 9.600 1.00 0.38 C ATOM 1759 O LEU B 9 4.137 -4.752 8.739 1.00 0.39 O ATOM 1760 CB LEU B 9 7.179 -4.149 9.599 1.00 0.41 C ATOM 1761 CG LEU B 9 8.097 -2.981 10.038 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.488 -3.115 9.412 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.481 -1.619 9.686 1.00 0.65 C ATOM 0 H LEU B 9 6.937 -5.233 11.906 1.00 0.42 H new ATOM 0 HA LEU B 9 5.367 -3.302 10.417 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.732 -5.082 9.710 1.00 0.41 H new ATOM 0 HB3 LEU B 9 6.959 -4.033 8.538 1.00 0.41 H new ATOM 0 HG LEU B 9 8.197 -3.034 11.122 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.114 -2.283 9.735 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.941 -4.055 9.729 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.401 -3.103 8.326 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.151 -0.822 10.008 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.332 -1.555 8.608 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.521 -1.512 10.192 1.00 0.65 H new ATOM 1775 N GLU B 10 4.928 -6.538 9.901 1.00 0.39 N ATOM 1776 CA GLU B 10 4.038 -7.521 9.238 1.00 0.41 C ATOM 1777 C GLU B 10 2.569 -7.338 9.682 1.00 0.42 C ATOM 1778 O GLU B 10 1.654 -7.693 8.934 1.00 0.47 O ATOM 1779 CB GLU B 10 4.486 -8.971 9.514 1.00 0.46 C ATOM 1780 CG GLU B 10 5.899 -9.296 9.030 1.00 0.50 C ATOM 1781 CD GLU B 10 6.288 -10.751 9.255 1.00 0.56 C ATOM 1782 OE1 GLU B 10 5.698 -11.638 8.599 1.00 0.95 O ATOM 1783 OE2 GLU B 10 7.187 -11.006 10.086 1.00 0.95 O ATOM 0 H GLU B 10 5.559 -6.944 10.592 1.00 0.39 H new ATOM 0 HA GLU B 10 4.108 -7.335 8.166 1.00 0.41 H new ATOM 0 HB2 GLU B 10 4.430 -9.158 10.586 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.784 -9.653 9.034 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.974 -9.066 7.967 1.00 0.50 H new ATOM 0 HG3 GLU B 10 6.611 -8.652 9.547 1.00 0.50 H new ATOM 1790 N GLU B 11 2.359 -6.794 10.905 1.00 0.42 N ATOM 1791 CA GLU B 11 1.013 -6.544 11.458 1.00 0.45 C ATOM 1792 C GLU B 11 0.427 -5.217 10.925 1.00 0.43 C ATOM 1793 O GLU B 11 -0.790 -5.108 10.776 1.00 0.45 O ATOM 1794 CB GLU B 11 1.051 -6.531 13.005 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.325 -6.529 13.683 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.245 -6.319 15.185 1.00 0.70 C ATOM 1797 OE1 GLU B 11 -0.046 -5.161 15.614 1.00 0.85 O ATOM 1798 OE2 GLU B 11 -0.383 -7.308 15.935 1.00 0.82 O ATOM 0 H GLU B 11 3.116 -6.519 11.530 1.00 0.42 H new ATOM 0 HA GLU B 11 0.364 -7.357 11.132 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.608 -7.403 13.348 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.603 -5.651 13.333 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -0.939 -5.743 13.244 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -0.826 -7.476 13.480 1.00 0.62 H new ATOM 1805 N SER B 12 1.297 -4.211 10.654 1.00 0.43 N ATOM 1806 CA SER B 12 0.859 -2.896 10.124 1.00 0.44 C ATOM 1807 C SER B 12 0.048 -3.061 8.823 1.00 0.42 C ATOM 1808 O SER B 12 -1.124 -2.677 8.768 1.00 0.47 O ATOM 1809 CB SER B 12 2.070 -1.976 9.881 1.00 0.48 C ATOM 1810 OG SER B 12 2.752 -1.694 11.090 1.00 0.56 O ATOM 0 H SER B 12 2.305 -4.286 10.794 1.00 0.43 H new ATOM 0 HA SER B 12 0.214 -2.436 10.873 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.754 -2.450 9.177 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.736 -1.045 9.423 1.00 0.48 H new ATOM 0 HG SER B 12 3.146 -2.519 11.444 1.00 0.56 H new ATOM 1816 N ILE B 13 0.682 -3.648 7.784 1.00 0.40 N ATOM 1817 CA ILE B 13 0.016 -3.898 6.483 1.00 0.41 C ATOM 1818 C ILE B 13 -1.148 -4.912 6.614 1.00 0.41 C ATOM 1819 O ILE B 13 -2.095 -4.872 5.823 1.00 0.48 O ATOM 1820 CB ILE B 13 1.020 -4.371 5.360 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.893 -5.593 5.792 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.918 -3.208 4.929 1.00 0.53 C ATOM 1823 CD1 ILE B 13 1.269 -6.955 5.531 1.00 0.45 C ATOM 0 H ILE B 13 1.653 -3.958 7.819 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.393 -2.935 6.176 1.00 0.41 H new ATOM 0 HB ILE B 13 0.413 -4.702 4.517 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.847 -5.541 5.268 1.00 0.45 H new ATOM 0 HG13 ILE B 13 2.109 -5.507 6.857 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.606 -3.547 4.154 1.00 0.53 H new ATOM 0 HG22 ILE B 13 1.302 -2.398 4.538 1.00 0.53 H new ATOM 0 HG23 ILE B 13 2.486 -2.850 5.787 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.951 -7.737 5.865 1.00 0.45 H new ATOM 0 HD12 ILE B 13 0.329 -7.035 6.077 1.00 0.45 H new ATOM 0 HD13 ILE B 13 1.079 -7.070 4.464 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.068 -5.813 7.624 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.109 -6.834 7.881 1.00 0.43 C ATOM 1837 C GLU B 14 -3.384 -6.207 8.495 1.00 0.45 C ATOM 1838 O GLU B 14 -4.494 -6.652 8.188 1.00 0.48 O ATOM 1839 CB GLU B 14 -1.536 -7.948 8.800 1.00 0.46 C ATOM 1840 CG GLU B 14 -2.552 -8.978 9.321 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.163 -8.591 10.664 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -2.435 -8.618 11.675 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.365 -8.257 10.698 1.00 1.00 O ATOM 0 H GLU B 14 -0.286 -5.851 8.278 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.399 -7.276 6.928 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -0.758 -8.479 8.252 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.056 -7.474 9.657 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.349 -9.096 8.587 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -2.061 -9.946 9.418 1.00 0.57 H new ATOM 1850 N THR B 15 -3.214 -5.182 9.365 1.00 0.45 N ATOM 1851 CA THR B 15 -4.352 -4.490 10.023 1.00 0.49 C ATOM 1852 C THR B 15 -5.345 -3.892 8.993 1.00 0.47 C ATOM 1853 O THR B 15 -6.545 -3.820 9.272 1.00 0.50 O ATOM 1854 CB THR B 15 -3.849 -3.378 10.998 1.00 0.54 C ATOM 1855 OG1 THR B 15 -2.993 -3.959 11.997 1.00 0.75 O ATOM 1856 CG2 THR B 15 -4.998 -2.647 11.707 1.00 0.88 C ATOM 0 H THR B 15 -2.299 -4.815 9.628 1.00 0.45 H new ATOM 0 HA THR B 15 -4.887 -5.245 10.600 1.00 0.49 H new ATOM 0 HB THR B 15 -3.309 -2.650 10.393 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.207 -4.353 11.565 1.00 0.75 H new ATOM 0 HG21 THR B 15 -4.590 -1.886 12.372 1.00 0.88 H new ATOM 0 HG22 THR B 15 -5.641 -2.174 10.965 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.580 -3.362 12.289 1.00 0.88 H new ATOM 1864 N VAL B 16 -4.840 -3.468 7.816 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.695 -2.909 6.747 1.00 0.47 C ATOM 1866 C VAL B 16 -6.528 -4.027 6.071 1.00 0.47 C ATOM 1867 O VAL B 16 -7.627 -3.759 5.577 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.849 -2.130 5.681 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.714 -1.598 4.525 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -4.072 -0.981 6.341 1.00 0.53 C ATOM 0 H VAL B 16 -3.848 -3.502 7.582 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.379 -2.198 7.211 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.140 -2.840 5.255 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -5.083 -1.066 3.813 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.204 -2.433 4.023 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.469 -0.918 4.919 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.491 -0.453 5.585 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.773 -0.289 6.809 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.400 -1.384 7.098 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.003 -5.275 6.071 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.700 -6.438 5.472 1.00 0.50 C ATOM 1882 C VAL B 17 -7.530 -7.208 6.552 1.00 0.57 C ATOM 1883 O VAL B 17 -7.689 -8.434 6.474 1.00 0.97 O ATOM 1884 CB VAL B 17 -5.689 -7.415 4.752 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -6.406 -8.370 3.788 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.596 -6.645 3.995 1.00 0.55 C ATOM 0 H VAL B 17 -5.097 -5.503 6.480 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.385 -6.053 4.717 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.220 -8.004 5.540 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -5.675 -9.025 3.314 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -7.127 -8.972 4.341 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -6.926 -7.793 3.024 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -3.920 -7.352 3.513 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.056 -6.010 3.238 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.035 -6.027 4.696 1.00 0.55 H new ATOM 1896 N THR B 18 -8.077 -6.477 7.556 1.00 0.50 N ATOM 1897 CA THR B 18 -8.887 -7.077 8.643 1.00 0.52 C ATOM 1898 C THR B 18 -9.979 -6.112 9.157 1.00 0.54 C ATOM 1899 O THR B 18 -11.128 -6.524 9.344 1.00 0.67 O ATOM 1900 CB THR B 18 -8.009 -7.519 9.854 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.202 -6.421 10.309 1.00 0.58 O ATOM 1902 CG2 THR B 18 -7.100 -8.695 9.506 1.00 0.62 C ATOM 0 H THR B 18 -7.970 -5.466 7.634 1.00 0.50 H new ATOM 0 HA THR B 18 -9.360 -7.954 8.201 1.00 0.52 H new ATOM 0 HB THR B 18 -8.691 -7.837 10.643 1.00 0.56 H new ATOM 0 HG1 THR B 18 -7.223 -5.702 9.644 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.508 -8.968 10.379 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.708 -9.546 9.199 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.435 -8.412 8.690 1.00 0.62 H new ATOM 1910 N THR B 19 -9.612 -4.829 9.386 1.00 0.53 N ATOM 1911 CA THR B 19 -10.552 -3.805 9.894 1.00 0.57 C ATOM 1912 C THR B 19 -11.703 -3.518 8.896 1.00 0.57 C ATOM 1913 O THR B 19 -12.862 -3.826 9.197 1.00 0.66 O ATOM 1914 CB THR B 19 -9.806 -2.480 10.256 1.00 0.60 C ATOM 1915 OG1 THR B 19 -8.613 -2.783 10.994 1.00 0.61 O ATOM 1916 CG2 THR B 19 -10.680 -1.542 11.091 1.00 0.69 C ATOM 0 H THR B 19 -8.667 -4.479 9.226 1.00 0.53 H new ATOM 0 HA THR B 19 -10.996 -4.214 10.801 1.00 0.57 H new ATOM 0 HB THR B 19 -9.561 -1.977 9.321 1.00 0.60 H new ATOM 0 HG1 THR B 19 -8.671 -2.384 11.887 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.123 -0.634 11.320 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.578 -1.285 10.529 1.00 0.69 H new ATOM 0 HG23 THR B 19 -10.963 -2.038 12.019 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.384 -2.939 7.715 1.00 0.56 N ATOM 1925 CA PHE B 20 -12.409 -2.621 6.696 1.00 0.60 C ATOM 1926 C PHE B 20 -12.630 -3.783 5.695 1.00 0.60 C ATOM 1927 O PHE B 20 -13.573 -3.722 4.902 1.00 0.94 O ATOM 1928 CB PHE B 20 -12.055 -1.314 5.943 1.00 0.68 C ATOM 1929 CG PHE B 20 -13.229 -0.685 5.197 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -14.219 0.015 5.885 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -13.341 -0.796 3.813 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -15.282 0.586 5.211 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -14.405 -0.223 3.141 1.00 0.90 C ATOM 1934 CZ PHE B 20 -15.374 0.468 3.840 1.00 0.97 C ATOM 0 H PHE B 20 -10.433 -2.685 7.447 1.00 0.56 H new ATOM 0 HA PHE B 20 -13.348 -2.475 7.231 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -11.664 -0.590 6.658 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -11.256 -1.523 5.231 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -14.154 0.112 6.959 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -12.588 -1.336 3.258 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -16.041 1.125 5.758 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -14.478 -0.316 2.068 1.00 0.90 H new ATOM 0 HZ PHE B 20 -16.204 0.916 3.314 1.00 0.97 H new ATOM 1944 N PHE B 21 -11.780 -4.841 5.732 1.00 0.71 N ATOM 1945 CA PHE B 21 -11.937 -5.993 4.811 1.00 0.72 C ATOM 1946 C PHE B 21 -13.099 -6.929 5.225 1.00 0.68 C ATOM 1947 O PHE B 21 -13.453 -7.836 4.463 1.00 0.71 O ATOM 1948 CB PHE B 21 -10.606 -6.767 4.636 1.00 1.01 C ATOM 1949 CG PHE B 21 -9.847 -6.374 3.376 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -9.336 -5.085 3.227 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -9.663 -7.278 2.332 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -8.665 -4.716 2.079 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -8.995 -6.904 1.180 1.00 2.92 C ATOM 1954 CZ PHE B 21 -8.497 -5.623 1.055 1.00 3.08 C ATOM 0 H PHE B 21 -10.994 -4.919 6.377 1.00 0.71 H new ATOM 0 HA PHE B 21 -12.206 -5.582 3.838 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -9.972 -6.589 5.505 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -10.816 -7.836 4.608 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -9.467 -4.365 4.021 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -10.047 -8.283 2.423 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -8.271 -3.715 1.983 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -8.863 -7.615 0.378 1.00 2.92 H new ATOM 0 HZ PHE B 21 -7.976 -5.331 0.155 1.00 3.08 H new ATOM 1964 N THR B 22 -13.689 -6.711 6.426 1.00 0.76 N ATOM 1965 CA THR B 22 -14.858 -7.492 6.884 1.00 0.91 C ATOM 1966 C THR B 22 -16.100 -7.092 6.049 1.00 0.84 C ATOM 1967 O THR B 22 -16.964 -7.928 5.769 1.00 1.01 O ATOM 1968 CB THR B 22 -15.154 -7.262 8.401 1.00 1.10 C ATOM 1969 OG1 THR B 22 -13.946 -7.391 9.175 1.00 1.23 O ATOM 1970 CG2 THR B 22 -16.205 -8.241 8.940 1.00 1.37 C ATOM 0 H THR B 22 -13.374 -6.004 7.090 1.00 0.76 H new ATOM 0 HA THR B 22 -14.631 -8.549 6.746 1.00 0.91 H new ATOM 0 HB THR B 22 -15.550 -6.251 8.496 1.00 1.10 H new ATOM 0 HG1 THR B 22 -14.147 -7.243 10.123 1.00 1.23 H new ATOM 0 HG21 THR B 22 -16.378 -8.043 9.998 1.00 1.37 H new ATOM 0 HG22 THR B 22 -17.137 -8.113 8.390 1.00 1.37 H new ATOM 0 HG23 THR B 22 -15.848 -9.263 8.816 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.164 -5.793 5.672 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.256 -5.236 4.855 1.00 0.75 C ATOM 1980 C PHE B 23 -16.931 -5.348 3.353 1.00 0.70 C ATOM 1981 O PHE B 23 -17.843 -5.483 2.532 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.503 -3.752 5.216 1.00 0.84 C ATOM 1983 CG PHE B 23 -17.795 -3.502 6.685 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -16.757 -3.307 7.589 1.00 1.03 C ATOM 1985 CD2 PHE B 23 -19.103 -3.463 7.159 1.00 1.32 C ATOM 1986 CE1 PHE B 23 -17.017 -3.081 8.926 1.00 1.27 C ATOM 1987 CE2 PHE B 23 -19.364 -3.238 8.496 1.00 1.54 C ATOM 1988 CZ PHE B 23 -18.322 -3.048 9.378 1.00 1.48 C ATOM 0 H PHE B 23 -15.456 -5.105 5.929 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.156 -5.813 5.067 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -16.627 -3.171 4.929 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -18.340 -3.382 4.624 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -15.735 -3.333 7.241 1.00 1.03 H new ATOM 0 HD2 PHE B 23 -19.924 -3.611 6.473 1.00 1.32 H new ATOM 0 HE1 PHE B 23 -16.201 -2.930 9.618 1.00 1.27 H new ATOM 0 HE2 PHE B 23 -20.384 -3.211 8.850 1.00 1.54 H new ATOM 0 HZ PHE B 23 -18.526 -2.873 10.424 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.621 -5.283 2.999 1.00 0.61 N ATOM 1999 CA ALA B 24 -15.162 -5.376 1.592 1.00 0.67 C ATOM 2000 C ALA B 24 -15.529 -6.716 0.922 1.00 0.65 C ATOM 2001 O ALA B 24 -15.706 -6.766 -0.298 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.653 -5.144 1.504 1.00 0.77 C ATOM 0 H ALA B 24 -14.864 -5.166 3.672 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.688 -4.593 1.045 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.334 -5.216 0.464 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.414 -4.153 1.889 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.134 -5.898 2.096 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.645 -7.803 1.722 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.003 -9.138 1.192 1.00 0.68 C ATOM 2010 C ARG B 25 -17.540 -9.326 1.029 1.00 0.70 C ATOM 2011 O ARG B 25 -17.995 -10.437 0.729 1.00 0.87 O ATOM 2012 CB ARG B 25 -15.403 -10.258 2.076 1.00 0.77 C ATOM 2013 CG ARG B 25 -15.842 -10.249 3.546 1.00 0.80 C ATOM 2014 CD ARG B 25 -15.403 -11.517 4.276 1.00 1.01 C ATOM 2015 NE ARG B 25 -15.765 -11.492 5.707 1.00 1.10 N ATOM 2016 CZ ARG B 25 -16.292 -12.526 6.409 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -16.585 -13.705 5.834 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -16.529 -12.374 7.715 1.00 1.48 N ATOM 0 H ARG B 25 -15.497 -7.781 2.731 1.00 0.62 H new ATOM 0 HA ARG B 25 -15.570 -9.208 0.194 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -15.670 -11.221 1.642 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -14.316 -10.182 2.039 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -15.420 -9.377 4.046 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -16.927 -10.155 3.601 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -15.863 -12.384 3.802 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -14.324 -11.635 4.178 1.00 1.01 H new ATOM 0 HE ARG B 25 -15.605 -10.621 6.212 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -16.412 -13.844 4.838 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -16.981 -14.461 6.393 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -16.314 -11.488 8.173 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -16.925 -13.144 8.254 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.333 -8.242 1.213 1.00 0.71 N ATOM 2033 CA GLN B 26 -19.801 -8.293 1.064 1.00 0.79 C ATOM 2034 C GLN B 26 -20.202 -8.258 -0.427 1.00 0.73 C ATOM 2035 O GLN B 26 -21.181 -8.901 -0.822 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.454 -7.117 1.830 1.00 0.90 C ATOM 2037 CG GLN B 26 -21.976 -7.216 1.983 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.564 -6.094 2.837 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -22.934 -5.042 2.317 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -22.655 -6.311 4.152 1.00 1.68 N ATOM 0 H GLN B 26 -17.975 -7.321 1.466 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.160 -9.231 1.488 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -20.006 -7.055 2.822 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.215 -6.188 1.313 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.437 -7.193 0.996 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.229 -8.177 2.431 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -22.337 -7.197 4.546 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -23.042 -5.591 4.762 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.431 -7.502 -1.244 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.680 -7.376 -2.694 1.00 0.71 C ATOM 2051 C GLU B 27 -18.778 -8.361 -3.481 1.00 0.88 C ATOM 2052 O GLU B 27 -18.168 -9.250 -2.873 1.00 1.45 O ATOM 2053 CB GLU B 27 -19.440 -5.908 -3.140 1.00 0.83 C ATOM 2054 CG GLU B 27 -20.310 -4.868 -2.424 1.00 0.93 C ATOM 2055 CD GLU B 27 -21.798 -5.026 -2.696 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -22.286 -4.457 -3.694 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -22.476 -5.721 -1.908 1.00 1.16 O ATOM 0 H GLU B 27 -18.626 -6.968 -0.917 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.717 -7.633 -2.908 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -18.392 -5.660 -2.975 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -19.620 -5.835 -4.213 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -20.136 -4.939 -1.350 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -19.997 -3.871 -2.733 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.712 -8.212 -4.831 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.892 -9.090 -5.686 1.00 0.86 C ATOM 2066 C GLY B 28 -16.449 -9.263 -5.211 1.00 0.69 C ATOM 2067 O GLY B 28 -15.795 -8.281 -4.847 1.00 0.66 O ATOM 0 H GLY B 28 -19.219 -7.490 -5.343 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.365 -10.071 -5.738 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.883 -8.686 -6.698 1.00 0.86 H new ATOM 2071 N ARG B 29 -15.956 -10.528 -5.230 1.00 0.68 N ATOM 2072 CA ARG B 29 -14.584 -10.893 -4.800 1.00 0.65 C ATOM 2073 C ARG B 29 -14.345 -10.599 -3.305 1.00 0.62 C ATOM 2074 O ARG B 29 -14.647 -9.505 -2.816 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.495 -10.216 -5.685 1.00 0.66 C ATOM 2076 CG ARG B 29 -12.924 -11.116 -6.792 1.00 0.84 C ATOM 2077 CD ARG B 29 -13.957 -11.488 -7.862 1.00 1.28 C ATOM 2078 NE ARG B 29 -13.405 -12.407 -8.879 1.00 1.44 N ATOM 2079 CZ ARG B 29 -13.957 -12.654 -10.088 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -15.129 -12.109 -10.447 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -13.336 -13.473 -10.940 1.00 2.09 N ATOM 0 H ARG B 29 -16.504 -11.328 -5.547 1.00 0.68 H new ATOM 0 HA ARG B 29 -14.496 -11.971 -4.938 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.921 -9.323 -6.143 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.677 -9.886 -5.044 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -12.085 -10.608 -7.268 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -12.531 -12.028 -6.343 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -14.819 -11.953 -7.385 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -14.314 -10.581 -8.350 1.00 1.28 H new ATOM 0 HE ARG B 29 -12.538 -12.894 -8.651 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -15.624 -11.493 -9.802 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -15.525 -12.311 -11.365 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -12.451 -13.907 -10.677 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -13.746 -13.664 -11.854 1.00 2.09 H new ATOM 2095 N LYS B 30 -13.791 -11.595 -2.590 1.00 0.64 N ATOM 2096 CA LYS B 30 -13.499 -11.479 -1.147 1.00 0.65 C ATOM 2097 C LYS B 30 -12.316 -10.531 -0.882 1.00 0.63 C ATOM 2098 O LYS B 30 -12.332 -9.773 0.094 1.00 0.67 O ATOM 2099 CB LYS B 30 -13.199 -12.865 -0.537 1.00 0.73 C ATOM 2100 CG LYS B 30 -14.343 -13.881 -0.646 1.00 0.79 C ATOM 2101 CD LYS B 30 -15.547 -13.513 0.231 1.00 0.87 C ATOM 2102 CE LYS B 30 -16.599 -14.622 0.260 1.00 1.01 C ATOM 2103 NZ LYS B 30 -17.257 -14.828 -1.068 1.00 1.11 N ATOM 0 H LYS B 30 -13.534 -12.497 -2.991 1.00 0.64 H new ATOM 0 HA LYS B 30 -14.386 -11.061 -0.672 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -12.318 -13.278 -1.027 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -12.947 -12.736 0.515 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -14.664 -13.951 -1.685 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -13.977 -14.867 -0.358 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -15.207 -13.310 1.246 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -16.000 -12.594 -0.143 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -16.130 -15.554 0.577 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -17.358 -14.378 1.003 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -17.961 -15.590 -0.992 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -17.729 -13.949 -1.362 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -16.539 -15.088 -1.774 1.00 1.11 H new ATOM 2117 N ASP B 31 -11.293 -10.586 -1.759 1.00 0.65 N ATOM 2118 CA ASP B 31 -10.095 -9.734 -1.650 1.00 0.69 C ATOM 2119 C ASP B 31 -10.223 -8.524 -2.598 1.00 0.64 C ATOM 2120 O ASP B 31 -9.337 -8.266 -3.423 1.00 0.88 O ATOM 2121 CB ASP B 31 -8.832 -10.564 -1.976 1.00 0.83 C ATOM 2122 CG ASP B 31 -8.601 -11.707 -0.994 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.035 -11.456 0.092 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -8.989 -12.851 -1.313 1.00 1.24 O ATOM 0 H ASP B 31 -11.275 -11.219 -2.558 1.00 0.65 H new ATOM 0 HA ASP B 31 -10.006 -9.359 -0.630 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -8.921 -10.970 -2.984 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -7.962 -9.908 -1.973 1.00 0.83 H new ATOM 2129 N SER B 32 -11.342 -7.776 -2.465 1.00 0.65 N ATOM 2130 CA SER B 32 -11.613 -6.607 -3.319 1.00 0.59 C ATOM 2131 C SER B 32 -12.637 -5.649 -2.683 1.00 0.57 C ATOM 2132 O SER B 32 -13.604 -6.095 -2.060 1.00 0.64 O ATOM 2133 CB SER B 32 -12.125 -7.074 -4.693 1.00 0.59 C ATOM 2134 OG SER B 32 -12.353 -5.979 -5.563 1.00 1.13 O ATOM 0 H SER B 32 -12.068 -7.964 -1.774 1.00 0.65 H new ATOM 0 HA SER B 32 -10.677 -6.061 -3.434 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.398 -7.751 -5.142 1.00 0.59 H new ATOM 0 HB3 SER B 32 -13.050 -7.637 -4.566 1.00 0.59 H new ATOM 0 HG SER B 32 -11.912 -6.146 -6.422 1.00 1.13 H new ATOM 