USER MOD reduce.3.24.130724 H: found=0, std=0, add=1667, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 66 ASNHD21 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : A 66 ASNHD22 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD21 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD22 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD Set 1.1: B 44 GLN : amide:sc= -0.497 X(o=0.61,f=1.1) USER MOD Set 1.2: B 45 GLN : amide:sc= 1.1 K(o=0.61,f=-8.7!) USER MOD Set 2.1: A 85 LYS NZ :NH3+ 180:sc= 2.4 (180deg=1.14) USER MOD Set 2.2: B 74 ASN : amide:sc= 2.16 K(o=4.6,f=-11!) USER MOD Set 3.1: A 74 ASN : amide:sc= 0.53 K(o=2.6,f=-7.1!) USER MOD Set 3.2: B 85 LYS NZ :NH3+ 174:sc= 2.04 (180deg=0.974) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0225! (180deg=-1.46!) USER MOD Single : A 7 THR OG1 : rot 83:sc= 1.33 USER MOD Single : A 12 SER OG : rot -33:sc= 1.28 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 92:sc= 1.16 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 2.17 K(o=2.2,f=-9.5!) USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0.0611 (180deg=0.0152) USER MOD Single : A 32 SER OG : rot 43:sc= 0.662 USER MOD Single : A 34 SER OG : rot -158:sc= 0.958 USER MOD Single : A 36 ASN : amide:sc= 1.18 K(o=1.2,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 2.46 (180deg=2.07) USER MOD Single : A 43 THR OG1 : rot 86:sc= 1.2 USER MOD Single : A 44 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.1 K(o=1.1,f=-0.17) USER MOD Single : A 48 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 84:sc= 1.3 USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 2.4 (180deg=2.05) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.21) USER MOD Single : A 62 SER OG : rot 83:sc= 0.254 USER MOD Single : A 67 GLN : amide:sc= -0.0606 K(o=-0.061,f=-1.4!) USER MOD Single : A 69 SER OG : rot -48:sc= 0.818 USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 1.12 (180deg=0.395) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0645 USER MOD Single : A 89 LYS NZ :NH3+ -134:sc= 0.784 (180deg=-3.88!) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 2.16 (180deg=2.14) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0.924 (180deg=-0.101) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -179:sc= 0.491 (180deg=0.431) USER MOD Single : B 1 MET CE :methyl 172:sc= -0.0502 (180deg=-0.0573) USER MOD Single : B 1 MET N :NH3+ 135:sc= 0.158 (180deg=-0.0295) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot -34:sc= 1.23 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 69:sc= 1.24 USER MOD Single : B 22 THR OG1 : rot -89:sc= 0.762 USER MOD Single : B 26 GLN : amide:sc= 1.16 K(o=1.2,f=-2.2!) USER MOD Single : B 30 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.11) USER MOD Single : B 32 SER OG : rot -158:sc= 1.32 USER MOD Single : B 36 ASN : amide:sc= 0.678 K(o=0.68,f=-0.68) USER MOD Single : B 39 LYS NZ :NH3+ -173:sc= -0.936 (180deg=-1.26) USER MOD Single : B 43 THR OG1 : rot 88:sc= 1.17 USER MOD Single : B 48 HIS : no HE2:sc= 0.0391 K(o=0.039,f=-2.5!) USER MOD Single : B 51 LYS NZ :NH3+ -116:sc= -0.0873 (180deg=-2.89!) USER MOD Single : B 55 SER OG : rot -154:sc= 1.2 USER MOD Single : B 59 LYS NZ :NH3+ -153:sc= 0.657 (180deg=0.264) USER MOD Single : B 60 MET CE :methyl 180:sc=-0.00751 (180deg=-0.00751) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 GLN : amide:sc= 0.452 K(o=0.45,f=-1) USER MOD Single : B 69 SER OG : rot -37:sc= 0.705 USER MOD Single : B 72 LYS NZ :NH3+ -179:sc= 2.41 (180deg=2.4) USER MOD Single : B 76 TYR OH : rot -26:sc= -0.145 USER MOD Single : B 89 LYS NZ :NH3+ 156:sc= 0.838 (180deg=0.595) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ -178:sc= 0.898 (180deg=0.714) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : B 97 LYS NZ :NH3+ 175:sc= 0.934 (180deg=0.5) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.782 -15.346 -21.492 1.00 7.75 N ATOM 2 CA MET A 1 6.795 -16.126 -22.737 1.00 6.63 C ATOM 3 C MET A 1 6.812 -17.631 -22.470 1.00 4.58 C ATOM 4 O MET A 1 6.211 -18.374 -23.240 1.00 5.33 O ATOM 5 CB MET A 1 7.944 -15.694 -23.662 1.00 7.13 C ATOM 6 CG MET A 1 9.346 -15.996 -23.110 1.00 8.22 C ATOM 7 SD MET A 1 10.693 -15.463 -24.207 1.00 9.80 S ATOM 8 CE MET A 1 12.112 -16.008 -23.214 1.00 11.19 C ATOM 0 H1 MET A 1 6.420 -14.390 -21.685 1.00 7.75 H new ATOM 0 H2 MET A 1 6.169 -15.815 -20.795 1.00 7.75 H new ATOM 0 H3 MET A 1 7.748 -15.280 -21.114 1.00 7.75 H new ATOM 0 HA MET A 1 5.863 -15.911 -23.259 1.00 6.63 H new ATOM 0 HB2 MET A 1 7.829 -16.195 -24.623 1.00 7.13 H new ATOM 0 HB3 MET A 1 7.862 -14.623 -23.848 1.00 7.13 H new ATOM 0 HG2 MET A 1 9.460 -15.505 -22.144 1.00 8.22 H new ATOM 0 HG3 MET A 1 9.435 -17.068 -22.935 1.00 8.22 H new ATOM 0 HE1 MET A 1 13.037 -15.761 -23.735 1.00 11.19 H new ATOM 0 HE2 MET A 1 12.095 -15.504 -22.248 1.00 11.19 H new ATOM 0 HE3 MET A 1 12.057 -17.086 -23.062 1.00 11.19 H new ATOM 20 N ALA A 2 7.487 -18.090 -21.408 1.00 3.06 N ATOM 21 CA ALA A 2 7.581 -19.513 -21.105 1.00 2.45 C ATOM 22 C ALA A 2 7.381 -19.790 -19.620 1.00 2.47 C ATOM 23 O ALA A 2 8.061 -20.636 -19.048 1.00 3.37 O ATOM 24 CB ALA A 2 8.905 -20.070 -21.641 1.00 3.25 C ATOM 0 H ALA A 2 7.976 -17.489 -20.745 1.00 3.06 H new ATOM 0 HA ALA A 2 6.770 -20.036 -21.611 1.00 2.45 H new ATOM 0 HB1 ALA A 2 8.971 -21.134 -21.412 1.00 3.25 H new ATOM 0 HB2 ALA A 2 8.949 -19.927 -22.721 1.00 3.25 H new ATOM 0 HB3 ALA A 2 9.737 -19.545 -21.171 1.00 3.25 H new ATOM 30 N ALA A 3 6.389 -19.115 -19.037 1.00 2.88 N ATOM 31 CA ALA A 3 5.856 -19.377 -17.716 1.00 3.58 C ATOM 32 C ALA A 3 6.832 -18.865 -16.663 1.00 2.61 C ATOM 33 O ALA A 3 7.571 -19.639 -16.059 1.00 3.19 O ATOM 34 CB ALA A 3 5.469 -20.850 -17.518 1.00 5.09 C ATOM 0 H ALA A 3 5.920 -18.337 -19.501 1.00 2.88 H new ATOM 0 HA ALA A 3 4.920 -18.830 -17.602 1.00 3.58 H new ATOM 0 HB1 ALA A 3 5.075 -20.991 -16.511 1.00 5.09 H new ATOM 0 HB2 ALA A 3 4.708 -21.127 -18.247 1.00 5.09 H new ATOM 0 HB3 ALA A 3 6.349 -21.479 -17.655 1.00 5.09 H new ATOM 40 N GLU A 4 6.826 -17.548 -16.442 1.00 1.96 N ATOM 41 CA GLU A 4 7.759 -16.850 -15.593 1.00 1.51 C ATOM 42 C GLU A 4 6.949 -16.126 -14.509 1.00 1.29 C ATOM 43 O GLU A 4 6.940 -14.897 -14.481 1.00 1.31 O ATOM 44 CB GLU A 4 8.594 -15.920 -16.497 1.00 2.36 C ATOM 45 CG GLU A 4 7.789 -15.188 -17.590 1.00 3.52 C ATOM 46 CD GLU A 4 7.518 -16.014 -18.842 1.00 4.72 C ATOM 47 OE1 GLU A 4 8.432 -16.162 -19.686 1.00 5.08 O ATOM 48 OE2 GLU A 4 6.345 -16.362 -19.115 1.00 6.03 O ATOM 0 H GLU A 4 6.140 -16.927 -16.872 1.00 1.96 H new ATOM 0 HA GLU A 4 8.460 -17.504 -15.074 1.00 1.51 H new ATOM 0 HB2 GLU A 4 9.090 -15.177 -15.872 1.00 2.36 H new ATOM 0 HB3 GLU A 4 9.377 -16.508 -16.975 1.00 2.36 H new ATOM 0 HG2 GLU A 4 6.836 -14.869 -17.168 1.00 3.52 H new ATOM 0 HG3 GLU A 4 8.329 -14.285 -17.876 1.00 3.52 H new ATOM 55 N PRO A 5 6.240 -16.863 -13.633 1.00 1.50 N ATOM 56 CA PRO A 5 5.575 -16.262 -12.492 1.00 1.53 C ATOM 57 C PRO A 5 6.651 -15.676 -11.586 1.00 1.28 C ATOM 58 O PRO A 5 7.779 -16.174 -11.558 1.00 1.74 O ATOM 59 CB PRO A 5 4.813 -17.397 -11.808 1.00 2.07 C ATOM 60 CG PRO A 5 5.675 -18.619 -12.124 1.00 2.23 C ATOM 61 CD PRO A 5 6.196 -18.315 -13.531 1.00 1.98 C ATOM 0 HA PRO A 5 4.884 -15.461 -12.757 1.00 1.53 H new ATOM 0 HB2 PRO A 5 4.721 -17.233 -10.734 1.00 2.07 H new ATOM 0 HB3 PRO A 5 3.802 -17.502 -12.203 1.00 2.07 H new ATOM 0 HG2 PRO A 5 6.489 -18.735 -11.408 1.00 2.23 H new ATOM 0 HG3 PRO A 5 5.094 -19.541 -12.099 1.00 2.23 H new ATOM 0 HD2 PRO A 5 7.185 -18.748 -13.684 1.00 1.98 H new ATOM 0 HD3 PRO A 5 5.541 -18.741 -14.291 1.00 1.98 H new ATOM 69 N LEU A 6 6.317 -14.600 -10.881 1.00 0.96 N ATOM 70 CA LEU A 6 7.278 -13.845 -10.097 1.00 1.12 C ATOM 71 C LEU A 6 6.990 -14.076 -8.611 1.00 1.35 C ATOM 72 O LEU A 6 6.292 -15.029 -8.257 1.00 1.60 O ATOM 73 CB LEU A 6 7.265 -12.368 -10.522 1.00 1.34 C ATOM 74 CG LEU A 6 7.006 -12.101 -12.027 1.00 0.91 C ATOM 75 CD1 LEU A 6 5.599 -11.522 -12.208 1.00 1.38 C ATOM 76 CD2 LEU A 6 8.010 -11.063 -12.544 1.00 1.56 C ATOM 0 H LEU A 6 5.368 -14.229 -10.840 1.00 0.96 H new ATOM 0 HA LEU A 6 8.296 -14.189 -10.280 1.00 1.12 H new ATOM 0 HB2 LEU A 6 6.500 -11.850 -9.944 1.00 1.34 H new ATOM 0 HB3 LEU A 6 8.223 -11.924 -10.253 1.00 1.34 H new ATOM 0 HG LEU A 6 7.109 -13.038 -12.574 1.00 0.91 H new ATOM 0 HD11 LEU A 6 5.416 -11.334 -13.266 1.00 1.38 H new ATOM 0 HD12 LEU A 6 4.862 -12.232 -11.833 1.00 1.38 H new ATOM 0 HD13 LEU A 6 5.516 -10.587 -11.654 1.00 1.38 H new ATOM 0 HD21 LEU A 6 7.827 -10.876 -13.602 1.00 1.56 H new ATOM 0 HD22 LEU A 6 7.893 -10.134 -11.986 1.00 1.56 H new ATOM 0 HD23 LEU A 6 9.024 -11.440 -12.412 1.00 1.56 H new ATOM 88 N THR A 7 7.528 -13.250 -7.713 1.00 1.44 N ATOM 89 CA THR A 7 7.226 -13.417 -6.300 1.00 1.68 C ATOM 90 C THR A 7 5.740 -13.152 -6.058 1.00 1.39 C ATOM 91 O THR A 7 5.202 -12.197 -6.600 1.00 1.32 O ATOM 92 CB THR A 7 8.058 -12.436 -5.472 1.00 2.00 C ATOM 93 OG1 THR A 7 9.405 -12.412 -5.893 1.00 3.97 O ATOM 94 CG2 THR A 7 7.934 -12.724 -3.980 1.00 1.30 C ATOM 0 H THR A 7 8.158 -12.479 -7.935 1.00 1.44 H new ATOM 0 HA THR A 7 7.468 -14.437 -6.002 1.00 1.68 H new ATOM 0 HB THR A 7 7.654 -11.438 -5.643 1.00 2.00 H new ATOM 0 HG1 THR A 7 9.497 -11.810 -6.660 1.00 3.97 H new ATOM 0 HG21 THR A 7 8.537 -12.009 -3.420 1.00 1.30 H new ATOM 0 HG22 THR A 7 6.891 -12.634 -3.678 1.00 1.30 H new ATOM 0 HG23 THR A 7 8.285 -13.735 -3.774 1.00 1.30 H new ATOM 102 N GLU A 8 5.090 -13.924 -5.186 1.00 1.53 N ATOM 103 CA GLU A 8 3.711 -13.701 -4.763 1.00 1.52 C ATOM 104 C GLU A 8 3.394 -12.206 -4.565 1.00 1.18 C ATOM 105 O GLU A 8 2.487 -11.647 -5.177 1.00 1.16 O ATOM 106 CB GLU A 8 3.506 -14.503 -3.474 1.00 1.92 C ATOM 107 CG GLU A 8 2.063 -14.478 -2.973 1.00 1.82 C ATOM 108 CD GLU A 8 1.925 -15.358 -1.736 1.00 2.19 C ATOM 109 OE1 GLU A 8 2.862 -15.309 -0.906 1.00 2.86 O ATOM 110 OE2 GLU A 8 0.912 -16.082 -1.655 1.00 2.34 O ATOM 0 H GLU A 8 5.519 -14.738 -4.746 1.00 1.53 H new ATOM 0 HA GLU A 8 3.021 -14.036 -5.538 1.00 1.52 H new ATOM 0 HB2 GLU A 8 3.807 -15.537 -3.645 1.00 1.92 H new ATOM 0 HB3 GLU A 8 4.160 -14.105 -2.698 1.00 1.92 H new ATOM 0 HG2 GLU A 8 1.769 -13.455 -2.736 1.00 1.82 H new ATOM 0 HG3 GLU A 8 1.391 -14.830 -3.756 1.00 1.82 H new ATOM 117 N LEU A 9 4.169 -11.534 -3.706 1.00 1.00 N ATOM 118 CA LEU A 9 3.946 -10.121 -3.455 1.00 0.73 C ATOM 119 C LEU A 9 4.312 -9.253 -4.667 1.00 0.64 C ATOM 120 O LEU A 9 3.570 -8.320 -4.958 1.00 0.59 O ATOM 121 CB LEU A 9 4.589 -9.682 -2.130 1.00 0.58 C ATOM 122 CG LEU A 9 3.780 -10.195 -0.917 1.00 0.72 C ATOM 123 CD1 LEU A 9 4.557 -9.985 0.385 1.00 1.29 C ATOM 124 CD2 LEU A 9 2.432 -9.472 -0.770 1.00 1.64 C ATOM 0 H LEU A 9 4.943 -11.945 -3.184 1.00 1.00 H new ATOM 0 HA LEU A 9 2.876 -9.960 -3.323 1.00 0.73 H new ATOM 0 HB2 LEU A 9 5.610 -10.060 -2.076 1.00 0.58 H new ATOM 0 HB3 LEU A 9 4.650 -8.594 -2.096 1.00 0.58 H new ATOM 0 HG LEU A 9 3.606 -11.256 -1.099 1.00 0.72 H new ATOM 0 HD11 LEU A 9 3.967 -10.354 1.224 1.00 1.29 H new ATOM 0 HD12 LEU A 9 5.500 -10.529 0.338 1.00 1.29 H new ATOM 0 HD13 LEU A 9 4.758 -8.922 0.522 1.00 1.29 H new ATOM 0 HD21 LEU A 9 1.900 -9.867 0.096 1.00 1.64 H new ATOM 0 HD22 LEU A 9 2.605 -8.404 -0.634 1.00 1.64 H new ATOM 0 HD23 LEU A 9 1.834 -9.631 -1.667 1.00 1.64 H new ATOM 136 N GLU A 10 5.388 -9.556 -5.403 1.00 0.67 N ATOM 137 CA GLU A 10 5.731 -8.927 -6.682 1.00 0.62 C ATOM 138 C GLU A 10 4.527 -8.927 -7.642 1.00 0.59 C ATOM 139 O GLU A 10 4.160 -7.874 -8.160 1.00 0.56 O ATOM 140 CB GLU A 10 6.966 -9.633 -7.248 1.00 0.76 C ATOM 141 CG GLU A 10 7.682 -9.073 -8.473 1.00 1.83 C ATOM 142 CD GLU A 10 8.937 -9.908 -8.744 1.00 1.83 C ATOM 143 OE1 GLU A 10 9.056 -10.994 -8.119 1.00 1.75 O ATOM 144 OE2 GLU A 10 9.751 -9.453 -9.572 1.00 3.17 O ATOM 0 H GLU A 10 6.062 -10.266 -5.116 1.00 0.67 H new ATOM 0 HA GLU A 10 5.978 -7.875 -6.539 1.00 0.62 H new ATOM 0 HB2 GLU A 10 7.700 -9.691 -6.444 1.00 0.76 H new ATOM 0 HB3 GLU A 10 6.672 -10.655 -7.486 1.00 0.76 H new ATOM 0 HG2 GLU A 10 7.020 -9.096 -9.339 1.00 1.83 H new ATOM 0 HG3 GLU A 10 7.953 -8.030 -8.307 1.00 1.83 H new ATOM 151 N GLU A 11 3.866 -10.078 -7.825 1.00 0.63 N ATOM 152 CA GLU A 11 2.628 -10.185 -8.590 1.00 0.63 C ATOM 153 C GLU A 11 1.622 -9.153 -8.063 1.00 0.66 C ATOM 154 O GLU A 11 1.049 -8.365 -8.819 1.00 0.67 O ATOM 155 CB GLU A 11 2.021 -11.597 -8.466 1.00 0.71 C ATOM 156 CG GLU A 11 2.946 -12.777 -8.838 1.00 1.97 C ATOM 157 CD GLU A 11 2.786 -13.309 -10.262 1.00 2.68 C ATOM 158 OE1 GLU A 11 1.804 -12.923 -10.931 1.00 2.28 O ATOM 159 OE2 GLU A 11 3.659 -14.115 -10.656 1.00 4.25 O ATOM 0 H GLU A 11 4.184 -10.967 -7.440 1.00 0.63 H new ATOM 0 HA GLU A 11 2.850 -9.997 -9.640 1.00 0.63 H new ATOM 0 HB2 GLU A 11 1.686 -11.736 -7.438 1.00 0.71 H new ATOM 0 HB3 GLU A 11 1.135 -11.645 -9.099 1.00 0.71 H new ATOM 0 HG2 GLU A 11 3.981 -12.464 -8.699 1.00 1.97 H new ATOM 0 HG3 GLU A 11 2.764 -13.594 -8.140 1.00 1.97 H new ATOM 166 N SER A 12 1.400 -9.163 -6.740 1.00 0.74 N ATOM 167 CA SER A 12 0.364 -8.322 -6.146 1.00 0.80 C ATOM 168 C SER A 12 0.658 -6.828 -6.348 1.00 0.71 C ATOM 169 O SER A 12 -0.242 -6.054 -6.674 1.00 0.83 O ATOM 170 CB SER A 12 0.099 -8.687 -4.677 1.00 0.90 C ATOM 171 OG SER A 12 1.084 -8.172 -3.807 1.00 1.81 O ATOM 0 H SER A 12 1.918 -9.737 -6.074 1.00 0.74 H new ATOM 0 HA SER A 12 -0.565 -8.525 -6.679 1.00 0.80 H new ATOM 0 HB2 SER A 12 -0.878 -8.305 -4.381 1.00 0.90 H new ATOM 0 HB3 SER A 12 0.061 -9.772 -4.576 1.00 0.90 H new ATOM 0 HG SER A 12 1.951 -8.161 -4.264 1.00 1.81 H new ATOM 177 N ILE A 13 1.916 -6.410 -6.172 1.00 0.57 N ATOM 178 CA ILE A 13 2.294 -5.019 -6.360 1.00 0.55 C ATOM 179 C ILE A 13 2.259 -4.653 -7.844 1.00 0.54 C ATOM 180 O ILE A 13 1.805 -3.559 -8.175 1.00 0.57 O ATOM 181 CB ILE A 13 3.564 -4.625 -5.574 1.00 0.55 C ATOM 182 CG1 ILE A 13 4.784 -5.513 -5.819 1.00 0.56 C ATOM 183 CG2 ILE A 13 3.197 -4.668 -4.082 1.00 0.60 C ATOM 184 CD1 ILE A 13 5.694 -4.963 -6.904 1.00 0.60 C ATOM 0 H ILE A 13 2.685 -7.022 -5.899 1.00 0.57 H new ATOM 0 HA ILE A 13 1.545 -4.376 -5.898 1.00 0.55 H new ATOM 0 HB ILE A 13 3.865 -3.636 -5.919 1.00 0.55 H new ATOM 0 HG12 ILE A 13 5.349 -5.613 -4.892 1.00 0.56 H new ATOM 0 HG13 ILE A 13 4.452 -6.512 -6.100 1.00 0.56 H new ATOM 0 HG21 ILE A 13 4.067 -4.396 -3.485 1.00 0.60 H new ATOM 0 HG22 ILE A 13 2.388 -3.964 -3.886 1.00 0.60 H new ATOM 0 HG23 ILE A 13 2.875 -5.675 -3.815 1.00 0.60 H new ATOM 0 HD11 ILE A 13 6.545 -5.631 -7.039 1.00 0.60 H new ATOM 0 HD12 ILE A 13 5.140 -4.888 -7.840 1.00 0.60 H new ATOM 0 HD13 ILE A 13 6.051 -3.975 -6.613 1.00 0.60 H new ATOM 196 N GLU A 14 2.635 -5.565 -8.749 1.00 0.53 N ATOM 197 CA GLU A 14 2.470 -5.322 -10.177 1.00 0.55 C ATOM 198 C GLU A 14 1.005 -4.991 -10.478 1.00 0.60 C ATOM 199 O GLU A 14 0.714 -3.919 -11.007 1.00 0.64 O ATOM 200 CB GLU A 14 2.987 -6.494 -11.026 1.00 0.63 C ATOM 201 CG GLU A 14 3.395 -6.031 -12.438 1.00 0.68 C ATOM 202 CD GLU A 14 2.271 -5.344 -13.211 1.00 1.77 C ATOM 203 OE1 GLU A 14 1.197 -5.972 -13.331 1.00 2.66 O ATOM 204 OE2 GLU A 14 2.493 -4.191 -13.638 1.00 2.62 O ATOM 0 H GLU A 14 3.051 -6.467 -8.516 1.00 0.53 H new ATOM 0 HA GLU A 14 3.081 -4.463 -10.455 1.00 0.55 H new ATOM 0 HB2 GLU A 14 3.843 -6.954 -10.531 1.00 0.63 H new ATOM 0 HB3 GLU A 14 2.214 -7.259 -11.102 1.00 0.63 H new ATOM 0 HG2 GLU A 14 4.238 -5.345 -12.356 1.00 0.68 H new ATOM 0 HG3 GLU A 14 3.740 -6.894 -13.007 1.00 0.68 H new ATOM 211 N THR A 15 0.066 -5.871 -10.103 1.00 0.64 N ATOM 212 CA THR A 15 -1.317 -5.689 -10.546 1.00 0.64 C ATOM 213 C THR A 15 -1.910 -4.339 -10.106 1.00 0.68 C ATOM 214 O THR A 15 -2.780 -3.801 -10.796 1.00 0.85 O ATOM 215 CB THR A 15 -2.219 -6.894 -10.230 1.00 0.70 C ATOM 216 OG1 THR A 15 -3.428 -6.786 -10.957 1.00 1.32 O ATOM 217 CG2 THR A 15 -2.560 -7.053 -8.751 1.00 0.97 C ATOM 0 H THR A 15 0.232 -6.688 -9.515 1.00 0.64 H new ATOM 0 HA THR A 15 -1.280 -5.647 -11.635 1.00 0.64 H new ATOM 0 HB THR A 15 -1.646 -7.775 -10.521 1.00 0.70 H new ATOM 0 HG1 THR A 15 -4.001 -7.555 -10.756 1.00 1.32 H new ATOM 0 HG21 THR A 15 -3.199 -7.926 -8.617 1.00 0.97 H new ATOM 0 HG22 THR A 15 -1.642 -7.184 -8.178 1.00 0.97 H new ATOM 0 HG23 THR A 15 -3.083 -6.163 -8.401 1.00 0.97 H new ATOM 225 N VAL A 16 -1.457 -3.766 -8.986 1.00 0.60 N ATOM 226 CA VAL A 16 -1.836 -2.402 -8.620 1.00 0.59 C ATOM 227 C VAL A 16 -0.998 -1.363 -9.374 1.00 0.57 C ATOM 228 O VAL A 16 -1.547 -0.350 -9.804 1.00 0.61 O ATOM 229 CB VAL A 16 -1.871 -2.173 -7.099 1.00 0.59 C ATOM 230 CG1 VAL A 16 -2.911 -3.090 -6.445 1.00 0.62 C ATOM 231 CG2 VAL A 16 -0.523 -2.369 -6.410 1.00 0.63 C ATOM 0 H VAL A 16 -0.832 -4.224 -8.323 1.00 0.60 H new ATOM 0 HA VAL A 16 -2.867 -2.262 -8.945 1.00 0.59 H new ATOM 0 HB VAL A 16 -2.143 -1.126 -6.967 1.00 0.59 H new ATOM 0 HG11 VAL A 16 -2.924 -2.916 -5.369 1.00 0.62 H new ATOM 0 HG12 VAL A 16 -3.896 -2.876 -6.859 1.00 0.62 H new ATOM 0 HG13 VAL A 16 -2.653 -4.131 -6.641 1.00 0.62 H new ATOM 0 HG21 VAL A 16 -0.632 -2.189 -5.340 1.00 0.63 H new ATOM 0 HG22 VAL A 16 -0.176 -3.389 -6.573 1.00 0.63 H new ATOM 0 HG23 VAL A 16 0.202 -1.668 -6.824 1.00 0.63 H new ATOM 241 N VAL A 17 0.308 -1.589 -9.565 1.00 0.53 N ATOM 242 CA VAL A 17 1.157 -0.702 -10.354 1.00 0.50 C ATOM 243 C VAL A 17 0.573 -0.497 -11.756 1.00 0.52 C ATOM 244 O VAL A 17 0.474 0.643 -12.202 1.00 0.53 O ATOM 245 CB VAL A 17 2.617 -1.192 -10.366 1.00 0.50 C ATOM 246 CG1 VAL A 17 3.468 -0.528 -11.458 1.00 0.53 C ATOM 247 CG2 VAL A 17 3.267 -0.883 -9.012 1.00 0.53 C ATOM 0 H VAL A 17 0.801 -2.393 -9.175 1.00 0.53 H new ATOM 0 HA VAL A 17 1.175 0.280 -9.881 1.00 0.50 H new ATOM 0 HB VAL A 17 2.583 -2.263 -10.568 1.00 0.50 H new ATOM 0 HG11 VAL A 17 4.485 -0.916 -11.413 1.00 0.53 H new ATOM 0 HG12 VAL A 17 3.039 -0.746 -12.436 1.00 0.53 H new ATOM 0 HG13 VAL A 17 3.484 0.551 -11.301 1.00 0.53 H new ATOM 0 HG21 VAL A 17 4.301 -1.229 -9.017 1.00 0.53 H new ATOM 0 HG22 VAL A 17 3.245 0.192 -8.835 1.00 0.53 H new ATOM 0 HG23 VAL A 17 2.718 -1.393 -8.220 1.00 0.53 H new ATOM 257 N THR A 18 0.152 -1.550 -12.457 1.00 0.54 N ATOM 258 CA THR A 18 -0.473 -1.364 -13.764 1.00 0.60 C ATOM 259 C THR A 18 -1.732 -0.484 -13.655 1.00 0.62 C ATOM 260 O THR A 18 -1.880 0.472 -14.422 1.00 0.64 O ATOM 261 CB THR A 18 -0.682 -2.705 -14.490 1.00 0.69 C ATOM 262 OG1 THR A 18 -1.208 -2.490 -15.785 1.00 0.79 O ATOM 263 CG2 THR A 18 -1.587 -3.674 -13.730 1.00 0.72 C ATOM 0 H THR A 18 0.230 -2.520 -12.150 1.00 0.54 H new ATOM 0 HA THR A 18 0.210 -0.809 -14.406 1.00 0.60 H new ATOM 0 HB THR A 18 0.303 -3.168 -14.553 1.00 0.69 H new ATOM 0 HG1 THR A 18 -1.334 -3.352 -16.234 1.00 0.79 H new ATOM 0 HG21 THR A 18 -1.690 -4.598 -14.299 1.00 0.72 H new ATOM 0 HG22 THR A 18 -1.148 -3.895 -12.757 1.00 0.72 H new ATOM 0 HG23 THR A 18 -2.569 -3.222 -13.591 1.00 0.72 H new ATOM 271 N THR A 19 -2.618 -0.755 -12.685 1.00 0.65 N ATOM 272 CA THR A 19 -3.836 0.011 -12.462 1.00 0.72 C ATOM 273 C THR A 19 -3.509 1.485 -12.165 1.00 0.77 C ATOM 274 O THR A 19 -4.179 2.386 -12.668 1.00 0.97 O ATOM 275 CB THR A 19 -4.653 -0.692 -11.361 1.00 0.73 C ATOM 276 OG1 THR A 19 -4.741 -2.068 -11.677 1.00 0.71 O ATOM 277 CG2 THR A 19 -6.091 -0.177 -11.265 1.00 0.83 C ATOM 0 H THR A 19 -2.499 -1.526 -12.028 1.00 0.65 H new ATOM 0 HA THR A 19 -4.453 0.040 -13.360 1.00 0.72 H new ATOM 0 HB THR A 19 -4.144 -0.498 -10.417 1.00 0.73 H new ATOM 0 HG1 THR A 19 -3.999 -2.549 -11.255 1.00 0.71 H new ATOM 0 HG21 THR A 19 -6.616 -0.710 -10.472 1.00 0.83 H new ATOM 0 HG22 THR A 19 -6.081 0.890 -11.041 1.00 0.83 H new ATOM 0 HG23 THR A 19 -6.601 -0.344 -12.214 1.00 0.83 H new ATOM 285 N PHE A 20 -2.446 1.742 -11.395 1.00 0.66 N ATOM 286 CA PHE A 20 -1.877 3.076 -11.227 1.00 0.66 C ATOM 287 C PHE A 20 -1.500 3.651 -12.596 1.00 0.59 C ATOM 288 O PHE A 20 -2.026 4.681 -13.007 1.00 0.60 O ATOM 289 CB PHE A 20 -0.664 3.018 -10.268 1.00 0.71 C ATOM 290 CG PHE A 20 0.482 3.969 -10.579 1.00 1.29 C ATOM 291 CD1 PHE A 20 0.332 5.354 -10.384 1.00 2.15 C ATOM 292 CD2 PHE A 20 1.651 3.484 -11.196 1.00 2.73 C ATOM 293 CE1 PHE A 20 1.316 6.244 -10.851 1.00 2.96 C ATOM 294 CE2 PHE A 20 2.583 4.375 -11.750 1.00 3.64 C ATOM 295 CZ PHE A 20 2.398 5.758 -11.604 1.00 3.41 C ATOM 0 H PHE A 20 -1.955 1.020 -10.868 1.00 0.66 H new ATOM 0 HA PHE A 20 -2.616 3.740 -10.778 1.00 0.66 H new ATOM 0 HB2 PHE A 20 -1.016 3.224 -9.257 1.00 0.71 H new ATOM 0 HB3 PHE A 20 -0.275 2.000 -10.269 1.00 0.71 H new ATOM 0 HD1 PHE A 20 -0.541 5.735 -9.875 1.00 2.15 H new ATOM 0 HD2 PHE A 20 1.831 2.420 -11.243 1.00 2.73 H new ATOM 0 HE1 PHE A 20 1.240 7.299 -10.631 1.00 2.96 H new ATOM 0 HE2 PHE A 20 3.440 3.997 -12.287 1.00 3.64 H new ATOM 0 HZ PHE A 20 3.086 6.448 -12.070 1.00 3.41 H new ATOM 305 N PHE A 21 -0.589 2.984 -13.304 1.00 0.58 N ATOM 306 CA PHE A 21 0.112 3.541 -14.450 1.00 0.63 C ATOM 307 C PHE A 21 -0.867 3.893 -15.565 1.00 0.65 C ATOM 308 O PHE A 21 -0.812 4.990 -16.125 1.00 0.72 O ATOM 309 CB PHE A 21 1.184 2.543 -14.910 1.00 0.72 C ATOM 310 CG PHE A 21 2.239 3.076 -15.868 1.00 0.98 C ATOM 311 CD1 PHE A 21 3.105 4.104 -15.446 1.00 2.08 C ATOM 312 CD2 PHE A 21 2.554 2.344 -17.031 1.00 2.25 C ATOM 313 CE1 PHE A 21 4.329 4.314 -16.104 1.00 2.48 C ATOM 314 CE2 PHE A 21 3.768 2.572 -17.705 1.00 2.78 C ATOM 315 CZ PHE A 21 4.674 3.529 -17.217 1.00 2.34 C ATOM 0 H PHE A 21 -0.316 2.025 -13.090 1.00 0.58 H new ATOM 0 HA PHE A 21 0.606 4.471 -14.169 1.00 0.63 H new ATOM 0 HB2 PHE A 21 1.690 2.154 -14.026 1.00 0.72 H new ATOM 0 HB3 PHE A 21 0.684 1.700 -15.387 1.00 0.72 H new ATOM 0 HD1 PHE A 21 2.827 4.733 -14.613 1.00 2.08 H new ATOM 0 HD2 PHE A 21 1.861 1.605 -17.406 1.00 2.25 H new ATOM 0 HE1 PHE A 21 5.005 5.080 -15.754 1.00 2.48 H new ATOM 0 HE2 PHE A 21 4.004 2.011 -18.598 1.00 2.78 H new ATOM 0 HZ PHE A 21 5.633 3.661 -17.696 1.00 2.34 H new ATOM 325 N THR A 22 -1.791 2.974 -15.860 1.00 0.67 N ATOM 326 CA THR A 22 -2.797 3.187 -16.891 1.00 0.77 C ATOM 327 C THR A 22 -3.661 4.414 -16.569 1.00 0.78 C ATOM 328 O THR A 22 -4.051 5.143 -17.478 1.00 0.95 O ATOM 329 CB THR A 22 -3.602 1.897 -17.135 1.00 0.87 C ATOM 330 OG1 THR A 22 -4.272 1.955 -18.377 1.00 1.72 O ATOM 331 CG2 THR A 22 -4.634 1.611 -16.044 1.00 1.99 C ATOM 0 H THR A 22 -1.858 2.070 -15.392 1.00 0.67 H new ATOM 0 HA THR A 22 -2.306 3.417 -17.836 1.00 0.77 H new ATOM 0 HB THR A 22 -2.870 1.089 -17.127 1.00 0.87 H new ATOM 0 HG1 THR A 22 -4.777 1.126 -18.515 1.00 1.72 H new ATOM 0 HG21 THR A 22 -5.165 0.688 -16.278 1.00 1.99 H new ATOM 0 HG22 THR A 22 -4.129 1.505 -15.084 1.00 1.99 H new ATOM 0 HG23 THR A 22 -5.345 2.435 -15.991 1.00 1.99 H new ATOM 339 N PHE A 23 -3.918 4.686 -15.284 1.00 0.75 N ATOM 340 CA PHE A 23 -4.607 5.902 -14.869 1.00 0.80 C ATOM 341 C PHE A 23 -3.675 7.111 -14.912 1.00 0.79 C ATOM 342 O PHE A 23 -4.067 8.190 -15.325 1.00 0.94 O ATOM 343 CB PHE A 23 -5.199 5.743 -13.460 1.00 0.85 C ATOM 344 CG PHE A 23 -6.684 5.463 -13.457 1.00 0.93 C ATOM 345 CD1 PHE A 23 -7.557 6.416 -14.011 1.00 2.31 C ATOM 346 CD2 PHE A 23 -7.203 4.288 -12.883 1.00 1.82 C ATOM 347 CE1 PHE A 23 -8.938 6.186 -14.009 1.00 2.76 C ATOM 348 CE2 PHE A 23 -8.596 4.104 -12.802 1.00 2.19 C ATOM 349 CZ PHE A 23 -9.464 5.072 -13.337 1.00 2.17 C ATOM 0 H PHE A 23 -3.655 4.072 -14.513 1.00 0.75 H new ATOM 0 HA PHE A 23 -5.421 6.072 -15.574 1.00 0.80 H new ATOM 0 HB2 PHE A 23 -4.683 4.931 -12.948 1.00 0.85 H new ATOM 0 HB3 PHE A 23 -5.008 6.652 -12.890 1.00 0.85 H new ATOM 0 HD1 PHE A 23 -7.162 7.326 -14.438 1.00 2.31 H new ATOM 0 HD2 PHE A 23 -6.534 3.529 -12.505 1.00 1.82 H new ATOM 0 HE1 PHE A 23 -9.599 6.866 -14.525 1.00 2.76 H new ATOM 0 HE2 PHE A 23 -8.998 3.220 -12.329 1.00 2.19 H new ATOM 0 HZ PHE A 23 -10.533 4.959 -13.231 1.00 2.17 H new ATOM 359 N ALA A 24 -2.434 6.956 -14.470 1.00 0.71 N ATOM 360 CA ALA A 24 -1.484 8.030 -14.231 1.00 0.79 C ATOM 361 C ALA A 24 -1.194 8.818 -15.506 1.00 0.88 C ATOM 362 O ALA A 24 -0.796 9.988 -15.429 1.00 0.99 O ATOM 363 CB ALA A 24 -0.206 7.439 -13.636 1.00 0.78 C ATOM 0 H ALA A 24 -2.047 6.036 -14.259 1.00 0.71 H new ATOM 0 HA ALA A 24 -1.916 8.737 -13.523 1.00 0.79 H new ATOM 0 HB1 ALA A 24 0.513 8.237 -13.453 1.00 0.78 H new ATOM 0 HB2 ALA A 24 -0.440 6.939 -12.696 1.00 0.78 H new ATOM 0 HB3 ALA A 24 0.221 6.719 -14.334 1.00 0.78 H new ATOM 369 N ARG A 25 -1.366 8.163 -16.657 1.00 0.89 N ATOM 370 CA ARG A 25 -1.227 8.755 -17.974 1.00 1.01 C ATOM 371 C ARG A 25 -2.360 9.725 -18.326 1.00 1.06 C ATOM 372 O ARG A 25 -2.137 10.548 -19.210 1.00 1.21 O ATOM 373 CB ARG A 25 -1.108 7.636 -19.024 1.00 1.07 C ATOM 374 CG ARG A 25 -2.464 6.990 -19.351 1.00 1.47 C ATOM 375 CD ARG A 25 -3.118 7.593 -20.607 1.00 2.13 C ATOM 376 NE ARG A 25 -4.589 7.535 -20.539 1.00 2.69 N ATOM 377 CZ ARG A 25 -5.416 7.899 -21.533 1.00 3.23 C ATOM 378 NH1 ARG A 25 -4.921 8.303 -22.707 1.00 3.62 N ATOM 379 NH2 ARG A 25 -6.736 7.866 -21.337 1.00 3.96 N ATOM 0 H ARG A 25 -1.614 7.174 -16.690 1.00 0.89 H new ATOM 0 HA ARG A 25 -0.318 9.357 -17.969 1.00 1.01 H new ATOM 0 HB2 ARG A 25 -0.674 8.043 -19.937 1.00 1.07 H new ATOM 0 HB3 ARG A 25 -0.423 6.871 -18.659 1.00 1.07 H new ATOM 0 HG2 ARG A 25 -2.326 5.918 -19.496 1.00 1.47 H new ATOM 0 HG3 ARG A 25 -3.136 7.113 -18.501 1.00 1.47 H new ATOM 0 HD2 ARG A 25 -2.800 8.629 -20.721 1.00 2.13 H new ATOM 0 HD3 ARG A 25 -2.773 7.055 -21.490 1.00 2.13 H new ATOM 0 HE ARG A 25 -5.010 7.194 -19.675 1.00 2.69 H new ATOM 0 HH11 ARG A 25 -3.912 8.336 -22.851 1.00 3.62 H new ATOM 0 HH12 ARG A 25 -5.553 8.578 -23.459 1.00 3.62 H new ATOM 0 HH21 ARG A 25 -7.111 7.566 -20.437 1.00 3.96 H new ATOM 0 HH22 ARG A 25 -7.370 8.141 -22.087 1.00 3.96 H new ATOM 393 N GLN A 26 -3.561 9.591 -17.735 1.00 0.97 N ATOM 394 CA GLN A 26 -4.763 10.286 -18.195 1.00 0.98 C ATOM 395 C GLN A 26 -4.496 11.750 -18.524 1.00 1.06 C ATOM 396 O GLN A 26 -4.791 12.222 -19.620 1.00 1.17 O ATOM 397 CB GLN A 26 -5.850 10.215 -17.115 1.00 0.88 C ATOM 398 CG GLN A 26 -7.214 9.902 -17.687 1.00 0.96 C ATOM 399 CD GLN A 26 -7.403 8.399 -17.889 1.00 1.06 C ATOM 400 OE1 GLN A 26 -6.708 7.782 -18.698 1.00 1.53 O ATOM 401 NE2 GLN A 26 -8.334 7.784 -17.173 1.00 1.69 N ATOM 0 H GLN A 26 -3.719 8.994 -16.923 1.00 0.97 H new ATOM 0 HA GLN A 26 -5.091 9.787 -19.107 1.00 0.98 H new ATOM 0 HB2 GLN A 26 -5.582 9.452 -16.384 1.00 0.88 H new ATOM 0 HB3 GLN A 26 -5.892 11.165 -16.583 1.00 0.88 H new ATOM 0 HG2 GLN A 26 -7.986 10.281 -17.018 1.00 0.96 H new ATOM 0 HG3 GLN A 26 -7.338 10.417 -18.640 1.00 0.96 H new ATOM 0 HE21 GLN A 26 -8.899 8.313 -16.509 1.00 1.69 H new ATOM 0 HE22 GLN A 26 -8.486 6.782 -17.287 1.00 1.69 H new ATOM 410 N GLU A 27 -3.924 12.433 -17.537 1.00 1.07 N ATOM 411 CA GLU A 27 -3.487 13.810 -17.601 1.00 1.22 C ATOM 412 C GLU A 27 -2.011 13.812 -17.219 1.00 1.23 C ATOM 413 O GLU A 27 -1.509 12.803 -16.716 1.00 1.50 O ATOM 414 CB GLU A 27 -4.311 14.644 -16.611 1.00 1.29 C ATOM 415 CG GLU A 27 -5.823 14.555 -16.872 1.00 1.31 C ATOM 416 CD GLU A 27 -6.597 15.519 -15.978 1.00 1.79 C ATOM 417 OE1 GLU A 27 -6.015 15.951 -14.955 1.00 2.70 O ATOM 418 OE2 GLU A 27 -7.761 15.810 -16.317 1.00 2.46 O ATOM 0 H GLU A 27 -3.747 12.011 -16.625 1.00 1.07 H new ATOM 0 HA GLU A 27 -3.623 14.240 -18.593 1.00 1.22 H new ATOM 0 HB2 GLU A 27 -4.102 14.306 -15.596 1.00 1.29 H new ATOM 0 HB3 GLU A 27 -3.997 15.686 -16.671 1.00 1.29 H new ATOM 0 HG2 GLU A 27 -6.028 14.782 -17.918 1.00 1.31 H new ATOM 0 HG3 GLU A 27 -6.166 13.536 -16.694 1.00 1.31 H new ATOM 425 N GLY A 28 -1.337 14.953 -17.391 1.00 1.64 N ATOM 426 CA GLY A 28 0.061 15.219 -17.057 1.00 1.86 C ATOM 427 C GLY A 28 0.786 14.117 -16.269 1.00 1.63 C ATOM 428 O GLY A 28 0.370 13.775 -15.151 1.00 1.77 O ATOM 0 H GLY A 28 -1.789 15.773 -17.797 1.00 1.64 H new ATOM 0 HA2 GLY A 28 0.608 15.396 -17.983 1.00 1.86 H new ATOM 0 HA3 GLY A 28 0.107 16.142 -16.479 1.00 1.86 H new ATOM 432 N ARG A 29 1.854 13.568 -16.863 1.00 1.45 N ATOM 433 CA ARG A 29 2.924 12.847 -16.180 1.00 1.46 C ATOM 434 C ARG A 29 2.472 11.593 -15.412 1.00 1.57 C ATOM 435 O ARG A 29 1.829 11.682 -14.363 1.00 1.67 O ATOM 436 CB ARG A 29 3.789 13.810 -15.355 1.00 1.63 C ATOM 437 CG ARG A 29 4.586 14.757 -16.267 1.00 1.77 C ATOM 438 CD ARG A 29 5.521 15.660 -15.450 1.00 2.35 C ATOM 439 NE ARG A 29 6.567 14.893 -14.748 1.00 3.56 N ATOM 440 CZ ARG A 29 7.699 14.423 -15.300 1.00 4.65 C ATOM 441 NH1 ARG A 29 7.938 14.614 -16.602 1.00 4.93 N ATOM 442 NH2 ARG A 29 8.585 13.758 -14.549 1.00 6.19 N ATOM 0 H ARG A 29 1.997 13.619 -17.872 1.00 1.45 H new ATOM 0 HA ARG A 29 3.559 12.427 -16.960 1.00 1.46 H new ATOM 0 HB2 ARG A 29 3.154 14.392 -14.687 1.00 1.63 H new ATOM 0 HB3 ARG A 29 4.475 13.241 -14.728 1.00 1.63 H new ATOM 0 HG2 ARG A 29 5.170 14.174 -16.979 1.00 1.77 H new ATOM 0 HG3 ARG A 29 3.898 15.372 -16.847 1.00 1.77 H new ATOM 0 HD2 ARG A 29 5.990 16.388 -16.112 1.00 2.35 H new ATOM 0 HD3 ARG A 29 4.935 16.222 -14.722 1.00 2.35 H new ATOM 0 HE ARG A 29 6.418 14.703 -13.757 1.00 3.56 H new ATOM 0 HH11 ARG A 29 7.261 15.116 -17.176 1.00 4.93 H new ATOM 0 HH12 ARG A 29 8.797 14.257 -17.021 1.00 4.93 H new ATOM 0 HH21 ARG A 29 8.402 13.607 -13.557 1.00 6.19 H new ATOM 0 HH22 ARG A 29 9.444 13.402 -14.969 1.00 6.19 H new ATOM 456 N LYS A 30 2.764 10.409 -15.964 1.00 1.70 N ATOM 457 CA LYS A 30 2.461 9.115 -15.355 1.00 1.93 C ATOM 458 C LYS A 30 3.363 8.777 -14.148 1.00 1.97 C ATOM 459 O LYS A 30 4.057 7.763 -14.129 1.00 2.15 O ATOM 460 CB LYS A 30 2.389 8.015 -16.426 1.00 2.12 C ATOM 461 CG LYS A 30 3.666 7.802 -17.252 1.00 2.00 C ATOM 462 CD LYS A 30 3.364 6.777 -18.354 1.00 2.42 C ATOM 463 CE LYS A 30 4.628 6.444 -19.160 1.00 2.82 C ATOM 464 NZ LYS A 30 4.379 5.368 -20.142 1.00 3.94 N ATOM 0 H LYS A 30 3.229 10.326 -16.868 1.00 1.70 H new ATOM 0 HA LYS A 30 1.467 9.181 -14.912 1.00 1.93 H new ATOM 0 HB2 LYS A 30 2.134 7.075 -15.937 1.00 2.12 H new ATOM 0 HB3 LYS A 30 1.573 8.251 -17.108 1.00 2.12 H new ATOM 0 HG2 LYS A 30 3.996 8.744 -17.690 1.00 2.00 H new ATOM 0 HG3 LYS A 30 4.475 7.446 -16.614 1.00 2.00 H new ATOM 0 HD2 LYS A 30 2.963 5.867 -17.908 1.00 2.42 H new ATOM 0 HD3 LYS A 30 2.597 7.171 -19.021 1.00 2.42 H new ATOM 0 HE2 LYS A 30 4.975 7.338 -19.679 1.00 2.82 H new ATOM 0 HE3 LYS A 30 5.424 6.140 -18.480 1.00 2.82 H new ATOM 0 HZ1 LYS A 30 5.121 5.384 -20.870 1.00 3.94 H new ATOM 0 HZ2 LYS A 30 4.389 4.447 -19.658 1.00 3.94 H new ATOM 0 HZ3 LYS A 30 3.452 5.514 -20.589 1.00 3.94 H new ATOM 478 N ASP A 31 3.282 9.633 -13.128 1.00 1.95 N ATOM 479 CA ASP A 31 3.797 9.492 -11.758 1.00 2.11 C ATOM 480 C ASP A 31 2.802 10.253 -10.867 1.00 1.89 C ATOM 481 O ASP A 31 2.261 9.720 -9.902 1.00 2.03 O ATOM 482 CB ASP A 31 5.245 10.011 -11.632 1.00 2.48 C ATOM 483 CG ASP A 31 5.830 9.804 -10.236 1.00 3.92 C ATOM 484 OD1 ASP A 31 5.296 10.417 -9.288 1.00 4.81 O ATOM 485 OD2 ASP A 31 6.821 9.046 -10.098 1.00 4.88 O ATOM 0 H ASP A 31 2.810 10.529 -13.248 1.00 1.95 H new ATOM 0 HA ASP A 31 3.864 8.448 -11.453 1.00 2.11 H new ATOM 0 HB2 ASP A 31 5.873 9.502 -12.363 1.00 2.48 H new ATOM 0 HB3 ASP A 31 5.268 11.073 -11.876 1.00 2.48 H new ATOM 490 N SER A 32 2.482 11.476 -11.296 1.00 1.66 N ATOM 491 CA SER A 32 1.507 12.393 -10.740 1.00 1.40 C ATOM 492 C SER A 32 0.091 12.051 -11.219 1.00 1.12 C ATOM 493 O SER A 32 -0.217 12.170 -12.416 1.00 1.15 O ATOM 494 CB SER A 32 1.902 13.781 -11.257 1.00 1.26 C ATOM 495 OG SER A 32 2.466 13.657 -12.551 1.00 1.64 O ATOM 0 H SER A 32 2.944 11.877 -12.113 1.00 1.66 H new ATOM 0 HA SER A 32 1.500 12.341 -9.651 1.00 1.40 H new ATOM 0 HB2 SER A 32 1.028 14.432 -11.290 1.00 1.26 H new ATOM 0 HB3 SER A 32 2.619 14.244 -10.578 1.00 1.26 H new ATOM 0 HG SER A 32 1.931 13.031 -13.082 1.00 1.64 H new ATOM 501 N LEU A 33 -0.794 11.690 -10.284 1.00 0.94 N ATOM 502 CA LEU A 33 -2.227 11.659 -10.530 1.00 0.80 C ATOM 503 C LEU A 33 -2.845 13.021 -10.206 1.00 0.85 C ATOM 504 O LEU A 33 -2.585 13.593 -9.155 1.00 1.12 O ATOM 505 CB LEU A 33 -2.919 10.515 -9.773 1.00 0.78 C ATOM 506 CG LEU A 33 -2.849 9.213 -10.580 1.00 0.80 C ATOM 507 CD1 LEU A 33 -1.480 8.541 -10.469 1.00 2.30 C ATOM 508 CD2 LEU A 33 -3.951 8.232 -10.176 1.00 2.24 C ATOM 0 H LEU A 33 -0.531 11.413 -9.338 1.00 0.94 H new ATOM 0 HA LEU A 33 -2.386 11.457 -11.589 1.00 0.80 H new ATOM 0 HB2 LEU A 33 -2.443 10.374 -8.803 1.00 0.78 H new ATOM 0 HB3 LEU A 33 -3.960 10.775 -9.582 1.00 0.78 H new ATOM 0 HG LEU A 33 -3.005 9.493 -11.622 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -1.477 7.623 -11.056 1.00 2.30 H new ATOM 0 HD12 LEU A 33 -0.712 9.216 -10.846 1.00 2.30 H new ATOM 0 HD13 LEU A 33 -1.274 8.305 -9.425 1.00 2.30 H new ATOM 0 HD21 LEU A 33 -3.865 7.323 -10.772 1.00 2.24 H new ATOM 0 HD22 LEU A 33 -3.848 7.984 -9.119 1.00 2.24 H new ATOM 0 HD23 LEU A 33 -4.926 8.688 -10.349 1.00 2.24 H new ATOM 520 N SER A 34 -3.671 13.525 -11.115 1.00 0.84 N ATOM 521 CA SER A 34 -4.432 14.753 -10.973 1.00 0.94 C ATOM 522 C SER A 34 -5.705 14.470 -10.170 1.00 0.93 C ATOM 523 O SER A 34 -6.024 13.320 -9.856 1.00 0.94 O ATOM 524 CB SER A 34 -4.783 15.237 -12.388 1.00 1.26 C ATOM 525 OG SER A 34 -5.672 16.335 -12.400 1.00 2.46 O ATOM 0 H SER A 34 -3.833 13.065 -12.011 1.00 0.84 H new ATOM 0 HA SER A 34 -3.861 15.517 -10.445 1.00 0.94 H new ATOM 0 HB2 SER A 34 -3.866 15.516 -12.907 1.00 1.26 H new ATOM 0 HB3 SER A 34 -5.227 14.413 -12.946 1.00 1.26 H new ATOM 0 HG SER A 34 -6.121 16.383 -13.270 1.00 2.46 H new ATOM 531 N VAL A 35 -6.449 15.536 -9.867 1.00 0.99 N ATOM 532 CA VAL A 35 -7.766 15.442 -9.252 1.00 0.97 C ATOM 533 C VAL A 35 -8.652 14.541 -10.114 1.00 0.86 C ATOM 534 O VAL A 35 -9.313 13.648 -9.590 1.00 0.83 O ATOM 535 CB VAL A 35 -8.381 16.842 -9.068 1.00 1.10 C ATOM 536 CG1 VAL A 35 -9.741 16.749 -8.359 1.00 2.18 C ATOM 537 CG2 VAL A 35 -7.457 17.741 -8.237 1.00 1.84 C ATOM 0 H VAL A 35 -6.148 16.494 -10.045 1.00 0.99 H new ATOM 0 HA VAL A 35 -7.681 15.001 -8.259 1.00 0.97 H new ATOM 0 HB VAL A 35 -8.512 17.273 -10.061 1.00 1.10 H new ATOM 0 HG11 VAL A 35 -10.158 17.749 -8.239 1.00 2.18 H new ATOM 0 HG12 VAL A 35 -10.421 16.141 -8.955 1.00 2.18 H new ATOM 0 HG13 VAL A 35 -9.610 16.291 -7.379 1.00 2.18 H new ATOM 0 HG21 VAL A 35 -7.914 18.724 -8.121 1.00 1.84 H new ATOM 0 HG22 VAL A 35 -7.302 17.295 -7.255 1.00 1.84 H new ATOM 0 HG23 VAL A 35 -6.498 17.844 -8.744 1.00 1.84 H new ATOM 547 N ASN A 36 -8.636 14.766 -11.435 1.00 0.93 N ATOM 548 CA ASN A 36 -9.371 13.945 -12.391 1.00 1.04 C ATOM 549 C ASN A 36 -8.985 12.476 -12.220 1.00 0.98 C ATOM 550 O ASN A 36 -9.818 11.662 -11.833 1.00 0.92 O ATOM 551 CB ASN A 36 -9.052 14.420 -13.816 1.00 1.53 C ATOM 552 CG ASN A 36 -9.409 13.360 -14.856 1.00 2.13 C ATOM 553 OD1 ASN A 36 -8.532 12.658 -15.352 1.00 4.05 O ATOM 554 ND2 ASN A 36 -10.697 13.184 -15.128 1.00 1.48 N ATOM 0 H ASN A 36 -8.110 15.526 -11.866 1.00 0.93 H new ATOM 0 HA ASN A 36 -10.442 14.044 -12.212 1.00 1.04 H new ATOM 0 HB2 ASN A 36 -9.603 15.337 -14.026 1.00 1.53 H new ATOM 0 HB3 ASN A 36 -7.992 14.661 -13.891 1.00 1.53 H new ATOM 0 HD21 ASN A 36 -10.987 12.445 -15.769 1.00 1.48 H new ATOM 0 HD22 ASN A 36 -11.397 13.788 -14.696 1.00 1.48 H new ATOM 561 N GLU A 37 -7.707 12.163 -12.448 1.00 1.10 N ATOM 562 CA GLU A 37 -7.167 10.812 -12.389 1.00 1.12 C ATOM 563 C GLU A 37 -7.578 10.119 -11.094 1.00 1.01 C ATOM 564 O GLU A 37 -8.046 8.981 -11.103 1.00 1.05 O ATOM 565 CB GLU A 37 -5.641 10.893 -12.512 1.00 1.25 C ATOM 566 CG GLU A 37 -5.277 11.151 -13.976 1.00 0.84 C ATOM 567 CD GLU A 37 -3.859 11.632 -14.243 1.00 0.85 C ATOM 568 OE1 GLU A 37 -3.262 12.453 -13.516 1.00 1.96 O ATOM 569 OE2 GLU A 37 -3.203 11.186 -15.201 1.00 1.45 O ATOM 0 H GLU A 37 -7.005 12.864 -12.685 1.00 1.10 H new ATOM 0 HA GLU A 37 -7.568 10.218 -13.211 1.00 1.12 H new ATOM 0 HB2 GLU A 37 -5.253 11.692 -11.880 1.00 1.25 H new ATOM 0 HB3 GLU A 37 -5.185 9.965 -12.168 1.00 1.25 H new ATOM 0 HG2 GLU A 37 -5.437 10.229 -14.536 1.00 0.84 H new ATOM 0 HG3 GLU A 37 -5.970 11.891 -14.376 1.00 0.84 H new ATOM 576 N PHE A 38 -7.397 10.814 -9.972 1.00 0.93 N ATOM 577 CA PHE A 38 -7.780 10.276 -8.685 1.00 0.89 C ATOM 578 C PHE A 38 -9.292 10.012 -8.639 1.00 0.82 C ATOM 579 O PHE A 38 -9.715 8.888 -8.364 1.00 0.82 O ATOM 580 CB PHE A 38 -7.308 11.220 -7.574 1.00 0.91 C ATOM 581 CG PHE A 38 -7.657 10.799 -6.158 1.00 1.10 C ATOM 582 CD1 PHE A 38 -7.847 9.441 -5.824 1.00 2.26 C ATOM 583 CD2 PHE A 38 -7.864 11.788 -5.180 1.00 2.18 C ATOM 584 CE1 PHE A 38 -8.321 9.090 -4.551 1.00 2.71 C ATOM 585 CE2 PHE A 38 -8.318 11.428 -3.902 1.00 2.70 C ATOM 586 CZ PHE A 38 -8.520 10.077 -3.577 1.00 2.43 C ATOM 0 H PHE A 38 -6.988 11.748 -9.937 1.00 0.93 H new ATOM 0 HA PHE A 38 -7.294 9.313 -8.526 1.00 0.89 H new ATOM 0 HB2 PHE A 38 -6.225 11.323 -7.646 1.00 0.91 H new ATOM 0 HB3 PHE A 38 -7.735 12.206 -7.755 1.00 0.91 H new ATOM 0 HD1 PHE A 38 -7.627 8.671 -6.549 1.00 2.26 H new ATOM 0 HD2 PHE A 38 -7.673 12.825 -5.413 1.00 2.18 H new ATOM 0 HE1 PHE A 38 -8.533 8.056 -4.321 1.00 2.71 H new ATOM 0 HE2 PHE A 38 -8.513 12.193 -3.165 1.00 2.70 H new ATOM 0 HZ PHE A 38 -8.828 9.800 -2.580 1.00 2.43 H new ATOM 596 N LYS A 39 -10.122 11.026 -8.906 1.00 0.81 N ATOM 597 CA LYS A 39 -11.564 10.881 -8.761 1.00 0.82 C ATOM 598 C LYS A 39 -12.104 9.775 -9.675 1.00 0.80 C ATOM 599 O LYS A 39 -12.974 9.001 -9.267 1.00 0.81 O ATOM 600 CB LYS A 39 -12.290 12.226 -8.919 1.00 0.89 C ATOM 601 CG LYS A 39 -13.699 12.175 -8.295 1.00 1.00 C ATOM 602 CD LYS A 39 -14.199 13.589 -7.928 1.00 1.30 C ATOM 603 CE LYS A 39 -15.437 13.506 -7.020 1.00 1.53 C ATOM 604 NZ LYS A 39 -15.728 14.761 -6.283 1.00 2.86 N ATOM 0 H LYS A 39 -9.818 11.947 -9.221 1.00 0.81 H new ATOM 0 HA LYS A 39 -11.775 10.558 -7.742 1.00 0.82 H new ATOM 0 HB2 LYS A 39 -11.707 13.015 -8.444 1.00 0.89 H new ATOM 0 HB3 LYS A 39 -12.367 12.479 -9.976 1.00 0.89 H new ATOM 0 HG2 LYS A 39 -14.393 11.711 -8.996 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -13.682 11.549 -7.403 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -13.407 14.141 -7.422 1.00 1.30 H new ATOM 0 HD3 LYS A 39 -14.443 14.141 -8.835 1.00 1.30 H new ATOM 0 HE2 LYS A 39 -16.304 13.243 -7.627 1.00 1.53 H new ATOM 0 HE3 LYS A 39 -15.295 12.699 -6.301 1.00 1.53 H new ATOM 0 HZ1 LYS A 39 -16.511 14.599 -5.618 1.00 2.86 H new ATOM 0 HZ2 LYS A 39 -14.882 15.058 -5.756 1.00 2.86 H new ATOM 0 HZ3 LYS A 39 -15.995 15.506 -6.958 1.00 2.86 H new ATOM 618 N GLU A 40 -11.564 9.659 -10.890 1.00 0.82 N ATOM 619 CA GLU A 40 -11.909 8.577 -11.796 1.00 0.82 C ATOM 620 C GLU A 40 -11.705 7.197 -11.152 1.00 0.77 C ATOM 621 O GLU A 40 -12.492 6.295 -11.424 1.00 0.78 O ATOM 622 CB GLU A 40 -11.144 8.691 -13.121 1.00 0.85 C ATOM 623 CG GLU A 40 -11.628 9.866 -13.983 1.00 0.96 C ATOM 624 CD GLU A 40 -10.910 9.927 -15.328 1.00 1.55 C ATOM 625 OE1 GLU A 40 -9.978 9.118 -15.531 1.00 2.55 O ATOM 626 OE2 GLU A 40 -11.313 10.787 -16.140 1.00 1.94 O ATOM 0 H GLU A 40 -10.878 10.313 -11.267 1.00 0.82 H new ATOM 0 HA GLU A 40 -12.972 8.674 -12.015 1.00 0.82 H new ATOM 0 HB2 GLU A 40 -10.081 8.811 -12.913 1.00 0.85 H new ATOM 0 HB3 GLU A 40 -11.256 7.763 -13.682 1.00 0.85 H new ATOM 0 HG2 GLU A 40 -12.701 9.774 -14.150 1.00 0.96 H new ATOM 0 HG3 GLU A 40 -11.468 10.800 -13.444 1.00 0.96 H new ATOM 633 N LEU A 41 -10.705 7.011 -10.285 1.00 0.79 N ATOM 634 CA LEU A 41 -10.443 5.707 -9.683 1.00 0.80 C ATOM 635 C LEU A 41 -11.644 5.322 -8.827 1.00 0.79 C ATOM 636 O LEU A 41 -12.259 4.269 -9.014 1.00 0.82 O ATOM 637 CB LEU A 41 -9.152 5.778 -8.847 1.00 0.92 C ATOM 638 CG LEU A 41 -8.631 4.457 -8.248 1.00 1.03 C ATOM 639 CD1 LEU A 41 -9.536 3.819 -7.189 1.00 2.69 C ATOM 640 CD2 LEU A 41 -8.261 3.435 -9.325 1.00 1.59 C ATOM 0 H LEU A 41 -10.066 7.748 -9.987 1.00 0.79 H new ATOM 0 HA LEU A 41 -10.300 4.946 -10.450 1.00 0.80 H new ATOM 0 HB2 LEU A 41 -8.366 6.199 -9.474 1.00 0.92 H new ATOM 0 HB3 LEU A 41 -9.317 6.479 -8.029 1.00 0.92 H new ATOM 0 HG LEU A 41 -7.726 4.756 -7.719 1.00 1.03 H new ATOM 0 HD11 LEU A 41 -9.081 2.896 -6.830 1.00 2.69 H new ATOM 0 HD12 LEU A 41 -9.662 4.509 -6.355 1.00 2.69 H new ATOM 0 HD13 LEU A 41 -10.509 3.598 -7.627 1.00 2.69 H new ATOM 0 HD21 LEU A 41 -7.900 2.522 -8.852 1.00 1.59 H new ATOM 0 HD22 LEU A 41 -9.140 3.208 -9.928 1.00 1.59 H new ATOM 0 HD23 LEU A 41 -7.479 3.846 -9.964 1.00 1.59 H new ATOM 652 N VAL A 42 -11.979 6.212 -7.891 1.00 0.83 N ATOM 653 CA VAL A 42 -12.989 5.959 -6.878 1.00 0.88 C ATOM 654 C VAL A 42 -14.355 5.827 -7.544 1.00 0.90 C ATOM 655 O VAL A 42 -15.163 4.980 -7.170 1.00 1.04 O ATOM 656 CB VAL A 42 -12.953 7.035 -5.776 1.00 0.94 C ATOM 657 CG1 VAL A 42 -11.745 6.843 -4.844 1.00 1.06 C ATOM 658 CG2 VAL A 42 -12.971 8.470 -6.280 1.00 0.93 C ATOM 0 H VAL A 42 -11.550 7.134 -7.820 1.00 0.83 H new ATOM 0 HA VAL A 42 -12.777 5.015 -6.375 1.00 0.88 H new ATOM 0 HB VAL A 42 -13.884 6.886 -5.229 1.00 0.94 H new ATOM 0 HG11 VAL A 42 -11.749 7.619 -4.078 1.00 1.06 H new ATOM 0 HG12 VAL A 42 -11.804 5.864 -4.369 1.00 1.06 H new ATOM 0 HG13 VAL A 42 -10.824 6.911 -5.423 1.00 1.06 H new ATOM 0 HG21 VAL A 42 -12.943 9.154 -5.432 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -12.102 8.644 -6.915 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -13.881 8.642 -6.855 1.00 0.93 H new ATOM 668 N THR A 43 -14.587 6.658 -8.560 1.00 0.85 N ATOM 669 CA THR A 43 -15.773 6.599 -9.390 1.00 0.93 C ATOM 670 C THR A 43 -15.871 5.246 -10.108 1.00 0.92 C ATOM 671 O THR A 43 -16.915 4.600 -10.069 1.00 1.02 O ATOM 672 CB THR A 43 -15.697 7.773 -10.372 1.00 1.00 C ATOM 673 OG1 THR A 43 -15.674 8.985 -9.647 1.00 1.06 O ATOM 674 CG2 THR A 43 -16.883 7.814 -11.341 1.00 1.20 C ATOM 0 H THR A 43 -13.941 7.400 -8.827 1.00 0.85 H new ATOM 0 HA THR A 43 -16.678 6.683 -8.788 1.00 0.93 H new ATOM 0 HB THR A 43 -14.788 7.639 -10.959 1.00 1.00 H new ATOM 0 HG1 THR A 43 -14.752 9.196 -9.392 1.00 1.06 H new ATOM 0 HG21 THR A 43 -16.775 8.666 -12.012 1.00 1.20 H new ATOM 0 HG22 THR A 43 -16.908 6.894 -11.924 1.00 1.20 H new ATOM 0 HG23 THR A 43 -17.811 7.912 -10.777 1.00 1.20 H new ATOM 682 N GLN A 44 -14.807 4.840 -10.806 1.00 0.85 N ATOM 683 CA GLN A 44 -14.850 3.726 -11.743 1.00 0.90 C ATOM 684 C GLN A 44 -14.858 2.377 -11.019 1.00 0.91 C ATOM 685 O GLN A 44 -15.688 1.526 -11.327 1.00 0.99 O ATOM 686 CB GLN A 44 -13.670 3.857 -12.716 1.00 0.97 C ATOM 687 CG GLN A 44 -13.752 2.920 -13.927 1.00 1.22 C ATOM 688 CD GLN A 44 -12.586 3.190 -14.871 1.00 1.46 C ATOM 689 OE1 GLN A 44 -12.763 3.758 -15.943 1.00 2.49 O ATOM 690 NE2 GLN A 44 -11.376 2.822 -14.463 1.00 1.87 N ATOM 0 H GLN A 44 -13.890 5.280 -10.733 1.00 0.85 H new ATOM 0 HA GLN A 44 -15.781 3.762 -12.309 1.00 0.90 H new ATOM 0 HB2 GLN A 44 -13.617 4.887 -13.069 1.00 0.97 H new ATOM 0 HB3 GLN A 44 -12.744 3.657 -12.177 1.00 0.97 H new ATOM 0 HG2 GLN A 44 -13.731 1.882 -13.597 1.00 1.22 H new ATOM 0 HG3 GLN A 44 -14.697 3.069 -14.450 1.00 1.22 H new ATOM 0 HE21 GLN A 44 -11.262 2.351 -13.565 1.00 1.87 H new ATOM 0 HE22 GLN A 44 -10.562 3.011 -15.047 1.00 1.87 H new ATOM 699 N GLN A 45 -13.918 2.160 -10.093 1.00 0.93 N ATOM 700 CA GLN A 45 -13.761 0.884 -9.404 1.00 1.12 C ATOM 701 C GLN A 45 -13.298 1.116 -7.972 1.00 1.12 C ATOM 702 O GLN A 45 -12.130 0.893 -7.664 1.00 2.41 O ATOM 703 CB GLN A 45 -12.776 -0.034 -10.147 1.00 1.74 C ATOM 704 CG GLN A 45 -13.349 -0.600 -11.449 1.00 2.34 C ATOM 705 CD GLN A 45 -12.427 -1.667 -12.023 1.00 2.74 C ATOM 706 OE1 GLN A 45 -11.636 -1.385 -12.918 1.00 3.56 O ATOM 707 NE2 GLN A 45 -12.522 -2.885 -11.498 1.00 3.53 N ATOM 0 H GLN A 45 -13.245 2.869 -9.803 1.00 0.93 H new ATOM 0 HA GLN A 45 -14.730 0.386 -9.386 1.00 1.12 H new ATOM 0 HB2 GLN A 45 -11.866 0.523 -10.369 1.00 1.74 H new ATOM 0 HB3 GLN A 45 -12.493 -0.859 -9.493 1.00 1.74 H new ATOM 0 HG2 GLN A 45 -14.335 -1.026 -11.263 1.00 2.34 H new ATOM 0 HG3 GLN A 45 -13.480 0.203 -12.174 1.00 2.34 H new ATOM 0 HE21 GLN A 45 -13.196 -3.069 -10.755 1.00 3.53 H new ATOM 0 HE22 GLN A 45 -11.921 -3.635 -11.838 1.00 3.53 H new ATOM 716 N LEU A 46 -14.224 1.501 -7.086 1.00 0.98 N ATOM 717 CA LEU A 46 -14.014 1.328 -5.654 1.00 0.88 C ATOM 718 C LEU A 46 -15.327 1.207 -4.855 1.00 1.17 C ATOM 719 O LEU A 46 -15.525 1.909 -3.859 1.00 1.72 O ATOM 720 CB LEU A 46 -13.083 2.448 -5.163 1.00 0.86 C ATOM 721 CG LEU A 46 -12.097 1.953 -4.103 1.00 1.10 C ATOM 722 CD1 LEU A 46 -10.989 1.087 -4.718 1.00 1.42 C ATOM 723 CD2 LEU A 46 -11.442 3.174 -3.470 1.00 1.71 C ATOM 0 H LEU A 46 -15.115 1.929 -7.337 1.00 0.98 H new ATOM 0 HA LEU A 46 -13.528 0.369 -5.474 1.00 0.88 H new ATOM 0 HB2 LEU A 46 -12.530 2.856 -6.009 1.00 0.86 H new ATOM 0 HB3 LEU A 46 -13.681 3.261 -4.750 1.00 0.86 H new ATOM 0 HG LEU A 46 -12.642 1.351 -3.375 1.00 1.10 H new ATOM 0 HD11 LEU A 46 -10.309 0.755 -3.933 1.00 1.42 H new ATOM 0 HD12 LEU A 46 -11.434 0.219 -5.204 1.00 1.42 H new ATOM 0 HD13 LEU A 46 -10.436 1.672 -5.454 1.00 1.42 H new ATOM 0 HD21 LEU A 46 -10.732 2.852 -2.708 1.00 1.71 H new ATOM 0 HD22 LEU A 46 -10.918 3.744 -4.237 1.00 1.71 H new ATOM 0 HD23 LEU A 46 -12.207 3.801 -3.011 1.00 1.71 H new ATOM 735 N PRO A 47 -16.268 0.346 -5.285 1.00 1.01 N ATOM 736 CA PRO A 47 -17.557 0.196 -4.629 1.00 1.41 C ATOM 737 C PRO A 47 -17.423 -0.432 -3.238 1.00 1.97 C ATOM 738 O PRO A 47 -16.678 -1.384 -3.037 1.00 4.05 O ATOM 739 CB PRO A 47 -18.385 -0.706 -5.554 1.00 1.24 C ATOM 740 CG PRO A 47 -17.319 -1.553 -6.246 1.00 1.14 C ATOM 741 CD PRO A 47 -16.188 -0.542 -6.435 1.00 0.98 C ATOM 0 HA PRO A 47 -18.028 1.166 -4.471 1.00 1.41 H new ATOM 0 HB2 PRO A 47 -19.089 -1.321 -4.994 1.00 1.24 H new ATOM 0 HB3 PRO A 47 -18.967 -0.125 -6.269 1.00 1.24 H new ATOM 0 HG2 PRO A 47 -17.011 -2.401 -5.635 1.00 1.14 H new ATOM 0 HG3 PRO A 47 -17.670 -1.956 -7.196 1.00 1.14 H new ATOM 0 HD2 PRO A 47 -15.219 -1.040 -6.480 1.00 0.98 H new ATOM 0 HD3 PRO A 47 -16.306 0.010 -7.367 1.00 0.98 H new ATOM 749 N HIS A 48 -18.204 0.081 -2.281 1.00 1.42 N ATOM 750 CA HIS A 48 -18.466 -0.540 -0.981 1.00 1.55 C ATOM 751 C HIS A 48 -17.305 -0.401 0.014 1.00 1.58 C ATOM 752 O HIS A 48 -17.418 -0.849 1.158 1.00 2.30 O ATOM 753 CB HIS A 48 -18.889 -2.011 -1.170 1.00 1.60 C ATOM 754 CG HIS A 48 -19.721 -2.629 -0.068 1.00 2.25 C ATOM 755 ND1 HIS A 48 -20.151 -3.937 -0.060 1.00 3.56 N ATOM 756 CD2 HIS A 48 -20.293 -2.005 1.013 1.00 2.46 C ATOM 757 CE1 HIS A 48 -20.964 -4.092 0.997 1.00 3.97 C ATOM 758 NE2 HIS A 48 -21.084 -2.944 1.681 1.00 3.22 N ATOM 0 H HIS A 48 -18.687 0.972 -2.396 1.00 1.42 H new ATOM 0 HA HIS A 48 -19.292 0.009 -0.528 1.00 1.55 H new ATOM 0 HB2 HIS A 48 -19.450 -2.086 -2.102 1.00 1.60 H new ATOM 0 HB3 HIS A 48 -17.987 -2.611 -1.292 1.00 1.60 H new ATOM 0 HD2 HIS A 48 -20.156 -0.972 1.297 1.00 2.46 H new ATOM 0 HE1 HIS A 48 -21.455 -5.017 1.261 1.00 3.97 H new ATOM 0 HE2 HIS A 48 -21.641 -2.788 2.521 1.00 3.22 H new ATOM 766 N LEU A 49 -16.199 0.218 -0.404 1.00 1.20 N ATOM 767 CA LEU A 49 -14.989 0.349 0.383 1.00 1.15 C ATOM 768 C LEU A 49 -14.905 1.745 1.014 1.00 1.11 C ATOM 769 O LEU A 49 -15.427 1.952 2.108 1.00 1.31 O ATOM 770 CB LEU A 49 -13.816 0.012 -0.536 1.00 1.17 C ATOM 771 CG LEU A 49 -12.485 -0.037 0.215 1.00 0.96 C ATOM 772 CD1 LEU A 49 -12.287 -1.402 0.879 1.00 0.92 C ATOM 773 CD2 LEU A 49 -11.372 0.245 -0.786 1.00 1.14 C ATOM 0 H LEU A 49 -16.127 0.651 -1.325 1.00 1.20 H new ATOM 0 HA LEU A 49 -14.975 -0.340 1.227 1.00 1.15 H new ATOM 0 HB2 LEU A 49 -13.997 -0.951 -1.014 1.00 1.17 H new ATOM 0 HB3 LEU A 49 -13.755 0.755 -1.331 1.00 1.17 H new ATOM 0 HG LEU A 49 -12.473 0.711 1.008 1.00 0.96 H new ATOM 0 HD11 LEU A 49 -11.334 -1.415 1.408 1.00 0.92 H new ATOM 0 HD12 LEU A 49 -13.097 -1.584 1.586 1.00 0.92 H new ATOM 0 HD13 LEU A 49 -12.289 -2.181 0.117 1.00 0.92 H new ATOM 0 HD21 LEU A 49 -10.409 0.216 -0.277 1.00 1.14 H new ATOM 0 HD22 LEU A 49 -11.390 -0.510 -1.572 1.00 1.14 H new ATOM 0 HD23 LEU A 49 -11.520 1.231 -1.227 1.00 1.14 H new ATOM 785 N LEU A 50 -14.254 2.707 0.344 1.00 1.05 N ATOM 786 CA LEU A 50 -14.100 4.063 0.861 1.00 1.17 C ATOM 787 C LEU A 50 -15.454 4.767 0.955 1.00 1.54 C ATOM 788 O LEU A 50 -15.709 5.484 1.916 1.00 3.15 O ATOM 789 CB LEU A 50 -13.165 4.902 -0.032 1.00 1.04 C ATOM 790 CG LEU A 50 -11.657 4.614 0.096 1.00 0.94 C ATOM 791 CD1 LEU A 50 -10.883 5.578 -0.810 1.00 1.07 C ATOM 792 CD2 LEU A 50 -11.156 4.814 1.526 1.00 1.27 C ATOM 0 H LEU A 50 -13.823 2.562 -0.569 1.00 1.05 H new ATOM 0 HA LEU A 50 -13.662 3.977 1.855 1.00 1.17 H new ATOM 0 HB2 LEU A 50 -13.456 4.748 -1.071 1.00 1.04 H new ATOM 0 HB3 LEU A 50 -13.332 5.955 0.193 1.00 1.04 H new ATOM 0 HG LEU A 50 -11.497 3.575 -0.191 1.00 0.94 H new ATOM 0 HD11 LEU A 50 -9.815 5.379 -0.724 1.00 1.07 H new ATOM 0 HD12 LEU A 50 -11.196 5.436 -1.844 1.00 1.07 H new ATOM 0 HD13 LEU A 50 -11.087 6.605 -0.507 1.00 1.07 H new ATOM 0 HD21 LEU A 50 -10.088 4.600 1.571 1.00 1.27 H new ATOM 0 HD22 LEU A 50 -11.333 5.845 1.833 1.00 1.27 H new ATOM 0 HD23 LEU A 50 -11.689 4.140 2.196 1.00 1.27 H new ATOM 804 N LYS A 51 -16.294 4.586 -0.079 1.00 1.11 N ATOM 805 CA LYS A 51 -17.418 5.468 -0.356 1.00 1.20 C ATOM 806 C LYS A 51 -16.946 6.913 -0.535 1.00 1.49 C ATOM 807 O LYS A 51 -15.758 7.177 -0.694 1.00 2.60 O ATOM 808 CB LYS A 51 -18.514 5.326 0.721 1.00 1.45 C ATOM 809 CG LYS A 51 -19.687 4.487 0.223 1.00 2.68 C ATOM 810 CD LYS A 51 -20.575 5.246 -0.777 1.00 4.40 C ATOM 811 CE LYS A 51 -21.602 4.276 -1.377 1.00 5.72 C ATOM 812 NZ LYS A 51 -22.650 4.973 -2.153 1.00 7.16 N ATOM 0 H LYS A 51 -16.203 3.817 -0.743 1.00 1.11 H new ATOM 0 HA LYS A 51 -17.872 5.167 -1.300 1.00 1.20 H new ATOM 0 HB2 LYS A 51 -18.090 4.866 1.614 1.00 1.45 H new ATOM 0 HB3 LYS A 51 -18.870 6.315 1.011 1.00 1.45 H new ATOM 0 HG2 LYS A 51 -19.306 3.581 -0.249 1.00 2.68 H new ATOM 0 HG3 LYS A 51 -20.291 4.173 1.074 1.00 2.68 H new ATOM 0 HD2 LYS A 51 -21.084 6.070 -0.277 1.00 4.40 H new ATOM 0 HD3 LYS A 51 -19.963 5.682 -1.567 1.00 4.40 H new ATOM 0 HE2 LYS A 51 -21.090 3.563 -2.023 1.00 5.72 H new ATOM 0 HE3 LYS A 51 -22.068 3.703 -0.575 1.00 5.72 H new ATOM 0 HZ1 LYS A 51 -23.319 4.276 -2.537 1.00 7.16 H new ATOM 0 HZ2 LYS A 51 -23.158 5.635 -1.533 1.00 7.16 H new ATOM 0 HZ3 LYS A 51 -22.211 5.499 -2.935 1.00 7.16 H new ATOM 826 N ASP A 52 -17.915 7.832 -0.556 1.00 1.43 N ATOM 827 CA ASP A 52 -17.691 9.262 -0.613 1.00 1.59 C ATOM 828 C ASP A 52 -16.928 9.632 -1.882 1.00 1.53 C ATOM 829 O ASP A 52 -16.044 10.484 -1.929 1.00 1.82 O ATOM 830 CB ASP A 52 -17.079 9.758 0.690 1.00 1.91 C ATOM 831 CG ASP A 52 -16.950 11.270 0.671 1.00 2.95 C ATOM 832 OD1 ASP A 52 -17.902 11.935 0.201 1.00 3.70 O ATOM 833 OD2 ASP A 52 -15.883 11.742 1.118 1.00 3.94 O ATOM 0 H ASP A 52 -18.904 7.584 -0.533 1.00 1.43 H new ATOM 0 HA ASP A 52 -18.639 9.794 -0.694 1.00 1.59 H new ATOM 0 HB2 ASP A 52 -17.700 9.450 1.531 1.00 1.91 H new ATOM 0 HB3 ASP A 52 -16.098 9.305 0.835 1.00 1.91 H new ATOM 838 N VAL A 53 -17.391 9.008 -2.961 1.00 1.39 N ATOM 839 CA VAL A 53 -17.172 9.472 -4.319 1.00 1.54 C ATOM 840 C VAL A 53 -17.616 10.937 -4.474 1.00 1.50 C ATOM 841 O VAL A 53 -17.122 11.640 -5.350 1.00 1.68 O ATOM 842 CB VAL A 53 -17.890 8.536 -5.308 1.00 1.72 C ATOM 843 CG1 VAL A 53 -17.250 7.143 -5.292 1.00 2.00 C ATOM 844 CG2 VAL A 53 -19.400 8.424 -5.052 1.00 2.50 C ATOM 0 H VAL A 53 -17.939 8.149 -2.910 1.00 1.39 H new ATOM 0 HA VAL A 53 -16.106 9.443 -4.545 1.00 1.54 H new ATOM 0 HB VAL A 53 -17.770 8.985 -6.294 1.00 1.72 H new ATOM 0 HG11 VAL A 53 -17.771 6.495 -5.997 1.00 2.00 H new ATOM 0 HG12 VAL A 53 -16.201 7.221 -5.578 1.00 2.00 H new ATOM 0 HG13 VAL A 53 -17.323 6.721 -4.290 1.00 2.00 H new ATOM 0 HG21 VAL A 53 -19.844 7.749 -5.784 1.00 2.50 H new ATOM 0 HG22 VAL A 53 -19.571 8.034 -4.049 1.00 2.50 H new ATOM 0 HG23 VAL A 53 -19.858 9.409 -5.141 1.00 2.50 H new ATOM 854 N GLY A 54 -18.538 11.409 -3.622 1.00 1.42 N ATOM 855 CA GLY A 54 -18.901 12.813 -3.548 1.00 1.45 C ATOM 856 C GLY A 54 -17.703 13.657 -3.115 1.00 1.37 C ATOM 857 O GLY A 54 -17.055 14.290 -3.954 1.00 1.52 O ATOM 0 H GLY A 54 -19.049 10.817 -2.967 1.00 1.42 H new ATOM 0 HA2 GLY A 54 -19.260 13.153 -4.519 1.00 1.45 H new ATOM 0 HA3 GLY A 54 -19.720 12.945 -2.841 1.00 1.45 H new ATOM 861 N SER A 55 -17.392 13.660 -1.816 1.00 1.32 N ATOM 862 CA SER A 55 -16.464 14.603 -1.195 1.00 1.34 C ATOM 863 C SER A 55 -15.012 14.139 -1.338 1.00 1.17 C ATOM 864 O SER A 55 -14.166 14.429 -0.496 1.00 1.36 O ATOM 865 CB SER A 55 -16.842 14.815 0.282 1.00 1.48 C ATOM 866 OG SER A 55 -18.213 14.533 0.504 1.00 2.97 O ATOM 0 H SER A 55 -17.788 12.992 -1.155 1.00 1.32 H new ATOM 0 HA SER A 55 -16.544 15.558 -1.715 1.00 1.34 H new ATOM 0 HB2 SER A 55 -16.229 14.172 0.913 1.00 1.48 H new ATOM 0 HB3 SER A 55 -16.628 15.844 0.571 1.00 1.48 H new ATOM 0 HG SER A 55 -18.330 13.570 0.644 1.00 2.97 H new ATOM 872 N LEU A 56 -14.695 13.456 -2.435 1.00 1.15 N ATOM 873 CA LEU A 56 -13.377 12.935 -2.731 1.00 1.12 C ATOM 874 C LEU A 56 -12.329 14.035 -2.561 1.00 1.07 C ATOM 875 O LEU A 56 -11.232 13.810 -2.062 1.00 1.04 O ATOM 876 CB LEU A 56 -13.462 12.416 -4.164 1.00 1.19 C ATOM 877 CG LEU A 56 -12.206 11.761 -4.734 1.00 1.24 C ATOM 878 CD1 LEU A 56 -11.180 12.796 -5.199 1.00 1.23 C ATOM 879 CD2 LEU A 56 -11.636 10.716 -3.777 1.00 1.37 C ATOM 0 H LEU A 56 -15.378 13.247 -3.163 1.00 1.15 H new ATOM 0 HA LEU A 56 -13.073 12.135 -2.056 1.00 1.12 H new ATOM 0 HB2 LEU A 56 -14.276 11.693 -4.216 1.00 1.19 H new ATOM 0 HB3 LEU A 56 -13.734 13.249 -4.812 1.00 1.19 H new ATOM 0 HG LEU A 56 -12.492 11.216 -5.634 1.00 1.24 H new ATOM 0 HD11 LEU A 56 -10.303 12.286 -5.597 1.00 1.23 H new ATOM 0 HD12 LEU A 56 -11.620 13.421 -5.976 1.00 1.23 H new ATOM 0 HD13 LEU A 56 -10.885 13.420 -4.356 1.00 1.23 H new ATOM 0 HD21 LEU A 56 -10.743 10.270 -4.215 1.00 1.37 H new ATOM 0 HD22 LEU A 56 -11.378 11.192 -2.831 1.00 1.37 H new ATOM 0 HD23 LEU A 56 -12.380 9.939 -3.601 1.00 1.37 H new ATOM 891 N ASP A 57 -12.693 15.251 -2.950 1.00 1.17 N ATOM 892 CA ASP A 57 -11.864 16.436 -2.940 1.00 1.31 C ATOM 893 C ASP A 57 -11.326 16.801 -1.548 1.00 1.36 C ATOM 894 O ASP A 57 -10.352 17.558 -1.489 1.00 1.65 O ATOM 895 CB ASP A 57 -12.665 17.591 -3.548 1.00 1.72 C ATOM 896 CG ASP A 57 -13.320 17.220 -4.880 1.00 3.21 C ATOM 897 OD1 ASP A 57 -14.154 16.279 -4.876 1.00 4.12 O ATOM 898 OD2 ASP A 57 -12.961 17.849 -5.893 1.00 4.33 O ATOM 0 H ASP A 57 -13.632 15.440 -3.301 1.00 1.17 H new ATOM 0 HA ASP A 57 -10.976 16.231 -3.538 1.00 1.31 H new ATOM 0 HB2 ASP A 57 -13.436 17.903 -2.844 1.00 1.72 H new ATOM 0 HB3 ASP A 57 -12.005 18.446 -3.698 1.00 1.72 H new ATOM 903 N GLU A 58 -11.916 16.324 -0.440 1.00 1.31 N ATOM 904 CA GLU A 58 -11.243 16.417 0.858 1.00 1.38 C ATOM 905 C GLU A 58 -10.205 15.300 1.001 1.00 1.24 C ATOM 906 O GLU A 58 -9.093 15.561 1.453 1.00 1.28 O ATOM 907 CB GLU A 58 -12.208 16.490 2.053 1.00 1.65 C ATOM 908 CG GLU A 58 -13.262 15.381 2.118 1.00 2.41 C ATOM 909 CD GLU A 58 -13.610 14.988 3.547 1.00 2.21 C ATOM 910 OE1 GLU A 58 -13.805 15.910 4.364 1.00 2.98 O ATOM 911 OE2 GLU A 58 -13.656 13.760 3.789 1.00 2.86 O ATOM 0 H GLU A 58 -12.835 15.881 -0.418 1.00 1.31 H new ATOM 0 HA GLU A 58 -10.719 17.372 0.878 1.00 1.38 H new ATOM 0 HB2 GLU A 58 -11.623 16.465 2.972 1.00 1.65 H new ATOM 0 HB3 GLU A 58 -12.719 17.452 2.026 1.00 1.65 H new ATOM 0 HG2 GLU A 58 -14.165 15.713 1.606 1.00 2.41 H new ATOM 0 HG3 GLU A 58 -12.896 14.505 1.583 1.00 2.41 H new ATOM 918 N LYS A 59 -10.527 14.074 0.566 1.00 1.14 N ATOM 919 CA LYS A 59 -9.576 12.964 0.551 1.00 1.11 C ATOM 920 C LYS A 59 -8.327 13.406 -0.207 1.00 1.02 C ATOM 921 O LYS A 59 -7.220 13.213 0.281 1.00 1.04 O ATOM 922 CB LYS A 59 -10.161 11.682 -0.091 1.00 1.09 C ATOM 923 CG LYS A 59 -10.342 10.494 0.871 1.00 1.29 C ATOM 924 CD LYS A 59 -11.801 10.300 1.302 1.00 1.57 C ATOM 925 CE LYS A 59 -12.315 11.559 2.023 1.00 2.12 C ATOM 926 NZ LYS A 59 -13.707 11.477 2.504 1.00 2.90 N ATOM 0 H LYS A 59 -11.453 13.828 0.216 1.00 1.14 H new ATOM 0 HA LYS A 59 -9.335 12.711 1.583 1.00 1.11 H new ATOM 0 HB2 LYS A 59 -11.128 11.924 -0.531 1.00 1.09 H new ATOM 0 HB3 LYS A 59 -9.508 11.372 -0.907 1.00 1.09 H new ATOM 0 HG2 LYS A 59 -9.985 9.584 0.389 1.00 1.29 H new ATOM 0 HG3 LYS A 59 -9.724 10.650 1.755 1.00 1.29 H new ATOM 0 HD2 LYS A 59 -12.421 10.093 0.430 1.00 1.57 H new ATOM 0 HD3 LYS A 59 -11.881 9.436 1.962 1.00 1.57 H new ATOM 0 HE2 LYS A 59 -11.664 11.764 2.873 1.00 2.12 H new ATOM 0 HE3 LYS A 59 -12.230 12.408 1.345 1.00 2.12 H new ATOM 0 HZ1 LYS A 59 -13.856 12.178 3.257 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 -14.358 11.671 1.717 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 -13.890 10.524 2.877 1.00 2.90 H new ATOM 940 N MET A 60 -8.518 14.018 -1.380 1.00 0.97 N ATOM 941 CA MET A 60 -7.458 14.599 -2.195 1.00 0.96 C ATOM 942 C MET A 60 -6.491 15.387 -1.316 1.00 0.97 C ATOM 943 O MET A 60 -5.286 15.167 -1.368 1.00 0.93 O ATOM 944 CB MET A 60 -8.098 15.468 -3.290 1.00 1.05 C ATOM 945 CG MET A 60 -7.080 16.189 -4.182 1.00 1.05 C ATOM 946 SD MET A 60 -6.389 17.732 -3.521 1.00 1.47 S ATOM 947 CE MET A 60 -5.169 18.120 -4.797 1.00 1.28 C ATOM 0 H MET A 60 -9.443 14.123 -1.797 1.00 0.97 H new ATOM 0 HA MET A 60 -6.874 13.816 -2.679 1.00 0.96 H new ATOM 0 HB2 MET A 60 -8.733 14.840 -3.914 1.00 1.05 H new ATOM 0 HB3 MET A 60 -8.745 16.209 -2.821 1.00 1.05 H new ATOM 0 HG2 MET A 60 -6.257 15.504 -4.386 1.00 1.05 H new ATOM 0 HG3 MET A 60 -7.556 16.408 -5.138 1.00 1.05 H new ATOM 0 HE1 MET A 60 -4.654 19.045 -4.539 1.00 1.28 H new ATOM 0 HE2 MET A 60 -4.444 17.309 -4.866 1.00 1.28 H new ATOM 0 HE3 MET A 60 -5.672 18.240 -5.757 1.00 1.28 H new ATOM 957 N LYS A 61 -7.026 16.294 -0.500 1.00 1.05 N ATOM 958 CA LYS A 61 -6.209 17.155 0.344 1.00 1.09 C ATOM 959 C LYS A 61 -5.544 16.336 1.454 1.00 1.15 C ATOM 960 O LYS A 61 -4.340 16.439 1.671 1.00 1.18 O ATOM 961 CB LYS A 61 -7.067 18.313 0.866 1.00 1.15 C ATOM 962 CG LYS A 61 -7.519 19.146 -0.341 1.00 1.50 C ATOM 963 CD LYS A 61 -8.630 20.132 0.016 1.00 1.77 C ATOM 964 CE LYS A 61 -9.126 20.880 -1.229 1.00 2.36 C ATOM 965 NZ LYS A 61 -9.532 19.964 -2.321 1.00 3.87 N ATOM 0 H LYS A 61 -8.030 16.450 -0.408 1.00 1.05 H new ATOM 0 HA LYS A 61 -5.395 17.594 -0.232 1.00 1.09 H new ATOM 0 HB2 LYS A 61 -7.930 17.932 1.412 1.00 1.15 H new ATOM 0 HB3 LYS A 61 -6.496 18.928 1.562 1.00 1.15 H new ATOM 0 HG2 LYS A 61 -6.666 19.693 -0.741 1.00 1.50 H new ATOM 0 HG3 LYS A 61 -7.868 18.479 -1.129 1.00 1.50 H new ATOM 0 HD2 LYS A 61 -9.460 19.598 0.478 1.00 1.77 H new ATOM 0 HD3 LYS A 61 -8.263 20.848 0.752 1.00 1.77 H new ATOM 0 HE2 LYS A 61 -9.972 21.511 -0.956 1.00 2.36 H new ATOM 0 HE3 LYS A 61 -8.338 21.541 -1.589 1.00 2.36 H new ATOM 0 HZ1 LYS A 61 -10.101 20.485 -3.018 1.00 3.87 H new ATOM 0 HZ2 LYS A 61 -8.684 19.579 -2.785 1.00 3.87 H new ATOM 0 HZ3 LYS A 61 -10.096 19.183 -1.928 1.00 3.87 H new ATOM 979 N SER A 62 -6.315 15.488 2.138 1.00 1.27 N ATOM 980 CA SER A 62 -5.805 14.603 3.177 1.00 1.44 C ATOM 981 C SER A 62 -4.691 13.679 2.666 1.00 1.52 C ATOM 982 O SER A 62 -3.816 13.282 3.440 1.00 1.81 O ATOM 983 CB SER A 62 -6.970 13.793 3.749 1.00 1.60 C ATOM 984 OG SER A 62 -7.993 14.683 4.152 1.00 2.73 O ATOM 0 H SER A 62 -7.319 15.399 1.982 1.00 1.27 H new ATOM 0 HA SER A 62 -5.356 15.214 3.960 1.00 1.44 H new ATOM 0 HB2 SER A 62 -7.349 13.097 3.000 1.00 1.60 H new ATOM 0 HB3 SER A 62 -6.634 13.196 4.597 1.00 1.60 H new ATOM 0 HG SER A 62 -8.541 14.925 3.376 1.00 2.73 H new ATOM 990 N LEU A 63 -4.740 13.292 1.389 1.00 1.35 N ATOM 991 CA LEU A 63 -3.718 12.507 0.711 1.00 1.39 C ATOM 992 C LEU A 63 -2.522 13.398 0.394 1.00 1.40 C ATOM 993 O LEU A 63 -1.409 13.132 0.855 1.00 1.56 O ATOM 994 CB LEU A 63 -4.289 11.880 -0.569 1.00 1.37 C ATOM 995 CG LEU A 63 -5.299 10.768 -0.251 1.00 1.55 C ATOM 996 CD1 LEU A 63 -6.198 10.528 -1.459 1.00 1.45 C ATOM 997 CD2 LEU A 63 -4.592 9.463 0.111 1.00 2.00 C ATOM 0 H LEU A 63 -5.524 13.528 0.780 1.00 1.35 H new ATOM 0 HA LEU A 63 -3.390 11.697 1.363 1.00 1.39 H new ATOM 0 HB2 LEU A 63 -4.773 12.651 -1.168 1.00 1.37 H new ATOM 0 HB3 LEU A 63 -3.476 11.473 -1.170 1.00 1.37 H new ATOM 0 HG LEU A 63 -5.894 11.090 0.603 1.00 1.55 H new ATOM 0 HD11 LEU A 63 -6.913 9.738 -1.229 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -6.735 11.445 -1.701 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -5.589 10.229 -2.312 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -5.334 8.696 0.331 1.00 2.00 H new ATOM 0 HD22 LEU A 63 -3.973 9.140 -0.726 1.00 2.00 H new ATOM 0 HD23 LEU A 63 -3.963 9.621 0.987 1.00 2.00 H new ATOM 1009 N ASP A 64 -2.755 14.447 -0.394 1.00 1.30 N ATOM 1010 CA ASP A 64 -1.717 15.326 -0.888 1.00 1.32 C ATOM 1011 C ASP A 64 -1.249 16.282 0.211 1.00 1.45 C ATOM 1012 O ASP A 64 -1.568 17.469 0.206 1.00 1.44 O ATOM 1013 CB ASP A 64 -2.197 16.075 -2.133 1.00 1.20 C ATOM 1014 CG ASP A 64 -0.987 16.600 -2.869 1.00 1.32 C ATOM 1015 OD1 ASP A 64 0.059 16.883 -2.242 1.00 1.77 O ATOM 1016 OD2 ASP A 64 -0.946 16.563 -4.112 1.00 1.84 O ATOM 0 H ASP A 64 -3.690 14.707 -0.708 1.00 1.30 H new ATOM 0 HA ASP A 64 -0.856 14.724 -1.180 1.00 1.32 H new ATOM 0 HB2 ASP A 64 -2.774 15.411 -2.777 1.00 1.20 H new ATOM 0 HB3 ASP A 64 -2.856 16.897 -1.851 1.00 1.20 H new ATOM 1021 N VAL A 65 -0.462 15.750 1.147 1.00 1.63 N ATOM 1022 CA VAL A 65 0.073 16.489 2.286 1.00 1.77 C ATOM 1023 C VAL A 65 0.735 17.816 1.885 1.00 1.67 C ATOM 1024 O VAL A 65 0.688 18.776 2.651 1.00 1.73 O ATOM 1025 CB VAL A 65 1.042 15.606 3.096 1.00 2.01 C ATOM 1026 CG1 VAL A 65 0.312 14.406 3.711 1.00 2.41 C ATOM 1027 CG2 VAL A 65 2.233 15.102 2.267 1.00 1.94 C ATOM 0 H VAL A 65 -0.174 14.772 1.132 1.00 1.63 H new ATOM 0 HA VAL A 65 -0.775 16.753 2.917 1.00 1.77 H new ATOM 0 HB VAL A 65 1.434 16.246 3.886 1.00 2.01 H new ATOM 0 HG11 VAL A 65 1.020 13.800 4.277 1.00 2.41 H new ATOM 0 HG12 VAL A 65 -0.475 14.761 4.376 1.00 2.41 H new ATOM 0 HG13 VAL A 65 -0.129 13.802 2.917 1.00 2.41 H new ATOM 0 HG21 VAL A 65 2.878 14.486 2.894 1.00 1.94 H new ATOM 0 HG22 VAL A 65 1.868 14.508 1.429 1.00 1.94 H new ATOM 0 HG23 VAL A 65 2.799 15.953 1.889 1.00 1.94 H new ATOM 1037 N ASN A 66 1.382 17.864 0.715 1.00 1.59 N ATOM 1038 CA ASN A 66 2.080 19.055 0.235 1.00 1.55 C ATOM 1039 C ASN A 66 1.167 19.965 -0.590 1.00 1.44 C ATOM 1040 O ASN A 66 1.346 21.180 -0.564 1.00 1.70 O ATOM 1041 CB ASN A 66 3.368 18.689 -0.518 1.00 1.70 C ATOM 1042 CG ASN A 66 3.169 17.626 -1.593 1.00 1.67 C ATOM 1043 OD1 ASN A 66 2.548 17.862 -2.625 1.00 1.22 O ATOM 1044 ND2 ASN A 66 3.682 16.422 -1.363 1.00 2.99 N ATOM 0 H ASN A 66 1.434 17.072 0.074 1.00 1.59 H new ATOM 0 HA ASN A 66 2.375 19.629 1.113 1.00 1.55 H new ATOM 0 HB2 ASN A 66 3.776 19.588 -0.980 1.00 1.70 H new ATOM 0 HB3 ASN A 66 4.109 18.334 0.199 1.00 1.70 H new ATOM 0 HD21 ASN A 66 3.562 15.677 -2.049 1.00 2.99 H new ATOM 0 HD22 ASN A 66 4.195 16.243 -0.500 1.00 2.99 H new ATOM 1051 N GLN A 67 0.201 19.403 -1.319 1.00 1.20 N ATOM 1052 CA GLN A 67 -0.739 20.145 -2.147 1.00 1.21 C ATOM 1053 C GLN A 67 -0.011 21.016 -3.181 1.00 1.22 C ATOM 1054 O GLN A 67 -0.396 22.152 -3.446 1.00 1.31 O ATOM 1055 CB GLN A 67 -1.744 20.914 -1.274 1.00 1.46 C ATOM 1056 CG GLN A 67 -3.034 21.229 -2.051 1.00 2.00 C ATOM 1057 CD GLN A 67 -4.019 22.056 -1.233 1.00 2.25 C ATOM 1058 OE1 GLN A 67 -5.169 21.667 -1.047 1.00 2.78 O ATOM 1059 NE2 GLN A 67 -3.590 23.219 -0.751 1.00 3.08 N ATOM 0 H GLN A 67 0.051 18.395 -1.348 1.00 1.20 H new ATOM 0 HA GLN A 67 -1.328 19.440 -2.733 1.00 1.21 H new ATOM 0 HB2 GLN A 67 -1.985 20.325 -0.389 1.00 1.46 H new ATOM 0 HB3 GLN A 67 -1.291 21.842 -0.926 1.00 1.46 H new ATOM 0 HG2 GLN A 67 -2.782 21.768 -2.964 1.00 2.00 H new ATOM 0 HG3 GLN A 67 -3.510 20.296 -2.353 1.00 2.00 H new ATOM 0 HE21 GLN A 67 -2.630 23.518 -0.920 1.00 3.08 H new ATOM 0 HE22 GLN A 67 -4.221 23.812 -0.212 1.00 3.08 H new ATOM 1068 N ASP A 68 1.005 20.428 -3.817 1.00 1.39 N ATOM 1069 CA ASP A 68 1.494 20.834 -5.134 1.00 1.43 C ATOM 1070 C ASP A 68 0.318 20.923 -6.130 1.00 1.50 C ATOM 1071 O ASP A 68 0.210 21.893 -6.878 1.00 2.13 O ATOM 1072 CB ASP A 68 2.605 19.858 -5.599 1.00 1.30 C ATOM 1073 CG ASP A 68 2.215 18.390 -5.500 1.00 1.16 C ATOM 1074 OD1 ASP A 68 1.031 18.108 -5.248 1.00 1.30 O ATOM 1075 OD2 ASP A 68 3.051 17.469 -5.356 1.00 1.28 O ATOM 0 H ASP A 68 1.520 19.641 -3.422 1.00 1.39 H new ATOM 0 HA ASP A 68 1.938 21.828 -5.082 1.00 1.43 H new ATOM 0 HB2 ASP A 68 2.866 20.086 -6.632 1.00 1.30 H new ATOM 0 HB3 ASP A 68 3.499 20.028 -4.999 1.00 1.30 H new ATOM 1080 N SER A 69 -0.581 19.932 -6.053 1.00 1.27 N ATOM 1081 CA SER A 69 -1.746 19.609 -6.876 1.00 1.31 C ATOM 1082 C SER A 69 -1.565 18.290 -7.653 1.00 1.19 C ATOM 1083 O SER A 69 -2.324 18.047 -8.596 1.00 1.27 O ATOM 1084 CB SER A 69 -2.163 20.753 -7.815 1.00 1.53 C ATOM 1085 OG SER A 69 -3.437 20.484 -8.372 1.00 1.70 O ATOM 0 H SER A 69 -0.490 19.245 -5.305 1.00 1.27 H new ATOM 0 HA SER A 69 -2.566 19.470 -6.172 1.00 1.31 H new ATOM 0 HB2 SER A 69 -2.189 21.694 -7.266 1.00 1.53 H new ATOM 0 HB3 SER A 69 -1.427 20.868 -8.610 1.00 1.53 H new ATOM 0 HG SER A 69 -3.457 19.566 -8.714 1.00 1.70 H new ATOM 1091 N GLU A 70 -0.628 17.419 -7.257 1.00 1.22 N ATOM 1092 CA GLU A 70 -0.372 16.137 -7.884 1.00 1.27 C ATOM 1093 C GLU A 70 -0.233 15.072 -6.807 1.00 1.25 C ATOM 1094 O GLU A 70 0.664 15.156 -5.959 1.00 1.25 O ATOM 1095 CB GLU A 70 0.944 16.146 -8.671 1.00 1.36 C ATOM 1096 CG GLU A 70 1.079 17.294 -9.676 1.00 1.55 C ATOM 1097 CD GLU A 70 1.746 18.496 -9.020 1.00 3.26 C ATOM 1098 OE1 GLU A 70 2.919 18.324 -8.613 1.00 3.95 O ATOM 1099 OE2 GLU A 70 1.068 