2140 N LEU B 33 -12.415 -4.329 -2.860 1.00 0.55 N ATOM 2141 CA LEU B 33 -13.314 -3.289 -2.332 1.00 0.56 C ATOM 2142 C LEU B 33 -14.283 -2.824 -3.434 1.00 0.55 C ATOM 2143 O LEU B 33 -13.957 -2.908 -4.623 1.00 0.72 O ATOM 2144 CB LEU B 33 -12.511 -2.075 -1.803 1.00 0.59 C ATOM 2145 CG LEU B 33 -11.689 -2.298 -0.507 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -10.370 -3.031 -0.791 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -11.426 -0.964 0.201 1.00 0.75 C ATOM 0 H LEU B 33 -11.612 -3.960 -3.370 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.878 -3.718 -1.504 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.828 -1.750 -2.588 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -13.208 -1.256 -1.628 1.00 0.59 H new ATOM 0 HG LEU B 33 -12.281 -2.932 0.153 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -9.822 -3.169 0.141 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.583 -4.004 -1.234 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.768 -2.441 -1.482 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -10.848 -1.141 1.108 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -10.867 -0.304 -0.462 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -12.376 -0.497 0.461 1.00 0.75 H new ATOM 2159 N SER B 34 -15.473 -2.330 -3.033 1.00 0.52 N ATOM 2160 CA SER B 34 -16.486 -1.837 -3.988 1.00 0.53 C ATOM 2161 C SER B 34 -16.228 -0.363 -4.337 1.00 0.50 C ATOM 2162 O SER B 34 -15.555 0.348 -3.584 1.00 0.52 O ATOM 2163 CB SER B 34 -17.904 -2.012 -3.411 1.00 0.62 C ATOM 2164 OG SER B 34 -18.902 -1.670 -4.364 1.00 0.69 O ATOM 0 H SER B 34 -15.755 -2.262 -2.055 1.00 0.52 H new ATOM 0 HA SER B 34 -16.410 -2.426 -4.902 1.00 0.53 H new ATOM 0 HB2 SER B 34 -18.043 -3.045 -3.092 1.00 0.62 H new ATOM 0 HB3 SER B 34 -18.017 -1.387 -2.525 1.00 0.62 H new ATOM 0 HG SER B 34 -19.789 -1.794 -3.967 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.778 0.095 -5.480 1.00 0.52 N ATOM 2171 CA VAL B 35 -16.604 1.490 -5.950 1.00 0.53 C ATOM 2172 C VAL B 35 -17.211 2.535 -4.972 1.00 0.48 C ATOM 2173 O VAL B 35 -16.765 3.686 -4.950 1.00 0.52 O ATOM 2174 CB VAL B 35 -17.179 1.679 -7.399 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -18.712 1.592 -7.439 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -16.681 2.984 -8.036 1.00 0.71 C ATOM 0 H VAL B 35 -17.349 -0.481 -6.098 1.00 0.52 H new ATOM 0 HA VAL B 35 -15.530 1.673 -5.979 1.00 0.53 H new ATOM 0 HB VAL B 35 -16.799 0.848 -7.994 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -19.058 1.729 -8.464 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -19.031 0.615 -7.077 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -19.137 2.370 -6.805 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -17.099 3.082 -9.038 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.998 3.830 -7.426 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -15.593 2.967 -8.096 1.00 0.71 H new ATOM 2186 N ASN B 36 -18.228 2.129 -4.179 1.00 0.47 N ATOM 2187 CA ASN B 36 -18.879 3.020 -3.202 1.00 0.48 C ATOM 2188 C ASN B 36 -18.265 2.859 -1.791 1.00 0.46 C ATOM 2189 O ASN B 36 -18.206 3.829 -1.034 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.401 2.743 -3.161 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.212 3.862 -2.498 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -20.838 5.036 -2.559 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -22.332 3.506 -1.867 1.00 0.79 N ATOM 0 H ASN B 36 -18.614 1.185 -4.200 1.00 0.47 H new ATOM 0 HA ASN B 36 -18.711 4.049 -3.521 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.763 2.598 -4.179 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.578 1.811 -2.624 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -22.910 4.215 -1.415 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -22.611 2.525 -1.837 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.803 1.634 -1.446 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.208 1.352 -0.118 1.00 0.50 C ATOM 2202 C GLU B 37 -15.854 2.063 0.093 1.00 0.45 C ATOM 2203 O GLU B 37 -15.625 2.626 1.169 1.00 0.46 O ATOM 2204 CB GLU B 37 -17.038 -0.164 0.098 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.357 -0.913 0.280 1.00 0.69 C ATOM 2206 CD GLU B 37 -18.161 -2.400 0.535 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -17.913 -2.778 1.700 1.00 1.61 O ATOM 2208 OE2 GLU B 37 -18.258 -3.187 -0.431 1.00 1.28 O ATOM 0 H GLU B 37 -17.831 0.826 -2.068 1.00 0.46 H new ATOM 0 HA GLU B 37 -17.906 1.749 0.619 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.506 -0.586 -0.755 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -16.413 -0.329 0.976 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -18.906 -0.475 1.114 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -18.971 -0.780 -0.611 1.00 0.69 H new ATOM 2215 N PHE B 38 -14.963 2.041 -0.925 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.632 2.687 -0.807 1.00 0.43 C ATOM 2217 C PHE B 38 -13.748 4.217 -0.613 1.00 0.39 C ATOM 2218 O PHE B 38 -12.943 4.808 0.111 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.707 2.314 -2.003 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.707 3.266 -3.192 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.683 3.184 -4.178 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -11.718 4.236 -3.323 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.670 4.043 -5.262 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -11.705 5.095 -4.405 1.00 0.65 C ATOM 2225 CZ PHE B 38 -12.682 4.998 -5.375 1.00 0.66 C ATOM 0 H PHE B 38 -15.136 1.591 -1.824 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.161 2.295 0.094 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.686 2.235 -1.631 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -12.994 1.325 -2.359 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.462 2.440 -4.097 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -10.950 4.319 -2.568 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -14.435 3.966 -6.021 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -10.930 5.842 -4.492 1.00 0.65 H new ATOM 0 HZ PHE B 38 -12.673 5.669 -6.221 1.00 0.66 H new ATOM 2235 N LYS B 39 -14.761 4.847 -1.255 1.00 0.37 N ATOM 2236 CA LYS B 39 -14.986 6.303 -1.128 1.00 0.38 C ATOM 2237 C LYS B 39 -15.510 6.663 0.281 1.00 0.36 C ATOM 2238 O LYS B 39 -15.153 7.718 0.816 1.00 0.39 O ATOM 2239 CB LYS B 39 -15.958 6.808 -2.221 1.00 0.43 C ATOM 2240 CG LYS B 39 -15.994 8.335 -2.367 1.00 0.50 C ATOM 2241 CD LYS B 39 -16.750 8.777 -3.624 1.00 0.60 C ATOM 2242 CE LYS B 39 -16.897 10.296 -3.709 1.00 0.70 C ATOM 2243 NZ LYS B 39 -15.590 11.001 -3.899 1.00 0.81 N ATOM 0 H LYS B 39 -15.430 4.372 -1.861 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.028 6.803 -1.268 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -15.673 6.369 -3.177 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -16.962 6.451 -1.993 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -16.468 8.772 -1.488 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -14.975 8.719 -2.404 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -16.224 8.415 -4.508 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -17.738 8.318 -3.631 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -17.562 10.545 -4.536 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -17.371 10.661 -2.798 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -15.753 12.027 -3.949 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -14.962 10.789 -3.098 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -15.146 10.677 -4.782 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.357 5.787 0.873 1.00 0.35 N ATOM 2258 CA GLU B 40 -16.898 6.003 2.238 1.00 0.38 C ATOM 2259 C GLU B 40 -15.786 5.856 3.289 1.00 0.38 C ATOM 2260 O GLU B 40 -15.801 6.550 4.308 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.031 5.011 2.558 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.316 5.253 1.776 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.377 4.198 2.052 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -20.212 3.052 1.580 1.00 0.63 O ATOM 2265 OE2 GLU B 40 -21.367 4.517 2.743 1.00 0.69 O ATOM 0 H GLU B 40 -16.680 4.927 0.429 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.300 7.015 2.270 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -17.681 3.999 2.354 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.253 5.063 3.624 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.712 6.236 2.030 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.091 5.266 0.710 1.00 0.47 H new ATOM 2272 N LEU B 41 -14.829 4.934 3.033 1.00 0.37 N ATOM 2273 CA LEU B 41 -13.687 4.700 3.936 1.00 0.40 C ATOM 2274 C LEU B 41 -12.793 5.954 4.027 1.00 0.38 C ATOM 2275 O LEU B 41 -12.275 6.266 5.102 1.00 0.40 O ATOM 2276 CB LEU B 41 -12.870 3.471 3.460 1.00 0.44 C ATOM 2277 CG LEU B 41 -11.546 3.171 4.214 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -11.798 2.898 5.699 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -10.813 1.994 3.566 1.00 0.64 C ATOM 0 H LEU B 41 -14.829 4.340 2.204 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.072 4.492 4.934 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.509 2.591 3.533 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.635 3.608 2.404 1.00 0.44 H new ATOM 0 HG LEU B 41 -10.914 4.056 4.142 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -10.851 2.692 6.197 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -12.265 3.771 6.155 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -12.458 2.037 5.804 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -9.888 1.799 4.108 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.447 1.108 3.599 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.582 2.236 2.529 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.632 6.670 2.892 1.00 0.37 N ATOM 2292 CA VAL B 42 -11.815 7.893 2.840 1.00 0.38 C ATOM 2293 C VAL B 42 -12.559 9.110 3.458 1.00 0.39 C ATOM 2294 O VAL B 42 -11.907 10.021 3.975 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.360 8.217 1.371 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.601 9.550 1.282 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.499 7.081 0.799 1.00 0.47 C ATOM 0 H VAL B 42 -13.060 6.418 2.001 1.00 0.37 H new ATOM 0 HA VAL B 42 -10.925 7.704 3.440 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.267 8.310 0.773 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.306 9.733 0.249 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.246 10.359 1.624 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -9.712 9.505 1.910 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.197 7.330 -0.218 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -9.612 6.949 1.419 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.076 6.156 0.790 1.00 0.47 H new ATOM 2307 N THR B 43 -13.914 9.118 3.410 1.00 0.38 N ATOM 2308 CA THR B 43 -14.715 10.237 3.962 1.00 0.42 C ATOM 2309 C THR B 43 -15.357 9.893 5.335 1.00 0.48 C ATOM 2310 O THR B 43 -16.354 10.514 5.726 1.00 0.83 O ATOM 2311 CB THR B 43 -15.825 10.678 2.949 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.353 10.519 1.604 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.237 12.139 3.156 1.00 0.49 C ATOM 0 H THR B 43 -14.470 8.369 2.998 1.00 0.38 H new ATOM 0 HA THR B 43 -14.023 11.063 4.124 1.00 0.42 H new ATOM 0 HB THR B 43 -16.694 10.044 3.125 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.346 9.567 1.370 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.009 12.405 2.434 1.00 0.49 H new ATOM 0 HG22 THR B 43 -16.626 12.268 4.166 1.00 0.49 H new ATOM 0 HG23 THR B 43 -15.370 12.785 3.016 1.00 0.49 H new ATOM 2321 N GLN B 44 -14.778 8.920 6.082 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.313 8.530 7.404 1.00 0.44 C ATOM 2323 C GLN B 44 -14.193 8.112 8.384 1.00 0.44 C ATOM 2324 O GLN B 44 -14.074 8.696 9.467 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.352 7.393 7.250 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.247 7.195 8.474 