19.538 -8.919 1.00 4.65 O ATOM 0 H GLU A 70 -0.013 17.603 -6.465 1.00 1.22 H new ATOM 0 HA GLU A 70 -1.203 15.933 -8.559 1.00 1.27 H new ATOM 0 HB2 GLU A 70 1.773 16.199 -7.966 1.00 1.36 H new ATOM 0 HB3 GLU A 70 1.039 15.200 -9.205 1.00 1.36 H new ATOM 0 HG2 GLU A 70 1.666 16.968 -10.534 1.00 1.55 H new ATOM 0 HG3 GLU A 70 0.095 17.575 -10.051 1.00 1.55 H new ATOM 1106 N LEU A 71 -1.003 13.997 -6.936 1.00 1.18 N ATOM 1107 CA LEU A 71 -0.836 12.796 -6.148 1.00 1.13 C ATOM 1108 C LEU A 71 0.313 12.053 -6.834 1.00 1.04 C ATOM 1109 O LEU A 71 0.118 11.145 -7.639 1.00 1.10 O ATOM 1110 CB LEU A 71 -2.142 11.978 -6.112 1.00 1.10 C ATOM 1111 CG LEU A 71 -3.302 12.577 -5.297 1.00 1.17 C ATOM 1112 CD1 LEU A 71 -3.013 12.533 -3.793 1.00 1.14 C ATOM 1113 CD2 LEU A 71 -3.699 13.995 -5.716 1.00 1.25 C ATOM 0 H LEU A 71 -1.772 13.942 -7.604 1.00 1.18 H new ATOM 0 HA LEU A 71 -0.607 12.996 -5.101 1.00 1.13 H new ATOM 0 HB2 LEU A 71 -2.483 11.834 -7.137 1.00 1.10 H new ATOM 0 HB3 LEU A 71 -1.916 10.991 -5.710 1.00 1.10 H new ATOM 0 HG LEU A 71 -4.158 11.940 -5.521 1.00 1.17 H new ATOM 0 HD11 LEU A 71 -3.853 12.964 -3.248 1.00 1.14 H new ATOM 0 HD12 LEU A 71 -2.870 11.499 -3.480 1.00 1.14 H new ATOM 0 HD13 LEU A 71 -2.110 13.105 -3.579 1.00 1.14 H new ATOM 0 HD21 LEU A 71 -4.523 14.342 -5.092 1.00 1.25 H new ATOM 0 HD22 LEU A 71 -2.846 14.663 -5.595 1.00 1.25 H new ATOM 0 HD23 LEU A 71 -4.011 13.992 -6.760 1.00 1.25 H new ATOM 1125 N LYS A 72 1.521 12.551 -6.555 1.00 0.98 N ATOM 1126 CA LYS A 72 2.826 12.014 -6.930 1.00 1.02 C ATOM 1127 C LYS A 72 2.878 10.528 -6.554 1.00 0.81 C ATOM 1128 O LYS A 72 2.176 10.152 -5.621 1.00 0.76 O ATOM 1129 CB LYS A 72 3.856 12.844 -6.145 1.00 1.52 C ATOM 1130 CG LYS A 72 5.239 12.988 -6.794 1.00 1.29 C ATOM 1131 CD LYS A 72 5.534 14.470 -7.097 1.00 1.88 C ATOM 1132 CE LYS A 72 5.725 15.314 -5.821 1.00 3.34 C ATOM 1133 NZ LYS A 72 5.419 16.747 -6.038 1.00 4.00 N ATOM 0 H LYS A 72 1.616 13.412 -6.016 1.00 0.98 H new ATOM 0 HA LYS A 72 3.027 12.079 -7.999 1.00 1.02 H new ATOM 0 HB2 LYS A 72 3.445 13.841 -5.987 1.00 1.52 H new ATOM 0 HB3 LYS A 72 3.983 12.392 -5.161 1.00 1.52 H new ATOM 0 HG2 LYS A 72 6.004 12.586 -6.130 1.00 1.29 H new ATOM 0 HG3 LYS A 72 5.279 12.406 -7.715 1.00 1.29 H new ATOM 0 HD2 LYS A 72 6.432 14.539 -7.711 1.00 1.88 H new ATOM 0 HD3 LYS A 72 4.715 14.886 -7.683 1.00 1.88 H new ATOM 0 HE2 LYS A 72 5.082 14.924 -5.032 1.00 3.34 H new ATOM 0 HE3 LYS A 72 6.753 15.214 -5.473 1.00 3.34 H new ATOM 0 HZ1 LYS A 72 6.209 17.327 -5.691 1.00 4.00 H new ATOM 0 HZ2 LYS A 72 5.281 16.922 -7.054 1.00 4.00 H new ATOM 0 HZ3 LYS A 72 4.552 16.999 -5.522 1.00 4.00 H new ATOM 1147 N PHE A 73 3.686 9.689 -7.218 1.00 0.83 N ATOM 1148 CA PHE A 73 3.581 8.227 -7.123 1.00 0.72 C ATOM 1149 C PHE A 73 3.263 7.746 -5.708 1.00 0.63 C ATOM 1150 O PHE A 73 2.242 7.108 -5.484 1.00 0.62 O ATOM 1151 CB PHE A 73 4.860 7.541 -7.635 1.00 0.86 C ATOM 1152 CG PHE A 73 4.805 6.020 -7.615 1.00 1.87 C ATOM 1153 CD1 PHE A 73 4.910 5.310 -6.400 1.00 3.58 C ATOM 1154 CD2 PHE A 73 4.492 5.319 -8.793 1.00 2.91 C ATOM 1155 CE1 PHE A 73 4.481 3.974 -6.327 1.00 5.16 C ATOM 1156 CE2 PHE A 73 4.200 3.944 -8.739 1.00 4.54 C ATOM 1157 CZ PHE A 73 4.128 3.290 -7.500 1.00 5.43 C ATOM 0 H PHE A 73 4.432 10.006 -7.837 1.00 0.83 H new ATOM 0 HA PHE A 73 2.744 7.944 -7.761 1.00 0.72 H new ATOM 0 HB2 PHE A 73 5.053 7.873 -8.655 1.00 0.86 H new ATOM 0 HB3 PHE A 73 5.703 7.871 -7.028 1.00 0.86 H new ATOM 0 HD1 PHE A 73 5.320 5.794 -5.526 1.00 3.58 H new ATOM 0 HD2 PHE A 73 4.476 5.837 -9.741 1.00 2.91 H new ATOM 0 HE1 PHE A 73 4.423 3.475 -5.371 1.00 5.16 H new ATOM 0 HE2 PHE A 73 4.031 3.392 -9.652 1.00 4.54 H new ATOM 0 HZ PHE A 73 3.801 2.262 -7.449 1.00 5.43 H new ATOM 1167 N ASN A 74 4.138 8.060 -4.747 1.00 0.71 N ATOM 1168 CA ASN A 74 3.997 7.615 -3.365 1.00 0.80 C ATOM 1169 C ASN A 74 2.719 8.191 -2.732 1.00 0.93 C ATOM 1170 O ASN A 74 2.017 7.493 -2.001 1.00 1.19 O ATOM 1171 CB ASN A 74 5.284 7.960 -2.602 1.00 0.94 C ATOM 1172 CG ASN A 74 5.280 7.530 -1.136 1.00 1.25 C ATOM 1173 OD1 ASN A 74 5.987 6.594 -0.755 1.00 1.76 O ATOM 1174 ND2 ASN A 74 4.549 8.249 -0.293 1.00 1.81 N ATOM 0 H ASN A 74 4.966 8.633 -4.911 1.00 0.71 H new ATOM 0 HA ASN A 74 3.873 6.533 -3.318 1.00 0.80 H new ATOM 0 HB2 ASN A 74 6.128 7.488 -3.105 1.00 0.94 H new ATOM 0 HB3 ASN A 74 5.445 9.037 -2.652 1.00 0.94 H new ATOM 0 HD21 ASN A 74 4.561 8.034 0.704 1.00 1.81 H new ATOM 0 HD22 ASN A 74 3.975 9.017 -0.642 1.00 1.81 H new ATOM 1181 N GLU A 75 2.405 9.458 -3.020 1.00 0.89 N ATOM 1182 CA GLU A 75 1.198 10.110 -2.533 1.00 0.96 C ATOM 1183 C GLU A 75 -0.059 9.441 -3.093 1.00 0.85 C ATOM 1184 O GLU A 75 -1.036 9.295 -2.368 1.00 1.06 O ATOM 1185 CB GLU A 75 1.154 11.584 -2.936 1.00 1.01 C ATOM 1186 CG GLU A 75 2.350 12.467 -2.554 1.00 1.17 C ATOM 1187 CD GLU A 75 2.073 13.875 -3.058 1.00 1.27 C ATOM 1188 OE1 GLU A 75 0.899 14.217 -3.279 1.00 2.38 O ATOM 1189 OE2 GLU A 75 2.976 14.706 -3.296 1.00 1.67 O ATOM 0 H GLU A 75 2.989 10.059 -3.602 1.00 0.89 H new ATOM 0 HA GLU A 75 1.222 10.021 -1.447 1.00 0.96 H new ATOM 0 HB2 GLU A 75 1.035 11.632 -4.018 1.00 1.01 H new ATOM 0 HB3 GLU A 75 0.259 12.025 -2.497 1.00 1.01 H new ATOM 0 HG2 GLU A 75 2.492 12.470 -1.473 1.00 1.17 H new ATOM 0 HG3 GLU A 75 3.268 12.078 -2.995 1.00 1.17 H new ATOM 1196 N TYR A 76 -0.078 9.073 -4.378 1.00 0.72 N ATOM 1197 CA TYR A 76 -1.225 8.359 -4.920 1.00 0.71 C ATOM 1198 C TYR A 76 -1.282 6.965 -4.314 1.00 0.77 C ATOM 1199 O TYR A 76 -2.315 6.578 -3.765 1.00 0.77 O ATOM 1200 CB TYR A 76 -1.195 8.251 -6.445 1.00 0.67 C ATOM 1201 CG TYR A 76 -2.282 7.318 -6.945 1.00 0.89 C ATOM 1202 CD1 TYR A 76 -3.630 7.598 -6.641 1.00 1.94 C ATOM 1203 CD2 TYR A 76 -1.934 6.054 -7.458 1.00 2.24 C ATOM 1204 CE1 TYR A 76 -4.630 6.655 -6.936 1.00 2.18 C ATOM 1205 CE2 TYR A 76 -2.936 5.116 -7.757 1.00 2.66 C ATOM 1206 CZ TYR A 76 -4.282 5.419 -7.505 1.00 1.99 C ATOM 1207 OH TYR A 76 -5.250 4.515 -7.815 1.00 2.65 O ATOM 0 H TYR A 76 0.672 9.255 -5.045 1.00 0.72 H new ATOM 0 HA TYR A 76 -2.114 8.932 -4.658 1.00 0.71 H new ATOM 0 HB2 TYR A 76 -1.328 9.239 -6.886 1.00 0.67 H new ATOM 0 HB3 TYR A 76 -0.220 7.886 -6.768 1.00 0.67 H new ATOM 0 HD1 TYR A 76 -3.895 8.538 -6.181 1.00 1.94 H new ATOM 0 HD2 TYR A 76 -0.896 5.805 -7.622 1.00 2.24 H new ATOM 0 HE1 TYR A 76 -5.665 6.881 -6.725 1.00 2.18 H new ATOM 0 HE2 TYR A 76 -2.669 4.160 -8.182 1.00 2.66 H new ATOM 0 HH TYR A 76 -4.838 3.714 -8.201 1.00 2.65 H new ATOM 1217 N TRP A 77 -0.167 6.230 -4.426 1.00 0.88 N ATOM 1218 CA TRP A 77 0.005 4.909 -3.846 1.00 0.94 C ATOM 1219 C TRP A 77 -0.622 4.895 -2.446 1.00 0.89 C ATOM 1220 O TRP A 77 -1.254 3.912 -2.075 1.00 0.86 O ATOM 1221 CB TRP A 77 1.489 4.462 -3.817 1.00 1.04 C ATOM 1222 CG TRP A 77 1.732 3.528 -2.677 1.00 0.94 C ATOM 1223 CD1 TRP A 77 1.874 3.997 -1.420 1.00 1.33 C ATOM 1224 CD2 TRP A 77 1.339 2.127 -2.526 1.00 2.21 C ATOM 1225 NE1 TRP A 77 1.233 3.120 -0.581 1.00 1.60 N ATOM 1226 CE2 TRP A 77 0.918 1.933 -1.186 1.00 2.00 C ATOM 1227 CE3 TRP A 77 1.236 1.009 -3.371 1.00 3.93 C ATOM 1228 CZ2 TRP A 77 0.324 0.747 -0.737 1.00 3.15 C ATOM 1229 CZ3 TRP A 77 0.933 -0.260 -2.824 1.00 4.82 C ATOM 1230 CH2 TRP A 77 0.317 -0.363 -1.575 1.00 4.51 C ATOM 0 H TRP A 77 0.655 6.553 -4.936 1.00 0.88 H new ATOM 0 HA TRP A 77 -0.506 4.183 -4.478 1.00 0.94 H new ATOM 0 HB2 TRP A 77 1.746 3.973 -4.757 1.00 1.04 H new ATOM 0 HB3 TRP A 77 2.136 5.334 -3.724 1.00 1.04 H new ATOM 0 HD1 TRP A 77 2.396 4.896 -1.128 1.00 1.33 H new ATOM 0 HE1 TRP A 77 1.014 3.331 0.393 1.00 1.60 H new ATOM 0 HE3 TRP A 77 1.388 1.118 -4.435 1.00 3.93 H new ATOM 0 HZ2 TRP A 77 -0.122 0.695 0.245 1.00 3.15 H new ATOM 0 HZ3 TRP A 77 1.180 -1.155 -3.376 1.00 4.82 H new ATOM 0 HH2 TRP A 77 -0.154 -1.284 -1.267 1.00 4.51 H new ATOM 1241 N ARG A 78 -0.415 5.959 -1.658 1.00 0.90 N ATOM 1242 CA ARG A 78 -0.979 6.095 -0.319 1.00 0.88 C ATOM 1243 C ARG A 78 -2.393 5.555 -0.261 1.00 0.78 C ATOM 1244 O ARG A 78 -2.647 4.708 0.583 1.00 0.90 O ATOM 1245 CB ARG A 78 -1.012 7.550 0.141 1.00 0.94 C ATOM 1246 CG ARG A 78 -1.655 7.746 1.509 1.00 2.01 C ATOM 1247 CD ARG A 78 -1.107 8.981 2.223 1.00 1.80 C ATOM 1248 NE ARG A 78 -2.018 9.297 3.324 1.00 3.00 N ATOM 1249 CZ ARG A 78 -2.466 10.515 3.638 1.00 3.38 C ATOM 1250 NH1 ARG A 78 -1.763 11.613 3.360 1.00 3.08 N ATOM 1251 NH2 ARG A 78 -3.676 10.614 4.184 1.00 5.02 N ATOM 0 H ARG A 78 0.156 6.755 -1.941 1.00 0.90 H new ATOM 0 HA ARG A 78 -0.330 5.520 0.341 1.00 0.88 H new ATOM 0 HB2 ARG A 78 0.007 7.936 0.170 1.00 0.94 H new ATOM 0 HB3 ARG A 78 -1.556 8.142 -0.595 1.00 0.94 H new ATOM 0 HG2 ARG A 78 -2.734 7.843 1.393 1.00 2.01 H new ATOM 0 HG3 ARG A 78 -1.479 6.863 2.123 1.00 2.01 H new ATOM 0 HD2 ARG A 78 -0.102 8.791 2.600 1.00 1.80 H new ATOM 0 HD3 ARG A 78 -1.035 9.822 1.533 1.00 1.80 H new ATOM 0 HE ARG A 78 -2.338 8.520 3.901 1.00 3.00 H new ATOM 0 HH11 ARG A 78 -0.858 11.535 2.896 1.00 3.08 H new ATOM 0 HH12 ARG A 78 -2.130 12.531 3.612 1.00 3.08 H new ATOM 0 HH21 ARG A 78 -4.231 9.774 4.351 1.00 5.02 H new ATOM 0 HH22 ARG A 78 -4.048 11.530 4.436 1.00 5.02 H new ATOM 1265 N LEU A 79 -3.283 5.999 -1.159 1.00 0.63 N ATOM 1266 CA LEU A 79 -4.665 5.551 -1.222 1.00 0.62 C ATOM 1267 C LEU A 79 -4.759 4.035 -1.062 1.00 0.65 C ATOM 1268 O LEU A 79 -5.611 3.539 -0.340 1.00 0.71 O ATOM 1269 CB LEU A 79 -5.264 5.967 -2.573 1.00 0.62 C ATOM 1270 CG LEU A 79 -6.784 5.736 -2.667 1.00 0.67 C ATOM 1271 CD1 LEU A 79 -7.545 6.834 -1.908 1.00 0.71 C ATOM 1272 CD2 LEU A 79 -7.186 5.717 -4.145 1.00 0.69 C ATOM 0 H LEU A 79 -3.050 6.692 -1.871 1.00 0.63 H new ATOM 0 HA LEU A 79 -5.221 6.012 -0.406 1.00 0.62 H new ATOM 0 HB2 LEU A 79 -5.053 7.022 -2.746 1.00 0.62 H new ATOM 0 HB3 LEU A 79 -4.770 5.409 -3.368 1.00 0.62 H new ATOM 0 HG LEU A 79 -7.041 4.781 -2.208 1.00 0.67 H new ATOM 0 HD11 LEU A 79 -8.617 6.654 -1.986 1.00 0.71 H new ATOM 0 HD12 LEU A 79 -7.250 6.822 -0.859 1.00 0.71 H new ATOM 0 HD13 LEU A 79 -7.308 7.806 -2.340 1.00 0.71 H new ATOM 0 HD21 LEU A 79 -8.261 5.554 -4.228 1.00 0.69 H new ATOM 0 HD22 LEU A 79 -6.927 6.671 -4.605 1.00 0.69 H new ATOM 0 HD23 LEU A 79 -6.657 4.913 -4.656 1.00 0.69 H new ATOM 1284 N ILE A 80 -3.857 3.310 -1.720 1.00 0.66 N ATOM 1285 CA ILE A 80 -3.831 1.854 -1.807 1.00 0.74 C ATOM 1286 C ILE A 80 -3.488 1.302 -0.422 1.00 0.85 C ATOM 1287 O ILE A 80 -4.124 0.375 0.079 1.00 0.86 O ATOM 1288 CB ILE A 80 -2.851 1.391 -2.907 1.00 0.79 C ATOM 1289 CG1 ILE A 80 -3.122 2.155 -4.222 1.00 0.83 C ATOM 1290 CG2 ILE A 80 -2.984 -0.124 -3.123 1.00 1.05 C ATOM 1291 CD1 ILE A 80 -2.183 1.753 -5.361 1.00 1.45 C ATOM 0 H ILE A 80 -3.088 3.744 -2.231 1.00 0.66 H new ATOM 0 HA ILE A 80 -4.805 1.463 -2.100 1.00 0.74 H new ATOM 0 HB ILE A 80 -1.831 1.609 -2.589 1.00 0.79 H new ATOM 0 HG12 ILE A 80 -4.152 1.979 -4.531 1.00 0.83 H new ATOM 0 HG13 ILE A 80 -3.023 3.225 -4.039 1.00 0.83 H new ATOM 0 HG21 ILE A 80 -2.290 -0.443 -3.900 1.00 1.05 H new ATOM 0 HG22 ILE A 80 -2.753 -0.646 -2.194 1.00 1.05 H new ATOM 0 HG23 ILE A 80 -4.003 -0.360 -3.428 1.00 1.05 H new ATOM 0 HD11 ILE A 80 -2.428 2.327 -6.254 1.00 1.45 H new ATOM 0 HD12 ILE A 80 -1.152 1.955 -5.071 1.00 1.45 H new ATOM 0 HD13 ILE A 80 -2.299 0.690 -5.570 1.00 1.45 H new ATOM 1303 N GLY A 81 -2.505 1.928 0.226 1.00 1.05 N ATOM 1304 CA GLY A 81 -2.158 1.629 1.601 1.00 1.22 C ATOM 1305 C GLY A 81 -3.349 1.869 2.518 1.00 1.13 C ATOM 1306 O GLY A 81 -3.706 1.043 3.358 1.00 1.21 O ATOM 0 H GLY A 81 -1.930 2.657 -0.196 1.00 1.05 H new ATOM 0 HA2 GLY A 81 -1.833 0.592 1.682 1.00 1.22 H new ATOM 0 HA3 GLY A 81 -1.320 2.252 1.914 1.00 1.22 H new ATOM 1310 N GLU A 82 -3.966 3.028 2.331 1.00 1.03 N ATOM 1311 CA GLU A 82 -5.133 3.453 3.067 1.00 1.04 C ATOM 1312 C GLU A 82 -6.265 2.441 2.878 1.00 1.01 C ATOM 1313 O GLU A 82 -6.917 2.098 3.854 1.00 1.09 O ATOM 1314 CB GLU A 82 -5.501 4.897 2.696 1.00 1.01 C ATOM 1315 CG GLU A 82 -4.310 5.853 2.929 1.00 1.05 C ATOM 1316 CD GLU A 82 -4.604 6.899 4.002 1.00 1.27 C ATOM 1317 OE1 GLU A 82 -5.062 6.479 5.088 1.00 1.78 O ATOM 1318 OE2 GLU A 82 -4.308 8.094 3.775 1.00 2.52 O ATOM 0 H GLU A 82 -3.654 3.712 1.642 1.00 1.03 H new ATOM 0 HA GLU A 82 -4.924 3.472 4.137 1.00 1.04 H new ATOM 0 HB2 GLU A 82 -5.807 4.940 1.651 1.00 1.01 H new ATOM 0 HB3 GLU A 82 -6.354 5.222 3.291 1.00 1.01 H new ATOM 0 HG2 GLU A 82 -3.434 5.273 3.221 1.00 1.05 H new ATOM 0 HG3 GLU A 82 -4.063 6.355 1.994 1.00 1.05 H new ATOM 1325 N LEU A 83 -6.473 1.885 1.681 1.00 1.01 N ATOM 1326 CA LEU A 83 -7.467 0.832 1.493 1.00 1.00 C ATOM 1327 C LEU A 83 -7.193 -0.353 2.423 1.00 1.00 C ATOM 1328 O LEU A 83 -8.102 -0.843 3.093 1.00 1.04 O ATOM 1329 CB LEU A 83 -7.501 0.304 0.058 1.00 1.25 C ATOM 1330 CG LEU A 83 -7.673 1.328 -1.068 1.00 0.90 C ATOM 1331 CD1 LEU A 83 -8.076 0.594 -2.349 1.00 1.53 C ATOM 1332 CD2 LEU A 83 -8.604 2.498 -0.730 1.00 2.33 C ATOM 0 H LEU A 83 -5.968 2.147 0.834 1.00 1.01 H new ATOM 0 HA LEU A 83 -8.429 1.289 1.725 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -6.575 -0.241 -0.122 1.00 1.25 H new ATOM 0 HB3 LEU A 83 -8.315 -0.417 -0.016 1.00 1.25 H new ATOM 0 HG LEU A 83 -6.710 1.817 -1.219 1.00 0.90 H new ATOM 0 HD11 LEU A 83 -8.201 1.315 -3.157 1.00 1.53 H new ATOM 0 HD12 LEU A 83 -7.299 -0.122 -2.618 1.00 1.53 H new ATOM 0 HD13 LEU A 83 -9.015 0.066 -2.185 1.00 1.53 H new ATOM 0 HD21 LEU A 83 -8.666 3.172 -1.584 1.00 2.33 H new ATOM 0 HD22 LEU A 83 -9.598 2.116 -0.496 1.00 2.33 H new ATOM 0 HD23 LEU A 83 -8.211 3.039 0.131 1.00 2.33 H new ATOM 1344 N ALA A 84 -5.937 -0.818 2.451 1.00 1.00 N ATOM 1345 CA ALA A 84 -5.521 -1.953 3.274 1.00 1.05 C ATOM 1346 C ALA A 84 -5.797 -1.710 4.764 1.00 1.06 C ATOM 1347 O ALA A 84 -6.019 -2.653 5.521 1.00 1.23 O ATOM 1348 CB ALA A 84 -4.044 -2.269 3.019 1.00 1.07 C ATOM 0 H ALA A 84 -5.180 -0.413 1.900 1.00 1.00 H new ATOM 0 HA ALA A 84 -6.116 -2.820 2.986 1.00 1.05 H new ATOM 0 HB1 ALA A 84 -3.741 -3.115 3.635 1.00 1.07 H new ATOM 0 HB2 ALA A 84 -3.901 -2.517 1.967 1.00 1.07 H new ATOM 0 HB3 ALA A 84 -3.437 -1.400 3.273 1.00 1.07 H new ATOM 1354 N LYS A 85 -5.805 -0.446 5.191 1.00 0.96 N ATOM 1355 CA LYS A 85 -6.279 -0.050 6.509 1.00 0.97 C ATOM 1356 C LYS A 85 -7.811 -0.087 6.541 1.00 0.94 C ATOM 1357 O LYS A 85 -8.394 -0.804 7.352 1.00 0.97 O ATOM 1358 CB LYS A 85 -5.704 1.339 6.811 1.00 1.06 C ATOM 1359 CG LYS A 85 -6.350 2.135 7.954 1.00 0.94 C ATOM 1360 CD LYS A 85 -6.077 3.634 7.746 1.00 1.86 C ATOM 1361 CE LYS A 85 -4.578 3.914 7.569 1.00 1.32 C ATOM 1362 NZ LYS A 85 -4.285 5.330 7.282 1.00 1.40 N ATOM 0 H LYS A 85 -5.479 0.336 4.623 1.00 0.96 H new ATOM 0 HA LYS A 85 -5.942 -0.738 7.285 1.00 0.97 H new ATOM 0 HB2 LYS A 85 -4.644 1.223 7.037 1.00 1.06 H new ATOM 0 HB3 LYS A 85 -5.772 1.937 5.902 1.00 1.06 H new ATOM 0 HG2 LYS A 85 -7.424 1.949 7.981 1.00 0.94 H new ATOM 0 HG3 LYS A 85 -5.946 1.810 8.913 1.00 0.94 H new ATOM 0 HD2 LYS A 85 -6.620 3.985 6.869 1.00 1.86 H new ATOM 0 HD3 LYS A 85 -6.455 4.196 8.600 1.00 1.86 H new ATOM 0 HE2 LYS A 85 -4.049 3.616 8.474 1.00 1.32 H new ATOM 0 HE3 LYS A 85 -4.193 3.297 6.757 1.00 1.32 H new ATOM 0 HZ1 LYS A 85 -3.259 5.457 7.173 1.00 1.40 H new ATOM 0 HZ2 LYS A 85 -4.764 5.612 6.403 1.00 1.40 H new ATOM 0 HZ3 LYS A 85 -4.625 5.921 8.067 1.00 1.40 H new ATOM 1376 N GLU A 86 -8.464 0.710 5.693 1.00 0.96 N ATOM 1377 CA GLU A 86 -9.905 0.932 5.667 1.00 0.97 C ATOM 1378 C GLU A 86 -10.667 -0.387 5.702 1.00 0.98 C ATOM 1379 O GLU A 86 -11.566 -0.553 6.524 1.00 1.16 O ATOM 1380 CB GLU A 86 -10.280 1.741 4.419 1.00 0.97 C ATOM 1381 CG GLU A 86 -9.730 3.173 4.480 1.00 1.03 C ATOM 1382 CD GLU A 86 -10.714 4.145 5.109 1.00 1.33 C ATOM 1383 OE1 GLU A 86 -11.269 3.835 6.186 1.00 2.05 O ATOM 1384 OE2 GLU A 86 -11.008 5.190 4.488 1.00 2.34 O ATOM 0 H GLU A 86 -7.976 1.242 4.973 1.00 0.96 H new ATOM 0 HA GLU A 86 -10.185 1.496 6.556 1.00 0.97 H new ATOM 0 HB2 GLU A 86 -9.892 1.241 3.532 1.00 0.97 H new ATOM 0 HB3 GLU A 86 -11.365 1.772 4.319 1.00 0.97 H new ATOM 0 HG2 GLU A 86 -8.802 3.179 5.052 1.00 1.03 H new ATOM 0 HG3 GLU A 86 -9.486 3.509 3.472 1.00 1.03 H new ATOM 1391 N ILE A 87 -10.294 -1.338 4.839 1.00 0.88 N ATOM 1392 CA ILE A 87 -10.900 -2.653 4.818 1.00 0.90 C ATOM 1393 C ILE A 87 -10.912 -3.293 6.214 1.00 0.95 C ATOM 1394 O ILE A 87 -11.890 -3.922 6.604 1.00 1.10 O ATOM 1395 CB ILE A 87 -10.179 -3.520 3.769 1.00 0.90 C ATOM 1396 CG1 ILE A 87 -11.071 -4.725 3.453 1.00 1.04 C ATOM 1397 CG2 ILE A 87 -8.790 -3.975 4.225 1.00 1.03 C ATOM 1398 CD1 ILE A 87 -10.669 -5.306 2.109 1.00 0.87 C ATOM 0 H ILE A 87 -9.563 -1.208 4.140 1.00 0.88 H new ATOM 0 HA ILE A 87 -11.948 -2.568 4.529 1.00 0.90 H new ATOM 0 HB ILE A 87 -10.013 -2.918 2.876 1.00 0.90 H new ATOM 0 HG12 ILE A 87 -10.972 -5.480 4.233 1.00 1.04 H new ATOM 0 HG13 ILE A 87 -12.118 -4.422 3.433 1.00 1.04 H new ATOM 0 HG21 ILE A 87 -8.332 -4.582 3.444 1.00 1.03 H new ATOM 0 HG22 ILE A 87 -8.167 -3.102 4.419 1.00 1.03 H new ATOM 0 HG23 ILE A 87 -8.882 -4.565 5.137 1.00 1.03 H new ATOM 0 HD11 ILE A 87 -11.301 -6.164 1.880 1.00 0.87 H new ATOM 0 HD12 ILE A 87 -10.790 -4.549 1.334 1.00 0.87 H new ATOM 0 HD13 ILE A 87 -9.627 -5.623 2.147 1.00 0.87 H new ATOM 1410 N ARG A 88 -9.830 -3.119 6.977 1.00 1.03 N ATOM 1411 CA ARG A 88 -9.637 -3.700 8.297 1.00 1.33 C ATOM 1412 C ARG A 88 -10.323 -2.826 9.361 1.00 1.41 C ATOM 1413 O ARG A 88 -10.748 -3.339 10.405 1.00 1.97 O ATOM 1414 CB ARG A 88 -8.117 -3.870 8.533 1.00 1.69 C ATOM 1415 CG ARG A 88 -7.679 -5.196 9.192 1.00 2.10 C ATOM 1416 CD ARG A 88 -7.429 -5.092 10.704 1.00 2.22 C ATOM 1417 NE ARG A 88 -8.630 -4.644 11.404 1.00 2.50 N ATOM 1418 CZ ARG A 88 -8.665 -4.089 12.622 1.00 3.32 C ATOM 1419 NH1 ARG A 88 -7.695 -4.295 13.517 1.00 3.99 N ATOM 1420 NH2 ARG A 88 -9.711 -3.308 12.906 1.00 4.47 N ATOM 0 H ARG A 88 -9.039 -2.549 6.677 1.00 1.03 H new ATOM 0 HA ARG A 88 -10.100 -4.684 8.369 1.00 1.33 H new ATOM 0 HB2 ARG A 88 -7.608 -3.778 7.574 1.00 1.69 H new ATOM 0 HB3 ARG A 88 -7.772 -3.046 9.157 1.00 1.69 H new ATOM 0 HG2 ARG A 88 -8.446 -5.949 9.012 1.00 2.10 H new ATOM 0 HG3 ARG A 88 -6.768 -5.547 8.707 1.00 2.10 H new ATOM 0 HD2 ARG A 88 -7.118 -6.062 11.092 1.00 2.22 H new ATOM 0 HD3 ARG A 88 -6.612 -4.396 10.894 1.00 2.22 H new ATOM 0 HE ARG A 88 -9.521 -4.765 10.922 1.00 2.50 H new ATOM 0 HH11 ARG A 88 -6.900 -4.889 13.280 1.00 3.99 H new ATOM 0 HH12 ARG A 88 -7.749 -3.859 14.437 1.00 3.99 H new ATOM 0 HH21 ARG A 88 -10.439 -3.157 12.208 1.00 4.47 H new ATOM 0 HH22 ARG A 88 -9.782 -2.863 13.821 1.00 4.47 H new ATOM 1434 N LYS A 89 -10.395 -1.512 9.136 1.00 1.16 N ATOM 1435 CA LYS A 89 -10.791 -0.503 10.115 1.00 1.35 C ATOM 1436 C LYS A 89 -12.197 0.063 9.830 1.00 1.63 C ATOM 1437 O LYS A 89 -12.449 1.228 10.124 1.00 2.06 O ATOM 1438 CB LYS A 89 -9.703 0.592 10.101 1.00 1.35 C ATOM 1439 CG LYS A 89 -9.606 1.432 11.384 1.00 2.16 C ATOM 1440 CD LYS A 89 -8.416 2.392 11.252 1.00 2.39 C ATOM 1441 CE LYS A 89 -7.984 3.103 12.549 1.00 3.61 C ATOM 1442 NZ LYS A 89 -9.071 3.815 13.255 1.00 4.15 N ATOM 0 H LYS A 89 -10.169 -1.107 8.227 1.00 1.16 H new ATOM 0 HA LYS A 89 -10.865 -0.946 11.108 1.00 1.35 H new ATOM 0 HB2 LYS A 89 -8.737 0.120 9.920 1.00 1.35 H new ATOM 0 HB3 LYS A 89 -9.893 1.260 9.261 1.00 1.35 H new ATOM 0 HG2 LYS A 89 -10.528 1.992 11.540 1.00 2.16 H new ATOM 0 HG3 LYS A 89 -9.475 0.785 12.251 1.00 2.16 H new ATOM 0 HD2 LYS A 89 -7.564 1.834 10.864 1.00 2.39 H new ATOM 0 HD3 LYS A 89 -8.665 3.150 10.509 1.00 2.39 H new ATOM 0 HE2 LYS A 89 -7.552 2.365 13.225 1.00 3.61 H new ATOM 0 HE3 LYS A 89 -7.195 3.817 12.311 1.00 3.61 H new ATOM 0 HZ1 LYS A 89 -8.742 4.761 13.534 1.00 4.15 H new ATOM 0 HZ2 LYS A 89 -9.893 3.906 12.625 1.00 4.15 H new ATOM 0 HZ3 LYS A 89 -9.343 3.279 14.104 1.00 4.15 H new ATOM 1456 N LYS A 90 -13.133 -0.727 9.280 1.00 2.24 N ATOM 1457 CA LYS A 90 -14.416 -0.151 8.875 1.00 2.74 C ATOM 1458 C LYS A 90 -15.253 0.326 10.068 1.00 2.84 C ATOM 1459 O LYS A 90 -15.465 1.526 10.209 1.00 3.18 O ATOM 1460 CB LYS A 90 -15.238 -1.144 8.037 1.00 3.73 C ATOM 1461 CG LYS A 90 -14.946 -1.036 6.533 1.00 4.64 C ATOM 1462 CD LYS A 90 -16.033 -1.785 5.749 1.00 5.86 C ATOM 1463 CE LYS A 90 -16.040 -1.408 4.260 1.00 6.83 C ATOM 1464 NZ LYS A 90 -17.161 -2.063 3.556 1.00 8.00 N ATOM 0 H LYS A 90 -13.030 -1.728 9.112 1.00 2.24 H new ATOM 0 HA LYS A 90 -14.172 0.719 8.266 1.00 2.74 H new ATOM 0 HB2 LYS A 90 -15.025 -2.159 8.372 1.00 3.73 H new ATOM 0 HB3 LYS A 90 -16.300 -0.967 8.210 1.00 3.73 H new ATOM 0 HG2 LYS A 90 -14.920 0.011 6.230 1.00 4.64 H new ATOM 0 HG3 LYS A 90 -13.966 -1.457 6.310 1.00 4.64 H new ATOM 0 HD2 LYS A 90 -15.876 -2.859 5.849 1.00 5.86 H new ATOM 0 HD3 LYS A 90 -17.008 -1.564 6.182 1.00 5.86 H new ATOM 0 HE2 LYS A 90 -16.122 -0.326 4.155 1.00 6.83 H new ATOM 0 HE3 LYS A 90 -15.096 -1.702 3.802 1.00 6.83 H new ATOM 0 HZ1 LYS A 90 -17.135 -1.807 2.548 1.00 8.00 H new ATOM 0 HZ2 LYS A 90 -17.077 -3.095 3.653 1.00 8.00 H new ATOM 0 HZ3 LYS A 90 -18.062 -1.749 3.970 1.00 8.00 H new ATOM 1478 N LYS A 91 -15.704 -0.580 10.948 1.00 3.36 N ATOM 1479 CA LYS A 91 -16.695 -0.226 11.977 1.00 4.10 C ATOM 1480 C LYS A 91 -16.171 0.839 12.948 1.00 3.67 C ATOM 1481 O LYS A 91 -16.946 1.544 13.590 1.00 4.37 O ATOM 1482 CB LYS A 91 -17.151 -1.458 12.775 1.00 5.76 C ATOM 1483 CG LYS A 91 -17.797 -2.556 11.921 1.00 7.18 C ATOM 1484 CD LYS A 91 -18.490 -3.567 12.850 1.00 9.05 C ATOM 1485 CE LYS A 91 -19.133 -4.712 12.053 1.00 10.51 C ATOM 1486 NZ LYS A 91 -19.831 -5.680 12.929 1.00 12.12 N ATOM 0 H LYS A 91 -15.402 -1.554 10.969 1.00 3.36 H new ATOM 0 HA LYS A 91 -17.548 0.187 11.439 1.00 4.10 H new ATOM 0 HB2 LYS A 91 -16.291 -1.878 13.297 1.00 5.76 H new ATOM 0 HB3 LYS A 91 -17.862 -1.140 13.537 1.00 5.76 H new ATOM 0 HG2 LYS A 91 -18.520 -2.121 11.231 1.00 7.18 H new ATOM 0 HG3 LYS A 91 -17.041 -3.057 11.316 1.00 7.18 H new ATOM 0 HD2 LYS A 91 -17.764 -3.974 13.553 1.00 9.05 H new ATOM 0 HD3 LYS A 91 -19.253 -3.058 13.439 1.00 9.05 H new ATOM 0 HE2 LYS A 91 -19.841 -4.299 11.334 1.00 10.51 H new ATOM 0 HE3 LYS A 91 -18.364 -5.231 11.481 1.00 10.51 H new ATOM 0 HZ1 LYS A 91 -20.249 -6.435 12.348 1.00 12.12 H new ATOM 0 HZ2 LYS A 91 -19.152 -6.095 13.599 1.00 12.12 H new ATOM 0 HZ3 LYS A 91 -20.583 -5.192 13.456 1.00 12.12 H new ATOM 1500 N ASP A 92 -14.847 0.903 13.071 1.00 3.24 N ATOM 1501 CA ASP A 92 -14.103 1.897 13.821 1.00 3.97 C ATOM 1502 C ASP A 92 -14.431 3.324 13.353 1.00 4.67 C ATOM 1503 O ASP A 92 -14.537 4.222 14.188 1.00 5.40 O ATOM 1504 CB ASP A 92 -12.621 1.525 13.665 1.00 3.99 C ATOM 1505 CG ASP A 92 -11.645 2.663 13.892 1.00 5.51 C ATOM 1506 OD1 ASP A 92 -11.590 3.585 13.051 1.00 6.45 O ATOM 1507 OD2 ASP A 92 -10.758 2.511 14.758 1.00 6.38 O ATOM 0 H ASP A 92 -14.235 0.221 12.622 1.00 3.24 H new ATOM 0 HA ASP A 92 -14.376 1.896 14.876 1.00 3.97 H new ATOM 0 HB2 ASP A 92 -12.388 0.722 14.365 1.00 3.99 H new ATOM 0 HB3 ASP A 92 -12.466 1.128 12.662 1.00 3.99 H new ATOM 1512 N LEU A 93 -14.585 3.536 12.041 1.00 5.30 N ATOM 1513 CA LEU A 93 -14.663 4.857 11.436 1.00 6.82 C ATOM 1514 C LEU A 93 -15.931 4.990 10.586 1.00 7.54 C ATOM 1515 O LEU A 93 -16.713 5.920 10.770 1.00 8.65 O ATOM 1516 CB LEU A 93 -13.374 5.058 10.625 1.00 7.67 C ATOM 1517 CG LEU A 93 -13.427 6.224 9.636 1.00 9.09 C ATOM 1518 CD1 LEU A 93 -13.679 7.570 10.326 1.00 9.86 C ATOM 1519 CD2 LEU A 93 -12.105 6.294 8.863 1.00 9.87 C ATOM 0 H LEU A 93 -14.660 2.777 11.364 1.00 5.30 H new ATOM 0 HA LEU A 93 -14.737 5.639 12.192 1.00 6.82 H new ATOM 0 HB2 LEU A 93 -12.546 5.220 11.315 1.00 7.67 H new ATOM 0 HB3 LEU A 93 -13.157 4.141 10.076 1.00 7.67 H new ATOM 0 HG LEU A 93 -14.263 6.040 8.961 1.00 9.09 H new ATOM 0 HD11 LEU A 93 -13.707 8.363 9.578 1.00 9.86 H new ATOM 0 HD12 LEU A 93 -14.632 7.535 10.854 1.00 9.86 H new ATOM 0 HD13 LEU A 93 -12.877 7.770 11.037 1.00 9.86 H new ATOM 0 HD21 LEU A 93 -12.140 7.124 8.157 1.00 9.87 H new ATOM 0 HD22 LEU A 93 -11.282 6.446 9.562 1.00 9.87 H new ATOM 0 HD23 LEU A 93 -11.952 5.362 8.319 1.00 9.87 H new ATOM 1531 N LYS A 94 -16.123 4.090 9.620 1.00 7.28 N ATOM 1532 CA LYS A 94 -17.334 4.054 8.813 1.00 8.09 C ATOM 1533 C LYS A 94 -18.510 3.610 9.689 1.00 7.11 C ATOM 1534 O LYS A 94 -18.331 3.027 10.757 1.00 6.46 O ATOM 1535 CB LYS A 94 -17.157 3.095 7.620 1.00 8.90 C ATOM 1536 CG LYS A 94 -16.543 3.728 6.362 1.00 10.36 C ATOM 1537 CD LYS A 94 -15.212 4.414 6.664 1.00 11.36 C ATOM 1538 CE LYS A 94 -14.483 4.838 5.385 1.00 13.10 C ATOM 1539 NZ LYS A 94 -13.207 5.498 5.715 1.00 14.18 N ATOM 0 H LYS A 94 -15.443 3.369 9.379 1.00 7.28 H new ATOM 0 HA LYS A 94 -17.535 5.050 8.418 1.00 8.09 H new ATOM 0 HB2 LYS A 94 -16.527 2.262 7.933 1.00 8.90 H new ATOM 0 HB3 LYS A 94 -18.130 2.679 7.361 1.00 8.90 H new ATOM 0 HG2 LYS A 94 -16.392 2.959 5.605 1.00 10.36 H new ATOM 0 HG3 LYS A 94 -17.240 4.454 5.944 1.00 10.36 H new ATOM 0 HD2 LYS A 94 -15.389 5.290 7.288 1.00 11.36 H new ATOM 0 HD3 LYS A 94 -14.577 3.738 7.236 1.00 11.36 H new ATOM 0 HE2 LYS A 94 -14.297 3.965 4.759 1.00 13.10 H new ATOM 0 HE3 LYS A 94 -15.112 5.516 4.808 1.00 13.10 H new ATOM 0 HZ1 LYS A 94 -12.641 5.612 4.850 1.00 14.18 H new ATOM 0 HZ2 LYS A 94 -13.397 6.433 6.130 1.00 14.18 H new ATOM 0 HZ3 LYS A 94 -12.682 4.916 6.398 1.00 14.18 H new ATOM 1553 N ILE A 95 -19.727 3.866 9.202 1.00 7.61 N ATOM 1554 CA ILE A 95 -20.944 3.334 9.794 1.00 7.51 C ATOM 1555 C ILE A 95 -20.799 1.820 10.010 1.00 6.83 C ATOM 1556 O ILE A 95 -20.165 1.125 9.219 1.00 6.75 O ATOM 1557 CB ILE A 95 -22.163 3.710 8.925 1.00 8.73 C ATOM 1558 CG1 ILE A 95 -23.466 3.250 9.604 1.00 9.22 C ATOM 1559 CG2 ILE A 95 -22.045 3.159 7.495 1.00 9.16 C ATOM 1560 CD1 ILE A 95 -24.722 3.810 8.929 1.00 10.73 C ATOM 0 H ILE A 95 -19.890 4.451 8.383 1.00 7.61 H new ATOM 0 HA ILE A 95 -21.111 3.779 10.775 1.00 7.51 H new ATOM 0 HB ILE A 95 -22.187 4.796 8.836 1.00 8.73 H new ATOM 0 HG12 ILE A 95 -23.510 2.161 9.594 1.00 9.22 H new ATOM 0 HG13 ILE A 95 -23.453 3.559 10.649 1.00 9.22 H new ATOM 0 HG21 ILE A 95 -22.925 3.448 6.920 1.00 9.16 H new ATOM 0 HG22 ILE A 95 -21.152 3.566 7.021 1.00 9.16 H new ATOM 0 HG23 ILE A 95 -21.975 2.072 7.529 1.00 9.16 H new ATOM 0 