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.337 6.155 8.253 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.429 6.482 7.787 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.048 4.892 8.575 1.00 0.98 N ATOM 0 H GLN B 44 -13.950 8.398 5.793 1.00 0.42 H new ATOM 0 HA GLN B 44 -15.804 9.406 7.829 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -16.980 7.604 6.384 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -15.827 6.461 7.043 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.632 6.894 9.322 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -17.709 8.147 8.737 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -17.132 4.660 8.959 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -18.743 4.159 8.437 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.370 7.114 7.992 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.278 6.595 8.849 1.00 0.43 C ATOM 2340 C GLN B 45 -10.872 7.017 8.365 1.00 0.41 C ATOM 2341 O GLN B 45 -9.891 6.781 9.078 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.375 5.057 8.936 1.00 0.47 C ATOM 2343 CG GLN B 45 -11.739 4.447 10.191 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.158 2.994 10.437 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.425 2.243 9.494 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.229 2.585 11.706 1.00 0.73 N ATOM 0 H GLN B 45 -13.441 6.650 7.086 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.408 7.037 9.837 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.426 4.770 8.901 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -11.897 4.626 8.056 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -10.654 4.495 10.100 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.013 5.049 11.058 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -12.002 3.230 12.463 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -12.510 1.628 11.918 1.00 0.73 H new ATOM 2355 N LEU B 46 -10.762 7.633 7.164 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.462 8.079 6.625 1.00 0.38 C ATOM 2357 C LEU B 46 -9.562 9.496 5.976 1.00 0.38 C ATOM 2358 O LEU B 46 -9.048 9.704 4.870 1.00 0.41 O ATOM 2359 CB LEU B 46 -8.950 7.016 5.616 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.419 7.002 5.350 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -6.772 5.723 5.901 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.112 7.156 3.857 1.00 0.62 C ATOM 0 H LEU B 46 -11.556 7.830 6.555 1.00 0.39 H new ATOM 0 HA LEU B 46 -8.746 8.172 7.441 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.244 6.031 5.978 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.461 7.172 4.666 1.00 0.40 H new ATOM 0 HG LEU B 46 -6.990 7.856 5.875 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -5.701 5.741 5.700 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -6.939 5.665 6.977 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.217 4.853 5.418 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.033 7.142 3.704 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.567 6.333 3.305 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.517 8.102 3.498 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.210 10.507 6.661 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.354 11.881 6.115 1.00 0.42 C ATOM 2376 C PRO B 47 -9.091 12.765 6.261 1.00 0.42 C ATOM 2377 O PRO B 47 -8.804 13.570 5.370 1.00 0.46 O ATOM 2378 CB PRO B 47 -11.522 12.448 6.934 1.00 0.48 C ATOM 2379 CG PRO B 47 -11.412 11.780 8.262 1.00 0.48 C ATOM 2380 CD PRO B 47 -10.873 10.398 7.995 1.00 0.44 C ATOM 0 HA PRO B 47 -10.518 11.864 5.038 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -11.450 13.532 7.029 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.480 12.232 6.460 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -10.747 12.336 8.923 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -12.383 11.731 8.754 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.166 10.092 8.766 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -11.671 9.656 7.982 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.347 12.620 7.382 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.125 13.426 7.637 1.00 0.44 C ATOM 2390 C HIS B 48 -5.995 13.099 6.647 1.00 0.43 C ATOM 2391 O HIS B 48 -5.286 14.008 6.197 1.00 0.49 O ATOM 2392 CB HIS B 48 -6.605 13.206 9.071 1.00 0.49 C ATOM 2393 CG HIS B 48 -7.385 13.921 10.128 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -8.319 13.294 10.926 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -7.356 15.213 10.525 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -8.830 14.175 11.769 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -8.262 15.345 11.544 1.00 0.81 N ATOM 0 H HIS B 48 -8.569 11.955 8.123 1.00 0.42 H new ATOM 0 HA HIS B 48 -7.415 14.468 7.504 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -6.616 12.138 9.288 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -5.566 13.531 9.121 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -6.734 15.995 10.115 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -9.584 13.972 12.515 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -8.465 16.208 12.048 1.00 0.81 H new ATOM 2406 N LEU B 49 -5.826 11.802 6.325 1.00 0.41 N ATOM 2407 CA LEU B 49 -4.777 11.345 5.392 1.00 0.42 C ATOM 2408 C LEU B 49 -4.981 11.951 3.988 1.00 0.40 C ATOM 2409 O LEU B 49 -4.133 12.718 3.518 1.00 0.48 O ATOM 2410 CB LEU B 49 -4.747 9.796 5.324 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.361 9.142 5.499 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.925 9.151 6.969 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.379 7.724 4.943 1.00 0.62 C ATOM 0 H LEU B 49 -6.405 11.050 6.699 1.00 0.41 H new ATOM 0 HA LEU B 49 -3.815 11.692 5.768 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -5.412 9.405 6.094 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.155 9.486 4.362 1.00 0.43 H new ATOM 0 HG LEU B 49 -2.631 9.726 4.939 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.945 8.683 7.061 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.871 10.179 7.326 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -3.649 8.597 7.567 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.396 7.270 5.071 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -4.124 7.133 5.477 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -3.630 7.752 3.883 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.114 11.613 3.337 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.439 12.141 2.005 1.00 0.41 C ATOM 2427 C LEU B 50 -7.288 13.411 2.156 1.00 0.45 C ATOM 2428 O LEU B 50 -8.524 13.348 2.159 1.00 0.52 O ATOM 2429 CB LEU B 50 -7.177 11.084 1.142 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.390 9.797 0.793 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.279 8.813 0.027 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -5.126 10.114 -0.015 1.00 0.70 C ATOM 0 H LEU B 50 -6.815 10.977 3.716 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.511 12.386 1.489 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -8.088 10.794 1.665 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -7.482 11.559 0.210 1.00 0.44 H new ATOM 0 HG LEU B 50 -6.081 9.335 1.730 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.708 7.915 -0.209 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.139 8.545 0.641 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.624 9.277 -0.897 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.598 9.188 -0.243 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -5.403 10.611 -0.944 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.477 10.768 0.567 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.602 14.563 2.310 1.00 0.50 N ATOM 2445 CA LYS B 51 -7.257 15.882 2.479 1.00 0.58 C ATOM 2446 C LYS B 51 -8.344 16.159 1.410 1.00 0.53 C ATOM 2447 O LYS B 51 -9.389 16.729 1.739 1.00 0.61 O ATOM 2448 CB LYS B 51 -6.208 17.019 2.496 1.00 0.68 C ATOM 2449 CG LYS B 51 -5.306 17.086 1.258 1.00 0.72 C ATOM 2450 CD LYS B 51 -4.473 18.364 1.231 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.777 18.582 -0.115 1.00 1.03 C ATOM 2452 NZ LYS B 51 -4.744 18.837 -1.226 1.00 1.23 N ATOM 0 H LYS B 51 -5.583 14.608 2.321 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.766 15.853 3.443 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -6.728 17.971 2.600 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -5.580 16.900 3.379 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -4.644 16.220 1.244 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.919 17.033 0.358 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -5.116 19.217 1.446 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -3.724 18.322 2.021 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -3.092 19.426 -0.033 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -3.176 17.705 -0.355 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -4.229 19.176 -2.063 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -5.244 17.956 -1.460 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -5.433 19.557 -0.928 1.00 1.23 H new ATOM 2466 N ASP B 52 -8.101 15.749 0.142 1.00 0.48 N ATOM 2467 CA ASP B 52 -9.080 15.947 -0.949 1.00 0.54 C ATOM 2468 C ASP B 52 -10.109 14.794 -0.977 1.00 0.48 C ATOM 2469 O ASP B 52 -10.070 13.928 -1.860 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.371 16.086 -2.327 1.00 0.69 C ATOM 2471 CG ASP B 52 -8.037 17.525 -2.697 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -8.979 18.313 -2.928 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -6.837 17.857 -2.770 1.00 1.94 O ATOM 0 H ASP B 52 -7.241 15.283 -0.147 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.612 16.878 -0.753 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -7.452 15.500 -2.314 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -9.010 15.660 -3.100 1.00 0.69 H new ATOM 2478 N VAL B 53 -11.024 14.781 0.016 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.079 13.743 0.107 1.00 0.45 C ATOM 2480 C VAL B 53 -13.123 13.885 -1.028 1.00 0.46 C ATOM 2481 O VAL B 53 -13.665 12.879 -1.497 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.798 13.722 1.503 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.823 13.304 2.604 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.453 15.071 1.845 1.00 0.58 C ATOM 0 H VAL B 53 -11.055 15.474 0.764 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.564 12.789 -0.009 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.598 12.985 1.439 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -12.340 13.295 3.564 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.438 12.307 2.390 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -10.995 14.011 2.644 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -13.936 15.004 2.820 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -12.691 15.849 1.871 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -14.197 15.317 1.087 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.400 15.138 -1.455 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.342 15.394 -2.549 1.00 0.51 C ATOM 2496 C GLY B 54 -13.735 15.071 -3.915 1.00 0.51 C ATOM 2497 O GLY B 54 -14.394 14.449 -4.755 1.00 0.67 O ATOM 0 H GLY B 54 -12.983 15.979 -1.056 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.241 14.795 -2.401 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -14.648 16.440 -2.526 1.00 0.51 H new ATOM 2501 N SER B 55 -12.468 15.504 -4.135 1.00 0.51 N ATOM 2502 CA SER B 55 -11.746 15.231 -5.391 1.00 0.57 C ATOM 2503 C SER B 55 -11.055 13.859 -5.291 1.00 0.52 C ATOM 2504 O SER B 55 -9.865 13.768 -4.966 1.00 0.63 O ATOM 2505 CB SER B 55 -10.727 16.352 -5.704 1.00 0.74 C ATOM 2506 OG SER B 55 -9.946 16.039 -6.851 1.00 0.92 O ATOM 0 H SER B 55 -11.931 16.043 -3.456 1.00 0.51 H new ATOM 0 HA SER B 55 -12.459 15.210 -6.215 1.00 0.57 H new ATOM 0 HB2 SER B 55 -11.256 17.291 -5.867 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.072 16.500 -4.845 1.00 0.74 H new ATOM 0 HG SER B 55 -9.313 16.767 -7.024 1.00 0.92 H new ATOM 2512 N LEU B 56 -11.838 12.797 -5.552 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.357 11.405 -5.485 1.00 0.47 C ATOM 2514 C LEU B 56 -11.416 10.703 -6.869 1.00 0.48 C ATOM 2515 O LEU B 56 -11.106 9.509 -6.962 1.00 0.81 O ATOM 2516 CB LEU B 56 -12.208 10.626 -4.436 1.00 0.58 C ATOM 2517 CG LEU B 56 -11.443 9.907 -3.294 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -10.515 8.817 -3.837 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -10.672 10.910 -2.422 1.00 1.24 C ATOM 0 H LEU B 56 -12.820 12.879 -5.815 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.310 11.414 -5.181 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -12.910 11.326 -3.983 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.800 9.881 -4.968 1.00 0.58 H new ATOM 0 HG LEU B 56 -12.185 9.419 -2.662 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -9.996 8.335 -3.008 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -11.103 8.075 -4.378 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -9.785 9.264 -4.512 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -10.146 10.375 -1.631 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -9.951 11.448 -3.037 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -11.371 11.619 -1.978 1.00 1.24 H new ATOM 2531 N ASP B 57 -11.787 11.446 -7.944 1.00 0.48 N ATOM 2532 CA ASP B 57 -11.889 10.871 -9.307 1.00 0.49 C ATOM 2533 C ASP B 57 -10.501 10.591 -9.934 1.00 0.44 C ATOM 2534 O ASP B 57 -10.368 9.653 -10.724 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.740 11.776 -10.231 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.140 13.158 -10.465 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -12.235 14.008 -9.554 1.00 0.73 O ATOM 2538 OD2 ASP B 57 -11.575 13.386 -11.557 1.00 0.69 O ATOM 0 H ASP B 57 -12.019 12.438 -7.892 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.393 9.910 -9.207 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.868 11.279 -11.192 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.733 11.891 -9.797 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.479 11.406 -9.578 1.00 0.45 N ATOM 2544 CA GLU B 58 -8.102 11.219 -10.094 1.00 0.50 C ATOM 2545 C GLU B 58 -7.549 9.831 -9.694 1.00 0.47 C ATOM 2546 O GLU B 58 -6.909 9.158 -10.508 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.178 12.344 -9.578 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.827 12.431 -10.290 1.00 0.73 C ATOM 2549 CD GLU B 58 -4.984 13.602 -9.818 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -4.315 13.471 -8.772 1.00 1.06 O ATOM 2551 OE2 GLU B 58 -4.993 14.650 -10.497 1.00 1.10 O ATOM 0 H GLU B 58 -9.581 12.195 -8.939 1.00 0.45 H new ATOM 0 HA GLU B 58 -8.133 11.269 -11.182 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.693 13.298 -9.686 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.004 12.194 -8.512 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.276 11.505 -10.127 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -5.993 12.519 -11.364 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.813 9.413 -8.436 1.00 0.43 N ATOM 2559 CA LYS B 59 -7.374 8.098 -7.935 1.00 0.48 C ATOM 2560 C LYS B 59 -8.351 6.996 -8.387 1.00 0.54 C ATOM 2561 O LYS B 59 -7.911 5.901 -8.728 1.00 0.91 O ATOM 2562 CB LYS B 59 -7.234 8.100 -6.395 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.921 8.706 -5.882 1.00 0.59 C ATOM 2564 CD LYS B 59 -5.900 10.239 -5.973 1.00 0.79 C ATOM 2565 CE LYS B 59 -4.524 10.814 -5.643 1.00 1.19 C ATOM 2566 NZ LYS B 59 -4.494 12.308 -5.726 1.00 1.47 N ATOM 0 H LYS B 59 -8.327 9.969 -7.753 1.00 0.43 H new ATOM 0 HA LYS B 59 -6.391 7.890 -8.358 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -8.069 8.655 -5.967 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -7.313 7.075 -6.033 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.768 8.406 -4.846 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -5.089 8.301 -6.458 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.190 10.546 -6.978 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -6.640 10.653 -5.288 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -4.235 10.503 -4.639 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -3.786 10.400 -6.330 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -3.654 12.667 -5.228 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -4.456 12.600 -6.724 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -5.351 12.698 -5.284 1.00 1.47 H new ATOM 2580 N MET B 60 -9.677 7.298 -8.395 1.00 0.40 N ATOM 2581 CA MET B 60 -10.719 6.332 -8.834 1.00 0.43 C ATOM 2582 C MET B 60 -10.409 5.757 -10.236 1.00 0.45 C ATOM 2583 O MET B 60 -10.592 4.558 -10.464 1.00 0.49 O ATOM 2584 CB MET B 60 -12.114 7.000 -8.827 1.00 0.47 C ATOM 2585 CG MET B 60 -13.287 6.042 -9.069 1.00 0.55 C ATOM 2586 SD MET B 60 -14.878 6.887 -9.222 1.00 0.67 S ATOM 2587 CE MET B 60 -14.745 7.577 -10.872 1.00 0.81 C ATOM 0 H MET B 60 -10.049 8.202 -8.103 1.00 0.40 H new ATOM 0 HA MET B 60 -10.718 5.503 -8.126 1.00 0.43 H new ATOM 0 HB2 MET B 60 -12.260 7.495 -7.867 1.00 0.47 H new ATOM 0 HB3 MET B 60 -12.133 7.776 -9.592 1.00 0.47 H new ATOM 0 HG2 MET B 60 -13.098 5.469 -9.977 1.00 0.55 H new ATOM 0 HG3 MET B 60 -13.340 5.328 -8.247 1.00 0.55 H new ATOM 0 HE1 MET B 60 -15.708 7.990 -11.172 1.00 0.81 H new ATOM 0 HE2 MET B 60 -13.994 8.367 -10.877 1.00 0.81 H new ATOM 0 HE3 MET B 60 -14.452 6.794 -11.571 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.935 6.621 -11.164 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.574 6.193 -12.534 1.00 0.53 C ATOM 2599 C LYS B 61 -8.284 5.343 -12.530 1.00 0.48 C ATOM 2600 O LYS B 61 -8.190 4.362 -13.274 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.402 7.412 -13.468 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.715 8.082 -13.900 1.00 0.78 C ATOM 2603 CD LYS B 61 -11.533 7.249 -14.902 1.00 1.13 C ATOM 2604 CE LYS B 61 -10.817 7.068 -16.246 1.00 1.87 C ATOM 2605 NZ LYS B 61 -11.724 6.547 -17.312 1.00 2.39 N ATOM 0 H LYS B 61 -9.794 7.616 -10.989 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.392 5.579 -12.911 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -8.781 8.153 -12.965 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -8.861 7.095 -14.360 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.324 8.272 -13.016 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -10.489 9.051 -14.345 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -11.740 6.270 -14.470 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -12.495 7.733 -15.070 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -10.400 8.024 -16.563 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -9.980 6.382 -16.118 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -11.192 6.443 -18.200 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -12.103 5.622 -17.024 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -12.510 7.213 -17.455 1.00 2.39 H new ATOM 2619 N SER B 62 -7.292 5.735 -11.691 1.00 0.46 N ATOM 2620 CA SER B 62 -6.014 4.998 -11.571 1.00 0.47 C ATOM 2621 C SER B 62 -6.232 3.602 -10.947 1.00 0.44 C ATOM 2622 O SER B 62 -5.557 2.642 -11.332 1.00 0.50 O ATOM 2623 CB SER B 62 -4.989 5.795 -10.742 1.00 0.54 C ATOM 2624 OG SER B 62 -4.725 7.059 -11.332 1.00 0.63 O ATOM 0 H SER B 62 -7.355 6.556 -11.090 1.00 0.46 H new ATOM 0 HA SER B 62 -5.617 4.868 -12.578 1.00 0.47 H new ATOM 0 HB2 SER B 62 -5.366 5.935 -9.729 1.00 0.54 H new ATOM 0 HB3 SER B 62 -4.062 5.227 -10.661 1.00 0.54 H new ATOM 0 HG SER B 62 -5.410 7.701 -11.050 1.00 0.63 H new ATOM 2630 N LEU B 63 -7.182 3.502 -9.986 1.00 0.41 N ATOM 2631 CA LEU B 63 -7.516 2.226 -9.322 1.00 0.44 C ATOM 2632 C LEU B 63 -8.246 1.289 -10.302 1.00 0.47 C ATOM 2633 O LEU B 63 -7.778 0.179 -10.560 1.00 0.57 O ATOM 2634 CB LEU B 63 -8.393 2.464 -8.064 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.778 3.376 -6.971 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.862 3.979 -6.077 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.761 2.621 -6.125 1.00 0.69 C ATOM 0 H LEU B 63 -7.731 4.296 -9.655 1.00 0.41 H new ATOM 0 HA LEU B 63 -6.584 1.757 -9.006 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -9.340 2.900 -8.382 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -8.622 1.497 -7.616 1.00 0.45 H new ATOM 0 HG LEU B 63 -7.262 4.188 -7.484 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -8.399 4.613 -5.321 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -9.543 4.576 -6.683 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -9.418 3.179 -5.588 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -6.349 3.289 -5.369 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -7.249 1.777 -5.637 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.956 2.256 -6.763 1.00 0.69 H new ATOM 2649 N ASP B 64 -9.381 1.763 -10.865 1.00 0.47 N ATOM 2650 CA ASP B 64 -10.178 0.976 -11.826 1.00 0.55 C ATOM 2651 C ASP B 64 -9.623 1.170 -13.256 1.00 0.53 C ATOM 2652 O ASP B 64 -10.196 1.904 -14.070 1.00 0.60 O ATOM 2653 CB ASP B 64 -11.674 1.371 -11.735 1.00 0.66 C ATOM 2654 CG ASP B 64 -12.582 0.526 -12.620 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -12.868 -0.632 -12.245 1.00 1.27 O ATOM 2656 OD2 ASP B 64 -13.004 1.023 -13.687 1.00 1.32 O ATOM 0 H ASP B 64 -9.763 2.688 -10.668 1.00 0.47 H new ATOM 0 HA ASP B 64 -10.101 -0.082 -11.577 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -12.003 1.281 -10.700 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.782 2.419 -12.013 1.00 0.66 H new ATOM 2661 N VAL B 65 -8.486 0.500 -13.535 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.808 0.567 -14.846 1.00 0.56 C ATOM 2663 C VAL B 65 -8.227 -0.601 -15.771 1.00 0.56 C ATOM 2664 O VAL B 65 -8.217 -0.445 -16.994 1.00 0.61 O ATOM 2665 CB VAL B 65 -6.246 0.628 -14.684 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -5.668 -0.631 -14.017 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -5.552 0.906 -16.028 1.00 0.72 C ATOM 0 H VAL B 65 -8.013 -0.101 -12.860 1.00 0.53 H new ATOM 0 HA VAL B 65 -8.129 1.493 -15.324 1.00 0.56 H new ATOM 0 HB VAL B 65 -6.040 1.463 -14.014 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -4.586 -0.533 -13.931 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -6.102 -0.748 -13.024 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.906 -1.505 -14.622 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -4.473 0.942 -15.880 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.795 0.112 -16.734 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -5.896 1.862 -16.424 1.00 0.72 H new ATOM 2677 N ASN B 66 -8.590 -1.763 -15.184 1.00 0.56 N ATOM 2678 CA ASN B 66 -9.022 -2.946 -15.961 1.00 0.60 C ATOM 2679 C ASN B 66 -10.514 -2.858 -16.362 1.00 0.61 C ATOM 2680 O ASN B 66 -10.943 -3.567 -17.278 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.750 -4.247 -15.170 1.00 0.65 C ATOM 2682 CG ASN B 66 -7.281 -4.395 -14.780 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -6.895 -4.058 -13.660 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -6.448 -4.885 -15.702 1.00 1.32 N ATOM 0 H ASN B 66 -8.592 -1.907 -14.174 1.00 0.56 H new ATOM 0 HA ASN B 66 -8.435 -2.964 -16.880 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -9.365 -4.257 -14.270 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.052 -5.104 -15.772 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -5.456 -4.990 -15.489 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -6.804 -5.154 -16.619 1.00 1.32 H new ATOM 2691 N GLN B 67 -11.298 -1.986 -15.669 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.740 -1.781 -15.935 1.00 0.64 C ATOM 2693 C GLN B 67 -13.559 -3.065 -15.690 1.00 0.64 C ATOM 2694 O GLN B 67 -14.041 -3.704 -16.636 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.992 -1.213 -17.362 1.00 0.75 C ATOM 2696 CG GLN B 67 -12.532 0.240 -17.549 1.00 0.96 C ATOM 2697 CD GLN B 67 -11.093 0.387 -18.049 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -10.565 -0.489 -18.740 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -10.450 1.510 -17.722 1.00 1.87 N ATOM 0 H GLN B 67 -10.941 -1.407 -14.909 1.00 0.59 H new ATOM 0 HA GLN B 67 -13.087 -1.034 -15.221 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -12.477 -1.842 -18.088 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -14.057 -1.277 -17.584 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -13.201 0.732 -18.255 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -12.629 0.764 -16.598 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -10.914 2.215 -17.149 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -9.495 1.663 -18.045 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.697 -3.436 -14.401 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.451 -4.631 -13.984 1.00 0.72 C ATOM 2710 C ASP B 68 -15.388 -4.339 -12.772 1.00 0.79 C ATOM 2711 O ASP B 68 -15.998 -5.268 -12.226 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.439 -5.752 -13.642 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.066 -7.134 -13.529 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -14.564 -7.651 -14.553 1.00 1.16 O ATOM 2715 OD2 ASP B 68 -14.053 -7.701 -12.417 1.00 1.25 O ATOM 0 H ASP B 68 -13.290 -2.916 -13.624 1.00 0.65 H new ATOM 0 HA ASP B 68 -15.098 -4.945 -14.803 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.665 -5.776 -14.409 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -12.947 -5.509 -12.700 1.00 0.76 H new ATOM 2720 N SER B 69 -15.525 -3.039 -12.371 1.00 0.66 N ATOM 2721 CA SER B 69 -16.364 -2.617 -11.220 1.00 0.71 C ATOM 2722 C SER B 69 -15.911 -3.278 -9.893 1.00 0.71 C ATOM 2723 O SER B 69 -16.722 -3.467 -8.978 1.00 1.26 O ATOM 2724 CB SER B 69 -17.859 -2.899 -11.492 1.00 0.86 C ATOM 2725 OG SER B 69 -18.690 -2.204 -10.568 1.00 1.35 O ATOM 0 H SER B 69 -15.057 -2.263 -12.838 1.00 0.66 H new ATOM 0 HA SER B 69 -16.231 -1.541 -11.106 1.00 0.71 H new ATOM 0 HB2 SER B 69 -18.110 -2.597 -12.509 1.00 0.86 H new ATOM 0 HB3 SER B 69 -18.049 -3.970 -11.421 1.00 0.86 H new ATOM 0 HG SER B 69 -18.361 -2.352 -9.657 1.00 1.35 H new ATOM 2731 N GLU B 70 -14.602 -3.613 -9.793 1.00 0.69 N ATOM 2732 CA GLU B 70 -14.030 -4.257 -8.597 1.00 0.75 C ATOM 2733 C GLU B 70 -12.605 -3.738 -8.338 1.00 0.62 C ATOM 2734 O GLU B 70 -11.798 -3.644 -9.270 1.00 0.78 O ATOM 2735 CB GLU B 70 -14.004 -5.789 -8.763 1.00 1.11 C ATOM 2736 CG GLU B 70 -15.378 -6.416 -9.002 1.00 1.39 C ATOM 2737 CD GLU B 70 -15.346 -7.933 -9.010 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -15.397 -8.530 -7.917 1.00 2.40 O ATOM 2739 OE2 GLU B 70 -15.278 -8.524 -10.108 1.00 2.37 O ATOM 0 H GLU B 70 -13.922 -3.444 -10.535 1.00 0.69 H new ATOM 0 HA GLU B 70 -14.661 -4.007 -7.744 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -13.351 -6.042 -9.598 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -13.565 -6.233 -7.870 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -16.065 -6.077 -8.227 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -15.772 -6.062 -9.955 1.00 1.39 H new ATOM 2746 N LEU B 71 -12.300 -3.403 -7.067 1.00 0.54 N ATOM 2747 CA LEU B 71 -10.976 -2.886 -6.685 1.00 0.51 C ATOM 2748 C LEU B 71 -10.180 -3.917 -5.856 1.00 0.50 C ATOM 2749 O LEU B 71 -10.163 -3.855 -4.621 1.00 0.52 O ATOM 2750 CB LEU B 71 -11.115 -1.548 -5.906 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.517 -0.302 -6.745 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -13.022 -0.280 -7.032 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -11.090 0.994 -6.040 1.00 0.92 C ATOM 0 H LEU B 71 -12.956 -3.483 -6.290 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.418 -2.699 -7.603 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.857 -1.685 -5.120 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -10.165 -1.338 -5.414 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.993 -0.369 -7.699 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -13.267 0.604 -7.620 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -13.299 -1.175 -7.589 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.571 -0.254 -6.091 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -11.382 1.851 -6.646 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -11.576 1.056 -5.066 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -10.008 0.996 -5.906 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.533 -4.887 -6.547 1.00 0.52 N ATOM 2766 CA LYS B 72 -8.684 -5.909 -5.879 1.00 0.54 C ATOM 2767 C LYS B 72 -7.411 -5.211 -5.355 1.00 0.48 C ATOM 2768 O LYS B 72 -7.103 -4.119 -5.824 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.315 -7.043 -6.877 1.00 0.60 C ATOM 2770 CG LYS B 72 -7.826 -8.357 -6.231 1.00 0.78 C ATOM 2771 CD LYS B 72 -6.886 -9.163 -7.146 1.00 0.91 C ATOM 2772 CE LYS B 72 -7.633 -10.075 -8.126 1.00 1.29 C ATOM 2773 NZ LYS B 72 -8.063 -11.358 -7.493 1.00 1.81 N ATOM 0 H LYS B 72 -9.581 -4.985 -7.561 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.226 -6.362 -5.049 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.188 -7.262 -7.491 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.538 -6.676 -7.547 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -7.309 -8.127 -5.300 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -8.688 -8.972 -5.973 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -6.258 -8.473 -7.709 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -6.222 -9.769 -6.530 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -8.508 -9.551 -8.511 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -6.990 -10.291 -8.979 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -8.563 -11.941 -8.194 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -7.227 -11.872 -7.149 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -8.698 -11.156 -6.695 1.00 1.81 H new ATOM 2787 N PHE B 73 -6.672 -5.818 -4.396 1.00 0.51 N ATOM 2788 CA PHE B 73 -5.438 -5.186 -3.852 1.00 0.49 C ATOM 2789 C PHE B 73 -4.409 -4.843 -4.960 1.00 0.46 C ATOM 2790 O PHE B 73 -3.627 -3.906 -4.787 1.00 0.46 O ATOM 2791 CB PHE B 73 -4.789 -6.034 -2.731 1.00 0.55 C ATOM 2792 CG PHE B 73 -4.356 -5.218 -1.518 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -3.184 -4.468 -1.539 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -5.135 -5.190 -0.368 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -2.806 -3.717 -0.440 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -4.758 -4.443 0.732 1.00 1.15 C ATOM 2797 CZ PHE B 73 -3.595 -3.705 0.695 1.00 1.23 C ATOM 0 H PHE B 73 -6.899 -6.725 -3.988 1.00 0.51 H new ATOM 0 HA PHE B 73 -5.757 -4.244 -3.406 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -5.497 -6.798 -2.410 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -3.921 -6.554 -3.137 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -2.563 -4.472 -2.422 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -6.051 -5.762 -0.333 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -1.894 -3.140 -0.469 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -5.374 -4.438 1.619 1.00 1.15 H new ATOM 0 HZ PHE B 73 -3.300 -3.118 1.552 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.407 -5.600 -6.089 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.510 -5.308 -7.234 1.00 0.50 C ATOM 2809 C ASN B 74 -3.883 -3.943 -7.869 1.00 0.48 C ATOM 2810 O ASN B 74 -3.009 -3.218 -8.346 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.593 -6.419 -8.305 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.518 -6.295 -9.388 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -2.692 -5.553 -10.356 1.00 0.99 O ATOM 2814 ND2 ASN B 74 -1.407 -7.019 -9.241 1.00 0.93 N ATOM 0 H ASN B 74 -5.012 -6.410 -6.228 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.488 -5.267 -6.858 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -3.500 -7.390 -7.819 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.577 -6.390 -8.774 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -0.669 -6.968 -9.943 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -1.296 -7.623 -8.427 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.199 -3.622 -7.863 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.730 -2.354 -8.405 1.00 0.47 C ATOM 2823 C GLU B 75 -5.802 -1.275 -7.301 1.00 0.41 C ATOM 2824 O GLU B 75 -5.577 -0.095 -7.575 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.135 -2.579 -9.018 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.137 -3.229 -10.406 1.00 0.64 C ATOM 2827 CD GLU B 75 -6.740 -4.698 -10.387 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -7.604 -5.545 -10.074 1.00 0.91 O ATOM 2829 OE2 GLU B 75 -5.567 -4.999 -10.691 1.00 0.93 O ATOM 0 H GLU B 75 -5.919 -4.236 -7.482 1.00 0.44 H new ATOM 0 HA GLU B 75 -5.053 -2.006 -9.186 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.716 -3.204 -8.339 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.646 -1.618 -9.082 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.132 -3.135 -10.841 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -6.452 -2.684 -11.055 1.00 0.64 H new ATOM 2836 N TYR B 76 -6.111 -1.699 -6.051 1.00 0.41 N ATOM 2837 CA TYR B 76 -6.214 -0.800 -4.881 1.00 0.39 C ATOM 2838 C TYR B 76 -4.829 -0.303 -4.397 1.00 0.36 C ATOM 2839 O TYR B 76 -4.755 0.671 -3.639 1.00 0.43 O ATOM 2840 CB TYR B 76 -6.969 -1.520 -3.739 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.440 -0.622 -2.597 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.341 0.418 -2.821 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.991 -0.824 -1.293 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.775 1.224 -1.787 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.425 -0.023 -0.254 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.315 1.000 -0.504 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.749 1.797 0.534 1.00 0.71 O ATOM 0 H TYR B 76 -6.296 -2.677 -5.828 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.773 0.084 -5.186 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -7.837 -2.026 -4.162 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.319 -2.292 -3.327 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.706 0.597 -3.822 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -6.291 -1.621 -1.091 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.471 2.026 -1.981 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -7.068 -0.198 0.750 1.00 0.59 H new ATOM 0 HH TYR B 76 -8.329 1.503 1.369 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.737 -0.978 -4.839 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.349 -0.600 -4.481 1.00 0.40 C ATOM 2859 C TRP B 77 -2.034 0.873 -4.875 1.00 0.35 C ATOM 2860 O TRP B 77 -1.181 1.506 -4.243 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.347 -1.628 -5.109 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.062 -1.066 -5.680 1.00 0.48 C ATOM 2863 CD1 TRP B 77 1.058 -0.700 -4.989 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.230 -0.826 -7.065 1.00 0.74 C ATOM 2865 NE1 TRP B 77 2.016 -0.231 -5.857 1.00 0.79 N ATOM 2866 CE2 TRP B 77 1.532 -0.302 -7.135 1.00 0.94 C ATOM 2867 CE3 TRP B 77 -0.488 -0.999 -8.252 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 2.132 0.049 -8.343 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 0.110 -0.653 -9.449 1.00 1.37 C ATOM 2870 CH2 TRP B 77 1.405 -0.135 -9.486 1.00 1.54 C ATOM 0 H TRP B 77 -3.795 -1.793 -5.449 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.235 -0.642 -3.398 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -1.088 -2.360 -4.344 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -1.865 -2.166 -5.903 1.00 0.58 H new ATOM 0 HD1 TRP B 77 1.174 -0.769 -3.917 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.938 0.114 -5.591 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -1.492 -1.396 -8.234 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 3.134 0.451 -8.375 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 -0.435 -0.786 -10.372 1.00 1.37 H new ATOM 0 HH2 TRP B 77 1.843 0.126 -10.438 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.733 1.415 -5.907 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.537 2.820 -6.341 1.00 0.41 C ATOM 2883 C ARG B 78 -2.885 3.811 -5.204 1.00 0.38 C ATOM 2884 O ARG B 78 -2.226 4.846 -5.064 1.00 0.45 O ATOM 2885 CB ARG B 78 -3.373 3.144 -7.607 1.00 0.49 C ATOM 2886 CG ARG B 78 -3.027 2.294 -8.839 1.00 0.68 C ATOM 2887 CD ARG B 78 -1.742 2.753 -9.546 1.00 0.88 C ATOM 2888 NE ARG B 78 -1.974 3.150 -10.949 1.00 1.17 N ATOM 2889 CZ ARG B 78 -2.106 2.300 -11.995 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -2.113 0.970 -11.822 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -2.256 2.791 -13.227 1.00 2.15 N ATOM 0 H ARG B 78 -3.431 0.904 -6.448 1.00 0.37 H new ATOM 0 HA ARG B 78 -1.482 2.935 -6.590 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -4.429 3.008 -7.373 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -3.235 4.196 -7.858 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -2.916 1.253 -8.535 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -3.857 2.333 -9.545 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -1.313 3.594 -9.001 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -1.009 1.947 -9.517 1.00 0.88 H new ATOM 0 HE ARG B 78 -2.040 4.148 -11.147 1.00 1.17 H new ATOM 0 HH11 ARG B 78 -2.017 0.577 -10.886 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -2.214 0.352 -12.627 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -2.271 3.800 -13.376 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -2.356 2.157 -14.020 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.913 3.476 -4.386 1.00 0.33 N ATOM 2906 CA LEU B 79 -4.335 4.320 -3.249 1.00 0.34 C ATOM 2907 C LEU B 79 -3.402 4.121 -2.034 1.00 0.32 C ATOM 2908 O LEU B 79 -3.196 5.060 -1.266 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.797 4.011 -2.837 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.521 5.110 -2.019 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.960 6.270 -2.915 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.721 4.532 -1.264 1.00 0.48 C ATOM 0 H LEU B 79 -4.464 2.625 -4.496 1.00 0.33 H new ATOM 0 HA LEU B 79 -4.273 5.358 -3.575 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -6.375 3.819 -3.741 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.802 3.090 -2.254 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.810 5.497 -1.289 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -7.465 7.025 -2.312 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -6.085 6.712 -3.392 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -7.643 5.901 -3.680 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -8.211 5.324 -0.698 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.427 4.104 -1.976 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.380 3.755 -0.580 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.845 2.893 -1.867 1.00 0.34 N ATOM 2925 CA ILE B 80 -1.924 2.577 -0.746 1.00 0.37 C ATOM 2926 C ILE B 80 -0.660 3.463 -0.811 1.00 0.36 C ATOM 2927 O ILE B 80 -0.158 3.895 0.231 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.508 1.057 -0.708 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -2.747 0.115 -0.735 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -0.620 0.742 0.510 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -3.710 0.250 0.442 1.00 0.56 C ATOM 0 H ILE B 80 -3.018 2.107 -2.494 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.472 2.788 0.172 1.00 0.37 H new ATOM 0 HB ILE B 80 -0.926 0.871 -1.611 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.300 0.300 -1.656 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -2.395 -0.916 -0.776 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.353 -0.315 0.502 1.00 0.54 H new ATOM 0 HG22 ILE B 80 0.287 1.345 0.465 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.164 0.972 1.426 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -4.535 -0.452 0.320 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.182 0.032 1.371 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.102 1.267 0.477 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.148 3.713 -2.039 1.00 0.36 N ATOM 2944 CA GLY B 81 1.024 4.572 -2.226 1.00 0.39 C ATOM 2945 C GLY B 81 0.743 6.019 -1.839 1.00 0.37 C ATOM 2946 O GLY B 81 1.561 6.649 -1.166 1.00 0.42 O ATOM 0 H GLY B 81 -0.531 3.331 -2.903 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.851 4.191 -1.627 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.340 4.531 -3.268 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.425 6.546 -2.271 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.844 7.922 -1.929 1.00 0.36 C ATOM 2952 C GLU B 82 -1.214 8.027 -0.431 1.00 0.33 C ATOM 2953 O GLU B 82 -1.120 9.111 0.153 1.00 0.40 O ATOM 2954 CB GLU B 82 -2.033 8.371 -2.812 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.684 8.565 -4.291 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.827 9.796 -4.554 1.00 0.61 C ATOM 2957 OE1 GLU B 82 -1.398 10.897 -4.706 1.00 0.91 O ATOM 2958 OE2 GLU B 82 0.415 9.658 -4.613 1.00 0.79 O ATOM 0 H GLU B 82 -1.091 6.040 -2.855 1.00 0.34 H new ATOM 0 HA GLU B 82 -0.003 8.587 -2.123 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.829 7.630 -2.733 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.429 9.307 -2.419 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -1.157 7.681 -4.651 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.606 8.644 -4.867 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.637 6.890 0.180 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.983 6.824 1.621 1.00 0.35 C ATOM 2967 C LEU B 83 -0.719 7.033 2.485 1.00 0.37 C ATOM 2968 O LEU B 83 -0.713 7.872 3.389 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.654 5.454 1.966 1.00 0.42 C ATOM 2970 CG LEU B 83 -4.173 5.472 2.303 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -5.009 6.195 1.233 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.689 4.047 2.536 1.00 0.63 C ATOM 0 H LEU B 83 -1.747 6.001 -0.309 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.695 7.620 1.840 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.503 4.782 1.121 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -2.124 5.023 2.815 1.00 0.42 H new ATOM 0 HG LEU B 83 -4.290 6.043 3.224 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -6.061 6.177 1.519 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.674 7.229 1.146 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.886 5.692 0.274 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.753 4.079 2.770 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -4.534 3.452 1.636 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -4.148 3.595 3.367 1.00 0.63 H new ATOM 2984 N ALA B 84 0.358 6.272 2.178 1.00 0.38 N ATOM 2985 CA ALA B 84 1.639 6.361 2.914 1.00 0.44 C ATOM 2986 C ALA B 84 2.525 7.555 2.470 1.00 0.45 C ATOM 2987 O ALA B 84 3.562 7.810 3.096 1.00 0.55 O ATOM 2988 CB ALA B 84 2.413 5.045 2.795 1.00 0.55 C ATOM 0 H ALA B 84 0.363 5.587 1.422 1.00 0.38 H new ATOM 0 HA ALA B 84 1.383 6.543 3.958 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.353 5.125 3.341 1.00 0.55 H new ATOM 0 HB2 ALA B 84 1.818 4.234 3.214 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.620 4.838 1.745 1.00 0.55 H new ATOM 2994 N LYS B 85 2.127 8.285 1.403 1.00 0.41 N ATOM 2995 CA LYS B 85 2.890 9.454 0.914 1.00 0.45 C ATOM 2996 C LYS B 85 2.280 10.768 1.440 1.00 0.47 C ATOM 2997 O LYS B 85 3.017 11.666 1.860 1.00 0.57 O ATOM 2998 CB LYS B 85 2.951 9.463 -0.629 1.00 0.49 C ATOM 2999 CG LYS B 85 3.942 10.479 -1.216 1.00 0.57 C ATOM 3000 CD LYS B 85 3.828 10.626 -2.741 1.00 0.66 C ATOM 3001 CE LYS B 85 4.545 9.511 -3.514 1.00 0.79 C ATOM 3002 NZ LYS B 85 3.702 8.288 -3.693 1.00 1.10 N ATOM 0 H LYS B 85 1.283 8.085 0.866 1.00 0.41 H new ATOM 0 HA LYS B 85 3.908 9.375 1.296 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.222 8.466 -0.976 1.00 0.49 H new ATOM 0 HB3 LYS B 85 1.956 9.676 -1.019 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.775 11.450 -0.751 1.00 0.57 H new ATOM 0 HG3 LYS B 85 4.957 10.175 -0.962 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.774 10.633 -3.021 1.00 0.66 H new ATOM 0 HD3 LYS B 85 4.243 11.589 -3.038 1.00 0.66 H new ATOM 0 HE2 LYS B 85 4.841 9.888 -4.493 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.460 9.241 -2.986 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 3.968 7.810 -4.577 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 3.852 7.642 -2.892 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 2.699 8.561 -3.735 1.00 1.10 H new ATOM 3016 N GLU B 86 0.932 10.872 1.426 1.00 0.42 N ATOM 3017 CA GLU B 86 0.229 12.084 1.906 1.00 0.46 C ATOM 3018 C GLU B 86 0.147 12.159 3.452 1.00 0.50 C ATOM 3019 O GLU B 86 -0.205 13.212 3.992 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.181 12.177 1.281 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.166 12.533 -0.208 1.00 0.59 C ATOM 3022 CD GLU B 86 -2.552 12.574 -0.830 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -3.304 13.533 -0.555 1.00 1.68 O ATOM 3024 OE2 GLU B 86 -2.881 11.648 -1.602 1.00 1.48 O ATOM 0 H GLU B 86 0.312 10.136 1.089 1.00 0.42 H new ATOM 0 HA GLU B 86 0.821 12.940 1.582 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.692 11.223 1.413 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -1.760 12.927 1.820 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -0.688 13.504 -0.338 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -0.557 11.804 -0.743 1.00 0.59 H new ATOM 3031 N ILE B 87 0.467 11.053 4.167 1.00 0.48 N ATOM 3032 CA ILE B 87 0.450 11.035 5.654 1.00 0.51 C ATOM 3033 C ILE B 87 1.478 12.035 6.237 1.00 0.53 C ATOM 3034 O ILE B 87 1.154 12.786 7.163 1.00 0.58 O ATOM 3035 CB ILE B 87 0.689 9.584 6.231 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.539 9.526 7.793 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.025 8.976 5.763 1.00 0.62 C ATOM 3038 CD1 ILE B 87 1.789 9.831 8.618 1.00 0.63 C ATOM 0 H ILE B 87 0.739 10.166 3.743 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.546 11.349 5.965 1.00 0.51 H new ATOM 0 HB ILE B 87 -0.103 8.962 5.815 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.241 10.229 8.086 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.188 8.530 8.064 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.140 7.979 6.188 1.00 0.62 H new ATOM 0 HG22 ILE B 87 2.033 8.910 4.675 1.00 0.62 H new ATOM 0 HG23 ILE B 87 2.849 9.609 6.094 1.00 0.62 H new ATOM 0 HD11 ILE B 87 1.551 9.757 9.679 1.00 0.63 H new ATOM 0 HD12 ILE B 87 2.572 9.114 8.371 1.00 0.63 H new ATOM 0 HD13 ILE B 87 2.136 10.839 8.393 1.00 0.63 H new ATOM 3050 N ARG B 88 2.703 12.041 5.675 1.00 0.57 N ATOM 3051 CA ARG B 88 3.790 12.926 6.133 1.00 0.67 C ATOM 3052 C ARG B 88 3.735 14.303 5.446 1.00 0.67 C ATOM 3053 O ARG B 88 3.928 15.325 6.108 1.00 0.84 O ATOM 3054 CB ARG B 88 5.173 12.255 5.914 1.00 0.75 C ATOM 3055 CG ARG B 88 5.524 11.968 4.452 1.00 0.82 C ATOM 3056 CD ARG B 88 6.874 11.289 4.292 1.00 1.05 C ATOM 3057 NE ARG B 88 7.246 11.165 2.874 1.00 1.17 N ATOM 3058 CZ ARG B 88 6.940 10.128 2.062 1.00 1.26 C ATOM 3059 NH1 ARG B 88 6.233 9.075 2.494 1.00 1.64 N ATOM 3060 NH2 ARG B 88 7.339 10.160 0.792 1.00 1.55 N ATOM 0 H ARG B 88 2.965 11.437 4.896 1.00 0.57 H new ATOM 0 HA ARG B 88 3.650 13.090 7.201 1.00 0.67 H new ATOM 0 HB2 ARG B 88 5.944 12.898 6.338 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.198 11.318 6.470 1.00 0.75 H new ATOM 0 HG2 ARG B 88 4.751 11.336 4.015 1.00 0.82 H new ATOM 0 HG3 ARG B 88 5.525 12.904 3.893 1.00 0.82 H new ATOM 0 HD2 ARG B 88 7.636 11.861 4.821 1.00 1.05 H new ATOM 0 HD3 ARG B 88 6.843 10.300 4.750 1.00 1.05 H new ATOM 0 HE ARG B 88 7.783 11.930 2.467 1.00 1.17 H new ATOM 0 HH11 ARG B 88 5.909 9.040 3.461 1.00 1.64 H new ATOM 0 HH12 ARG B 88 6.019 8.308 1.856 1.00 1.64 H new ATOM 0 HH21 ARG B 88 7.868 10.959 0.444 1.00 1.55 H new ATOM 0 HH22 ARG B 88 7.116 9.385 0.168 1.00 1.55 H new ATOM 3074 N LYS B 89 3.462 14.329 4.118 1.00 0.60 N ATOM 3075 CA LYS B 89 3.394 15.588 3.360 1.00 0.67 C ATOM 3076 C LYS B 89 2.213 15.610 2.365 1.00 0.63 C ATOM 3077 O LYS B 89 2.361 15.273 1.185 1.00 0.76 O ATOM 3078 CB LYS B 89 4.749 15.891 2.659 1.00 0.76 C ATOM 3079 CG LYS B 89 5.224 14.843 1.633 1.00 0.78 C ATOM 3080 CD LYS B 89 6.621 15.163 1.092 1.00 1.06 C ATOM 3081 CE LYS B 89 6.924 14.398 -0.199 1.00 1.32 C ATOM 3082 NZ LYS B 89 8.155 14.905 -0.875 1.00 1.65 N ATOM 0 H LYS B 89 3.287 13.494 3.559 1.00 0.60 H new ATOM 0 HA LYS B 89 3.205 16.387 4.077 1.00 0.67 H new ATOM 0 HB2 LYS B 89 4.668 16.854 2.155 1.00 0.76 H new ATOM 0 HB3 LYS B 89 5.517 15.996 3.425 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.232 13.857 2.099 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.516 14.799 0.805 1.00 0.78 H new ATOM 0 HD2 LYS B 89 6.702 16.234 0.906 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.368 14.913 1.846 1.00 1.06 H new ATOM 0 HE2 LYS B 89 7.045 13.339 0.027 1.00 1.32 H new ATOM 0 HE3 LYS B 89 6.076 14.484 -0.879 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 8.323 14.360 -1.744 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 8.031 15.909 -1.115 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 8.970 14.800 -0.237 1.00 1.65 H new ATOM 3096 N LYS B 90 1.023 16.000 2.864 1.00 0.58 N ATOM 3097 CA LYS B 90 -0.183 16.118 2.013 1.00 0.56 C ATOM 3098 C LYS B 90 -0.138 17.445 1.225 1.00 0.54 C ATOM 3099 O LYS B 90 -0.556 17.491 0.063 1.00 0.58 O ATOM 3100 CB LYS B 90 -1.506 15.991 2.823 1.00 0.59 C ATOM 3101 CG LYS B 90 -1.574 16.775 4.145 1.00 0.66 C ATOM 3102 CD LYS B 90 -1.373 15.874 5.374 1.00 0.96 C ATOM 3103 CE LYS B 90 -1.418 16.659 6.688 1.00 1.48 C ATOM 3104 NZ LYS B 90 -0.163 17.429 6.940 1.00 2.03 N ATOM 0 H LYS B 90 0.869 16.237 3.844 1.00 0.58 H new ATOM 0 HA LYS B 90 -0.175 15.282 1.313 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -2.329 16.319 2.188 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -1.673 14.936 3.042 1.00 0.59 H new ATOM 0 HG2 LYS B 90 -0.812 17.554 4.141 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -2.540 17.274 4.218 1.00 0.66 H new ATOM 0 HD2 LYS B 90 -2.145 15.105 5.387 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -0.414 15.362 5.293 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -2.264 17.346 6.668 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -1.588 15.968 7.514 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -0.245 17.942 7.841 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 0.643 16.773 6.987 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -0.012 18.109 6.167 1.00 2.03 H new ATOM 3118 N LYS B 91 0.382 18.510 1.877 1.00 0.55 N ATOM 3119 CA LYS B 91 0.555 19.838 1.266 1.00 0.59 C ATOM 3120 C LYS B 91 2.062 20.159 1.216 1.00 0.62 C ATOM 3121 O LYS B 91 2.558 20.980 1.998 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.202 20.911 2.087 1.00 0.64 C ATOM 3123 CG LYS B 91 -1.723 20.890 1.928 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.425 21.677 3.045 1.00 0.84 C ATOM 3125 CE LYS B 91 -3.929 21.837 2.801 1.00 1.14 C ATOM 3126 NZ LYS B 91 -4.243 22.958 1.865 1.00 1.36 N ATOM 0 H LYS B 91 0.694 18.467 2.847 1.00 0.55 H new ATOM 0 HA LYS B 91 0.144 19.839 0.256 1.00 0.59 H new ATOM 0 HB2 LYS B 91 0.040 20.778 3.141 1.00 0.64 H new ATOM 0 HB3 LYS B 91 0.165 21.895 1.797 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -1.993 21.313 0.960 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -2.075 19.858 1.934 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.268 21.168 3.996 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -1.968 22.663 3.131 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -4.328 20.907 2.396 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -4.431 22.012 3.753 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -5.273 23.023 1.734 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -3.887 23.851 2.261 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -3.788 22.781 0.947 1.00 1.36 H new ATOM 3140 N ASP B 92 2.793 19.484 0.303 1.00 0.66 N ATOM 3141 CA ASP B 92 4.259 19.666 0.155 1.00 0.74 C ATOM 3142 C ASP B 92 4.612 21.008 -0.533 1.00 0.92 C ATOM 3143 O ASP B 92 5.167 21.031 -1.641 1.00 1.72 O ATOM 3144 CB ASP B 92 4.887 18.458 -0.594 1.00 0.75 C ATOM 3145 CG ASP B 92 4.301 18.210 -1.982 1.00 0.88 C ATOM 3146 OD1 ASP B 92 3.170 17.685 -2.061 1.00 0.93 O ATOM 3147 OD2 ASP B 92 4.974 18.538 -2.980 1.00 1.15 O ATOM 0 H ASP B 92 2.393 18.806 -0.346 1.00 0.66 H new ATOM 0 HA ASP B 92 4.689 19.707 1.156 1.00 0.74 H new ATOM 0 HB2 ASP B 92 5.960 18.622 -0.689 1.00 0.75 H new ATOM 0 HB3 ASP B 92 4.754 17.561 0.010 1.00 0.75 H new ATOM 3152 N LEU B 93 4.295 22.126 0.153 1.00 0.63 N ATOM 3153 CA LEU B 93 4.543 23.492 -0.356 1.00 0.66 C ATOM 3154 C LEU B 93 4.149 24.556 0.697 1.00 0.69 C ATOM 3155 O LEU B 93 4.881 25.529 0.901 1.00 0.82 O ATOM 3156 CB LEU B 93 3.778 23.748 -1.687 1.00 0.71 C ATOM 3157 CG LEU B 93 4.397 24.800 -2.639 1.00 0.97 C ATOM 3158 CD1 LEU B 93 5.749 24.328 -3.193 1.00 1.27 C ATOM 3159 CD2 LEU B 93 3.431 25.127 -3.785 1.00 1.18 C ATOM 0 H LEU B 93 3.860 22.108 1.075 1.00 0.63 H new ATOM 0 HA LEU B 93 5.612 23.576 -0.554 1.00 0.66 H new ATOM 0 HB2 LEU B 93 3.700 22.803 -2.225 1.00 0.71 H new ATOM 0 HB3 LEU B 93 2.763 24.061 -1.444 1.00 0.71 H new ATOM 0 HG LEU B 93 4.572 25.707 -2.061 1.00 0.97 H new ATOM 0 HD11 LEU B 93 6.156 25.090 -3.858 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.441 24.159 -2.368 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.611 23.400 -3.747 1.00 1.27 H new ATOM 0 HD21 LEU B 93 3.885 25.868 -4.443 1.00 1.18 H new ATOM 0 HD22 LEU B 93 3.219 24.220 -4.352 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.502 25.525 -3.376 1.00 1.18 H new ATOM 3171 N LYS B 94 2.979 24.355 1.359 1.00 0.66 N ATOM 3172 CA LYS B 94 2.473 25.279 2.396 1.00 0.74 C ATOM 3173 C LYS B 94 2.916 24.831 3.804 1.00 0.70 C ATOM 3174 O LYS B 94 3.462 25.641 4.565 1.00 0.79 O ATOM 3175 CB LYS B 94 0.926 25.364 2.323 1.00 0.84 C ATOM 3176 CG LYS B 94 0.298 26.523 3.114 1.00 1.00 C ATOM 3177 CD LYS B 94 0.467 27.874 2.406 1.00 1.15 C ATOM 3178 CE LYS B 94 -0.151 29.029 3.201 1.00 1.45 C ATOM 3179 NZ LYS B 94 0.633 29.367 4.428 1.00 1.61 N ATOM 0 H LYS B 94 2.369 23.555 1.188 1.00 0.66 H new ATOM 0 HA LYS B 94 2.895 26.266 2.208 1.00 0.74 H new ATOM 0 HB2 LYS B 94 0.632 25.457 1.278 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.508 24.426 2.690 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -0.763 26.324 3.263 1.00 1.00 H new ATOM 0 HG3 LYS B 94 0.755 26.574 4.102 1.00 1.00 H new ATOM 0 HD2 LYS B 94 1.528 28.070 2.250 1.00 1.15 H new ATOM 0 HD3 LYS B 94 0.004 27.826 1.420 1.00 1.15 H new ATOM 0 HE2 LYS B 94 -0.217 29.910 2.563 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -1.169 28.765 3.486 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 0.172 30.154 4.929 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 0.675 28.537 5.053 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 1.598 29.646 4.158 1.00 1.61 H new ATOM 3193 N ILE B 95 2.681 23.542 4.144 1.00 0.65 N ATOM 3194 CA ILE B 95 3.042 22.986 5.467 1.00 0.66 C ATOM 3195 C ILE B 95 3.877 21.693 5.328 1.00 0.68 C ATOM 3196 O ILE B 95 3.510 20.795 4.566 1.00 0.78 O ATOM 3197 CB ILE B 95 1.770 22.721 6.351 1.00 0.74 C ATOM 3198 CG1 ILE B 95 0.699 21.880 5.590 1.00 0.83 C ATOM 3199 CG2 ILE B 95 1.183 24.055 6.839 1.00 0.84 C ATOM 3200 CD1 ILE B 95 -0.472 21.406 6.439 1.00 1.04 C ATOM 0 H ILE B 95 2.242 22.867 3.518 1.00 0.65 H new ATOM 0 HA ILE B 95 3.653 23.736 5.969 1.00 0.66 H new ATOM 0 HB ILE B 95 2.076 22.133 7.217 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.311 22.476 4.764 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.187 21.009 5.153 1.00 0.83 H new ATOM 0 HG21 ILE B 95 0.302 23.863 7.451 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.928 24.585 7.432 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.902 24.665 5.980 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -1.161 20.831 5.820 1.00 1.04 H new ATOM 0 HD12 ILE B 95 -0.103 20.779 7.250 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -0.992 22.269 6.855 1.00 1.04 H new ATOM 3212 N ARG B 96 5.010 21.613 6.065 1.00 0.70 N ATOM 3213 CA ARG B 96 5.890 20.424 6.020 1.00 0.79 C ATOM 3214 C ARG B 96 6.550 20.101 7.389 1.00 0.79 C ATOM 3215 O ARG B 96 7.605 19.459 7.424 1.00 1.02 O ATOM 3216 CB ARG B 96 6.961 20.585 4.908 1.00 0.99 C ATOM 3217 CG ARG B 96 8.034 21.655 5.170 1.00 1.12 C ATOM 3218 CD ARG B 96 8.986 21.832 3.983 1.00 1.41 C ATOM 3219 NE ARG B 96 9.686 20.586 3.605 1.00 1.59 N ATOM 3220 CZ ARG B 96 10.510 20.456 2.544 1.00 2.01 C ATOM 3221 NH1 ARG B 96 10.808 21.502 1.757 1.00 2.42 N ATOM 3222 NH2 ARG B 96 11.048 19.266 2.275 1.00 2.37 N ATOM 0 H ARG B 96 5.333 22.350 6.691 1.00 0.70 H new ATOM 0 HA ARG B 96 5.255 19.571 5.782 1.00 0.79 H new ATOM 0 HB2 ARG B 96 7.458 19.625 4.765 1.00 0.99 H new ATOM 0 HB3 ARG B 96 6.455 20.825 3.973 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.549 22.606 5.388 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.608 21.380 6.055 1.00 1.12 H new ATOM 0 HD2 ARG B 96 8.422 22.198 3.125 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.724 22.595 4.229 1.00 1.41 H new ATOM 0 HE ARG B 96 9.535 19.764 4.189 1.00 1.59 H new ATOM 0 HH11 ARG B 96 10.409 22.420 1.955 1.00 2.42 H new ATOM 0 HH12 ARG B 96 11.433 21.379 0.961 1.00 2.42 H new ATOM 0 HH21 ARG B 96 10.836 18.464 2.869 1.00 2.37 H new ATOM 0 HH22 ARG B 96 11.672 19.157 1.475 1.00 2.37 H new ATOM 3236 N LYS B 97 5.922 20.523 8.512 1.00 0.72 N ATOM 3237 CA LYS B 97 6.462 20.249 9.861 1.00 0.76 C ATOM 3238 C LYS B 97 5.345 19.786 10.826 1.00 0.76 C ATOM 3239 O LYS B 97 5.013 20.467 11.805 1.00 1.04 O ATOM 3240 CB LYS B 97 7.249 21.470 10.415 1.00 0.89 C ATOM 3241 CG LYS B 97 6.458 22.782 10.515 1.00 0.94 C ATOM 3242 CD LYS B 97 7.230 23.857 11.290 1.00 1.16 C ATOM 3243 CE LYS B 97 6.354 25.059 11.649 1.00 1.49 C ATOM 3244 NZ LYS B 97 5.326 24.738 12.688 1.00 1.86 N ATOM 0 H LYS B 97 5.049 21.050 8.509 1.00 0.72 H new ATOM 0 HA LYS B 97 7.173 19.427 9.778 1.00 0.76 H new ATOM 0 HB2 LYS B 97 7.625 21.217 11.406 1.00 0.89 H new ATOM 0 HB3 LYS B 97 8.118 21.638 9.778 1.00 0.89 H new ATOM 0 HG2 LYS B 97 6.233 23.148 9.513 1.00 0.94 H new ATOM 0 HG3 LYS B 97 5.504 22.594 11.007 1.00 0.94 H new ATOM 0 HD2 LYS B 97 7.637 23.422 12.203 1.00 1.16 H new ATOM 0 HD3 LYS B 97 8.077 24.194 10.693 1.00 1.16 H new ATOM 0 HE2 LYS B 97 6.987 25.870 12.009 1.00 1.49 H new ATOM 0 HE3 LYS B 97 5.855 25.420 10.750 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.853 25.613 12.991 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.622 24.084 12.290 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 5.787 24.293 13.507 1.00 1.86 H new ATOM 3258 N LYS B 98 4.769 18.604 10.527 1.00 0.71 N ATOM 3259 CA LYS B 98 3.695 18.008 11.344 1.00 0.74 C ATOM 3260 C LYS B 98 3.637 16.488 11.130 1.00 0.90 C ATOM 3261 O LYS B 98 3.855 15.742 12.110 1.00 1.07 O ATOM 3262 CB LYS B 98 2.331 18.651 11.009 1.00 0.96 C ATOM 3263 CG LYS B 98 1.220 18.312 12.006 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.128 18.916 11.611 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.228 18.559 12.613 1.00 1.69 C ATOM 3266 NZ LYS B 98 -1.022 19.201 13.948 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.382 16.060 9.984 1.00 1.15 O ATOM 0 H LYS B 98 5.033 18.040 9.719 1.00 0.71 H new ATOM 0 HA LYS B 98 3.917 18.203 12.393 1.00 0.74 H new ATOM 0 HB2 LYS B 98 2.451 19.734 10.969 1.00 0.96 H new ATOM 0 HB3 LYS B 98 2.023 18.328 10.014 1.00 0.96 H new ATOM 0 HG2 LYS B 98 1.121 17.229 12.080 1.00 1.08 H new ATOM 0 HG3 LYS B 98 1.501 18.675 12.995 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.035 20.000 11.545 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.409 18.559 10.620 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.194 18.867 12.211 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.264 17.477 12.736 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -1.829 18.982 14.567 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -0.147 18.837 14.377 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -0.947 20.231 13.830 1.00 1.85 H new