HD11 ILE A 95 -25.608 3.450 9.453 1.00 10.73 H new ATOM 0 HD12 ILE A 95 -24.698 4.899 8.962 1.00 10.73 H new ATOM 0 HD13 ILE A 95 -24.755 3.479 7.891 1.00 10.73 H new ATOM 1572 N ARG A 96 -21.376 1.313 11.102 1.00 6.87 N ATOM 1573 CA ARG A 96 -21.262 -0.082 11.497 1.00 6.76 C ATOM 1574 C ARG A 96 -21.880 -0.981 10.419 1.00 7.12 C ATOM 1575 O ARG A 96 -23.097 -1.151 10.377 1.00 7.89 O ATOM 1576 CB ARG A 96 -21.928 -0.277 12.868 1.00 7.18 C ATOM 1577 CG ARG A 96 -21.199 0.527 13.958 1.00 7.94 C ATOM 1578 CD ARG A 96 -21.910 0.406 15.311 1.00 9.05 C ATOM 1579 NE ARG A 96 -21.221 1.208 16.337 1.00 10.17 N ATOM 1580 CZ ARG A 96 -21.656 1.399 17.594 1.00 11.57 C ATOM 1581 NH1 ARG A 96 -22.791 0.819 18.001 1.00 11.97 N ATOM 1582 NH2 ARG A 96 -20.956 2.168 18.435 1.00 12.86 N ATOM 0 H ARG A 96 -21.942 1.872 11.741 1.00 6.87 H new ATOM 0 HA ARG A 96 -20.213 -0.364 11.591 1.00 6.76 H new ATOM 0 HB2 ARG A 96 -22.971 0.036 12.817 1.00 7.18 H new ATOM 0 HB3 ARG A 96 -21.926 -1.335 13.130 1.00 7.18 H new ATOM 0 HG2 ARG A 96 -20.173 0.170 14.051 1.00 7.94 H new ATOM 0 HG3 ARG A 96 -21.146 1.576 13.665 1.00 7.94 H new ATOM 0 HD2 ARG A 96 -22.943 0.740 15.215 1.00 9.05 H new ATOM 0 HD3 ARG A 96 -21.940 -0.639 15.619 1.00 9.05 H new ATOM 0 HE ARG A 96 -20.343 1.654 16.072 1.00 10.17 H new ATOM 0 HH11 ARG A 96 -23.324 0.234 17.358 1.00 11.97 H new ATOM 0 HH12 ARG A 96 -23.123 0.962 18.955 1.00 11.97 H new ATOM 0 HH21 ARG A 96 -20.091 2.610 18.122 1.00 12.86 H new ATOM 0 HH22 ARG A 96 -21.287 2.313 19.389 1.00 12.86 H new ATOM 1596 N LYS A 97 -21.037 -1.581 9.573 1.00 6.97 N ATOM 1597 CA LYS A 97 -21.380 -2.160 8.284 1.00 7.69 C ATOM 1598 C LYS A 97 -20.129 -2.856 7.745 1.00 7.45 C ATOM 1599 O LYS A 97 -19.010 -2.402 7.987 1.00 7.43 O ATOM 1600 CB LYS A 97 -21.805 -1.105 7.241 1.00 8.83 C ATOM 1601 CG LYS A 97 -23.197 -0.474 7.388 1.00 10.20 C ATOM 1602 CD LYS A 97 -24.332 -1.507 7.357 1.00 10.71 C ATOM 1603 CE LYS A 97 -25.690 -0.793 7.300 1.00 11.94 C ATOM 1604 NZ LYS A 97 -26.822 -1.742 7.282 1.00 12.67 N ATOM 0 H LYS A 97 -20.044 -1.678 9.787 1.00 6.97 H new ATOM 0 HA LYS A 97 -22.220 -2.837 8.437 1.00 7.69 H new ATOM 0 HB2 LYS A 97 -21.069 -0.301 7.259 1.00 8.83 H new ATOM 0 HB3 LYS A 97 -21.749 -1.567 6.255 1.00 8.83 H new ATOM 0 HG2 LYS A 97 -23.242 0.078 8.327 1.00 10.20 H new ATOM 0 HG3 LYS A 97 -23.349 0.248 6.586 1.00 10.20 H new ATOM 0 HD2 LYS A 97 -24.218 -2.159 6.491 1.00 10.71 H new ATOM 0 HD3 LYS A 97 -24.282 -2.141 8.242 1.00 10.71 H new ATOM 0 HE2 LYS A 97 -25.787 -0.132 8.161 1.00 11.94 H new ATOM 0 HE3 LYS A 97 -25.731 -0.165 6.410 1.00 11.94 H new ATOM 0 HZ1 LYS A 97 -27.717 -1.214 7.243 1.00 12.67 H new ATOM 0 HZ2 LYS A 97 -26.746 -2.357 6.447 1.00 12.67 H new ATOM 0 HZ3 LYS A 97 -26.801 -2.324 8.143 1.00 12.67 H new ATOM 1618 N LYS A 98 -20.358 -4.019 7.130 1.00 7.74 N ATOM 1619 CA LYS A 98 -19.412 -4.751 6.299 1.00 8.00 C ATOM 1620 C LYS A 98 -18.721 -3.853 5.265 1.00 8.59 C ATOM 1621 O LYS A 98 -19.211 -2.733 4.990 1.00 9.42 O ATOM 1622 CB LYS A 98 -20.174 -5.884 5.594 1.00 8.69 C ATOM 1623 CG LYS A 98 -21.233 -5.346 4.609 1.00 10.11 C ATOM 1624 CD LYS A 98 -22.263 -6.417 4.225 1.00 11.11 C ATOM 1625 CE LYS A 98 -21.686 -7.443 3.240 1.00 11.63 C ATOM 1626 NZ LYS A 98 -22.211 -8.798 3.485 1.00 11.55 N ATOM 1627 OXT LYS A 98 -17.689 -4.288 4.708 1.00 8.63 O ATOM 0 H LYS A 98 -21.256 -4.496 7.205 1.00 7.74 H new ATOM 0 HA LYS A 98 -18.623 -5.149 6.937 1.00 8.00 H new ATOM 0 HB2 LYS A 98 -19.467 -6.516 5.056 1.00 8.69 H new ATOM 0 HB3 LYS A 98 -20.660 -6.513 6.340 1.00 8.69 H new ATOM 0 HG2 LYS A 98 -21.746 -4.495 5.058 1.00 10.11 H new ATOM 0 HG3 LYS A 98 -20.738 -4.981 3.709 1.00 10.11 H new ATOM 0 HD2 LYS A 98 -22.605 -6.930 5.124 1.00 11.11 H new ATOM 0 HD3 LYS A 98 -23.135 -5.938 3.780 1.00 11.11 H new ATOM 0 HE2 LYS A 98 -21.924 -7.141 2.220 1.00 11.63 H new ATOM 0 HE3 LYS A 98 -20.599 -7.455 3.323 1.00 11.63 H new ATOM 0 HZ1 LYS A 98 -21.784 -9.463 2.810 1.00 11.55 H new ATOM 0 HZ2 LYS A 98 -21.977 -9.091 4.455 1.00 11.55 H new ATOM 0 HZ3 LYS A 98 -23.244 -8.797 3.364 1.00 11.55 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -12.726 -7.715 13.115 1.00 5.45 N ATOM 1643 CA MET B 1 -12.942 -6.652 12.123 1.00 4.43 C ATOM 1644 C MET B 1 -12.782 -7.289 10.741 1.00 4.40 C ATOM 1645 O MET B 1 -11.945 -8.181 10.635 1.00 5.47 O ATOM 1646 CB MET B 1 -14.264 -5.893 12.343 1.00 3.97 C ATOM 1647 CG MET B 1 -14.316 -5.157 13.693 1.00 4.30 C ATOM 1648 SD MET B 1 -12.958 -4.008 14.054 1.00 5.06 S ATOM 1649 CE MET B 1 -13.149 -2.787 12.734 1.00 6.28 C ATOM 0 H1 MET B 1 -12.105 -7.363 13.871 1.00 5.45 H new ATOM 0 H2 MET B 1 -13.639 -8.001 13.522 1.00 5.45 H new ATOM 0 H3 MET B 1 -12.281 -8.534 12.654 1.00 5.45 H new ATOM 0 HA MET B 1 -12.200 -5.861 12.228 1.00 4.43 H new ATOM 0 HB2 MET B 1 -14.402 -5.172 11.537 1.00 3.97 H new ATOM 0 HB3 MET B 1 -15.095 -6.597 12.287 1.00 3.97 H new ATOM 0 HG2 MET B 1 -15.252 -4.601 13.741 1.00 4.30 H new ATOM 0 HG3 MET B 1 -14.348 -5.904 14.486 1.00 4.30 H new ATOM 0 HE1 MET B 1 -12.475 -1.949 12.913 1.00 6.28 H new ATOM 0 HE2 MET B 1 -12.910 -3.247 11.775 1.00 6.28 H new ATOM 0 HE3 MET B 1 -14.178 -2.427 12.717 1.00 6.28 H new ATOM 1661 N ALA B 2 -13.526 -6.845 9.723 1.00 3.73 N ATOM 1662 CA ALA B 2 -13.261 -7.166 8.324 1.00 3.76 C ATOM 1663 C ALA B 2 -13.748 -8.566 7.917 1.00 3.70 C ATOM 1664 O ALA B 2 -14.440 -9.230 8.688 1.00 4.27 O ATOM 1665 CB ALA B 2 -13.905 -6.086 7.453 1.00 4.26 C ATOM 0 H ALA B 2 -14.340 -6.244 9.853 1.00 3.73 H new ATOM 0 HA ALA B 2 -12.181 -7.184 8.178 1.00 3.76 H new ATOM 0 HB1 ALA B 2 -13.719 -6.307 6.402 1.00 4.26 H new ATOM 0 HB2 ALA B 2 -14.980 -6.065 7.634 1.00 4.26 H new ATOM 0 HB3 ALA B 2 -13.476 -5.115 7.701 1.00 4.26 H new ATOM 1671 N ALA B 3 -13.365 -8.976 6.697 1.00 3.79 N ATOM 1672 CA ALA B 3 -13.523 -10.306 6.104 1.00 4.19 C ATOM 1673 C ALA B 3 -14.899 -10.560 5.469 1.00 3.53 C ATOM 1674 O ALA B 3 -15.713 -11.281 6.038 1.00 4.11 O ATOM 1675 CB ALA B 3 -13.114 -11.418 7.080 1.00 5.39 C ATOM 0 H ALA B 3 -12.902 -8.334 6.054 1.00 3.79 H new ATOM 0 HA ALA B 3 -12.827 -10.330 5.266 1.00 4.19 H new ATOM 0 HB1 ALA B 3 -13.246 -12.389 6.602 1.00 5.39 H new ATOM 0 HB2 ALA B 3 -12.068 -11.290 7.359 1.00 5.39 H new ATOM 0 HB3 ALA B 3 -13.737 -11.366 7.973 1.00 5.39 H new ATOM 1681 N GLU B 4 -15.105 -10.046 4.250 1.00 2.89 N ATOM 1682 CA GLU B 4 -16.123 -10.491 3.298 1.00 2.63 C ATOM 1683 C GLU B 4 -15.575 -10.232 1.882 1.00 2.30 C ATOM 1684 O GLU B 4 -14.649 -9.430 1.761 1.00 2.03 O ATOM 1685 CB GLU B 4 -17.461 -9.767 3.538 1.00 2.83 C ATOM 1686 CG GLU B 4 -18.369 -10.549 4.504 1.00 3.96 C ATOM 1687 CD GLU B 4 -19.835 -10.228 4.278 1.00 4.93 C ATOM 1688 OE1 GLU B 4 -20.319 -10.459 3.146 1.00 5.55 O ATOM 1689 OE2 GLU B 4 -20.498 -9.686 5.190 1.00 5.53 O ATOM 0 H GLU B 4 -14.542 -9.277 3.888 1.00 2.89 H new ATOM 0 HA GLU B 4 -16.329 -11.554 3.425 1.00 2.63 H new ATOM 0 HB2 GLU B 4 -17.269 -8.774 3.943 1.00 2.83 H new ATOM 0 HB3 GLU B 4 -17.975 -9.629 2.587 1.00 2.83 H new ATOM 0 HG2 GLU B 4 -18.206 -11.619 4.372 1.00 3.96 H new ATOM 0 HG3 GLU B 4 -18.098 -10.310 5.532 1.00 3.96 H new ATOM 1696 N PRO B 5 -16.086 -10.916 0.840 1.00 2.51 N ATOM 1697 CA PRO B 5 -15.605 -10.786 -0.536 1.00 2.32 C ATOM 1698 C PRO B 5 -15.972 -9.424 -1.136 1.00 1.95 C ATOM 1699 O PRO B 5 -16.860 -8.744 -0.620 1.00 2.18 O ATOM 1700 CB PRO B 5 -16.257 -11.939 -1.306 1.00 2.85 C ATOM 1701 CG PRO B 5 -17.559 -12.171 -0.539 1.00 3.24 C ATOM 1702 CD PRO B 5 -17.144 -11.914 0.909 1.00 3.12 C ATOM 0 HA PRO B 5 -14.517 -10.838 -0.587 1.00 2.32 H new ATOM 0 HB2 PRO B 5 -16.443 -11.675 -2.347 1.00 2.85 H new ATOM 0 HB3 PRO B 5 -15.627 -12.829 -1.311 1.00 2.85 H new ATOM 0 HG2 PRO B 5 -18.346 -11.490 -0.862 1.00 3.24 H new ATOM 0 HG3 PRO B 5 -17.937 -13.184 -0.679 1.00 3.24 H new ATOM 0 HD2 PRO B 5 -17.986 -11.553 1.500 1.00 3.12 H new ATOM 0 HD3 PRO B 5 -16.790 -12.829 1.384 1.00 3.12 H new ATOM 1710 N LEU B 6 -15.256 -9.005 -2.189 1.00 1.63 N ATOM 1711 CA LEU B 6 -15.161 -7.606 -2.581 1.00 1.43 C ATOM 1712 C LEU B 6 -15.385 -7.447 -4.099 1.00 1.42 C ATOM 1713 O LEU B 6 -16.419 -7.879 -4.605 1.00 1.94 O ATOM 1714 CB LEU B 6 -13.804 -7.056 -2.107 1.00 1.54 C ATOM 1715 CG LEU B 6 -13.415 -7.403 -0.654 1.00 1.69 C ATOM 1716 CD1 LEU B 6 -11.896 -7.401 -0.468 1.00 2.37 C ATOM 1717 CD2 LEU B 6 -14.093 -6.454 0.341 1.00 2.26 C ATOM 0 H LEU B 6 -14.727 -9.636 -2.791 1.00 1.63 H new ATOM 0 HA LEU B 6 -15.947 -7.020 -2.105 1.00 1.43 H new ATOM 0 HB2 LEU B 6 -13.027 -7.433 -2.772 1.00 1.54 H new ATOM 0 HB3 LEU B 6 -13.815 -5.971 -2.212 1.00 1.54 H new ATOM 0 HG LEU B 6 -13.771 -8.413 -0.450 1.00 1.69 H new ATOM 0 HD11 LEU B 6 -11.656 -7.649 0.566 1.00 2.37 H new ATOM 0 HD12 LEU B 6 -11.447 -8.140 -1.132 1.00 2.37 H new ATOM 0 HD13 LEU B 6 -11.502 -6.413 -0.705 1.00 2.37 H new ATOM 0 HD21 LEU B 6 -13.801 -6.722 1.356 1.00 2.26 H new ATOM 0 HD22 LEU B 6 -13.786 -5.429 0.134 1.00 2.26 H new ATOM 0 HD23 LEU B 6 -15.175 -6.535 0.242 1.00 2.26 H new ATOM 1729 N THR B 7 -14.469 -6.774 -4.816 1.00 1.46 N ATOM 1730 CA THR B 7 -14.599 -6.438 -6.234 1.00 1.43 C ATOM 1731 C THR B 7 -13.358 -6.845 -7.049 1.00 1.49 C ATOM 1732 O THR B 7 -13.401 -7.863 -7.735 1.00 2.62 O ATOM 1733 CB THR B 7 -15.061 -4.973 -6.394 1.00 1.54 C ATOM 1734 OG1 THR B 7 -14.955 -4.522 -7.730 1.00 1.48 O ATOM 1735 CG2 THR B 7 -14.339 -3.978 -5.482 1.00 1.74 C ATOM 0 H THR B 7 -13.595 -6.442 -4.408 1.00 1.46 H new ATOM 0 HA THR B 7 -15.390 -7.041 -6.680 1.00 1.43 H new ATOM 0 HB THR B 7 -16.108 -4.998 -6.090 1.00 1.54 H new ATOM 0 HG1 THR B 7 -15.259 -3.592 -7.786 1.00 1.48 H new ATOM 0 HG21 THR B 7 -14.725 -2.974 -5.660 1.00 1.74 H new ATOM 0 HG22 THR B 7 -14.507 -4.251 -4.440 1.00 1.74 H new ATOM 0 HG23 THR B 7 -13.270 -3.999 -5.695 1.00 1.74 H new ATOM 1743 N GLU B 8 -12.269 -6.061 -7.026 1.00 1.21 N ATOM 1744 CA GLU B 8 -11.078 -6.319 -7.830 1.00 1.02 C ATOM 1745 C GLU B 8 -9.885 -5.584 -7.215 1.00 0.84 C ATOM 1746 O GLU B 8 -9.026 -6.210 -6.594 1.00 0.80 O ATOM 1747 CB GLU B 8 -11.323 -5.939 -9.298 1.00 1.24 C ATOM 1748 CG GLU B 8 -10.130 -6.338 -10.177 1.00 1.32 C ATOM 1749 CD GLU B 8 -10.409 -6.095 -11.656 1.00 1.76 C ATOM 1750 OE1 GLU B 8 -10.998 -5.032 -11.950 1.00 2.11 O ATOM 1751 OE2 GLU B 8 -10.026 -6.970 -12.460 1.00 2.32 O ATOM 0 H GLU B 8 -12.196 -5.227 -6.444 1.00 1.21 H new ATOM 0 HA GLU B 8 -10.848 -7.384 -7.826 1.00 1.02 H new ATOM 0 HB2 GLU B 8 -12.226 -6.432 -9.659 1.00 1.24 H new ATOM 0 HB3 GLU B 8 -11.493 -4.865 -9.376 1.00 1.24 H new ATOM 0 HG2 GLU B 8 -9.250 -5.770 -9.875 1.00 1.32 H new ATOM 0 HG3 GLU B 8 -9.899 -7.391 -10.019 1.00 1.32 H new ATOM 1758 N LEU B 9 -9.844 -4.249 -7.314 1.00 0.83 N ATOM 1759 CA LEU B 9 -8.872 -3.471 -6.554 1.00 0.78 C ATOM 1760 C LEU B 9 -8.920 -3.868 -5.076 1.00 0.72 C ATOM 1761 O LEU B 9 -7.901 -4.219 -4.482 1.00 0.73 O ATOM 1762 CB LEU B 9 -9.114 -1.969 -6.768 1.00 0.89 C ATOM 1763 CG LEU B 9 -8.167 -1.456 -7.871 1.00 0.85 C ATOM 1764 CD1 LEU B 9 -8.626 -0.114 -8.440 1.00 1.03 C ATOM 1765 CD2 LEU B 9 -6.738 -1.276 -7.331 1.00 1.05 C ATOM 0 H LEU B 9 -10.465 -3.697 -7.905 1.00 0.83 H new ATOM 0 HA LEU B 9 -7.866 -3.689 -6.913 1.00 0.78 H new ATOM 0 HB2 LEU B 9 -10.152 -1.792 -7.051 1.00 0.89 H new ATOM 0 HB3 LEU B 9 -8.940 -1.424 -5.840 1.00 0.89 H new ATOM 0 HG LEU B 9 -8.183 -2.208 -8.660 1.00 0.85 H new ATOM 0 HD11 LEU B 9 -7.930 0.210 -9.214 1.00 1.03 H new ATOM 0 HD12 LEU B 9 -9.622 -0.222 -8.870 1.00 1.03 H new ATOM 0 HD13 LEU B 9 -8.654 0.629 -7.643 1.00 1.03 H new ATOM 0 HD21 LEU B 9 -6.090 -0.913 -8.129 1.00 1.05 H new ATOM 0 HD22 LEU B 9 -6.746 -0.554 -6.514 1.00 1.05 H new ATOM 0 HD23 LEU B 9 -6.364 -2.233 -6.966 1.00 1.05 H new ATOM 1777 N GLU B 10 -10.118 -3.896 -4.506 1.00 0.71 N ATOM 1778 CA GLU B 10 -10.380 -4.378 -3.173 1.00 0.72 C ATOM 1779 C GLU B 10 -9.772 -5.769 -2.940 1.00 0.87 C ATOM 1780 O GLU B 10 -9.115 -5.992 -1.926 1.00 1.27 O ATOM 1781 CB GLU B 10 -11.884 -4.356 -2.924 1.00 0.84 C ATOM 1782 CG GLU B 10 -12.456 -2.959 -2.627 1.00 1.42 C ATOM 1783 CD GLU B 10 -12.665 -1.992 -3.792 1.00 2.66 C ATOM 1784 OE1 GLU B 10 -12.028 -2.180 -4.851 1.00 3.91 O ATOM 1785 OE2 GLU B 10 -13.476 -1.064 -3.596 1.00 3.49 O ATOM 0 H GLU B 10 -10.958 -3.570 -4.984 1.00 0.71 H new ATOM 0 HA GLU B 10 -9.896 -3.719 -2.452 1.00 0.72 H new ATOM 0 HB2 GLU B 10 -12.391 -4.765 -3.798 1.00 0.84 H new ATOM 0 HB3 GLU B 10 -12.111 -5.015 -2.086 1.00 0.84 H new ATOM 0 HG2 GLU B 10 -13.418 -3.093 -2.132 1.00 1.42 H new ATOM 0 HG3 GLU B 10 -11.793 -2.475 -1.910 1.00 1.42 H new ATOM 1792 N GLU B 11 -9.951 -6.705 -3.876 1.00 0.76 N ATOM 1793 CA GLU B 11 -9.349 -8.028 -3.777 1.00 0.74 C ATOM 1794 C GLU B 11 -7.816 -7.917 -3.728 1.00 0.71 C ATOM 1795 O GLU B 11 -7.160 -8.608 -2.952 1.00 0.83 O ATOM 1796 CB GLU B 11 -9.816 -8.920 -4.939 1.00 0.81 C ATOM 1797 CG GLU B 11 -11.347 -9.082 -5.015 1.00 1.79 C ATOM 1798 CD GLU B 11 -11.931 -9.957 -3.903 1.00 3.14 C ATOM 1799 OE1 GLU B 11 -11.159 -10.761 -3.341 1.00 3.53 O ATOM 1800 OE2 GLU B 11 -13.146 -9.816 -3.640 1.00 4.44 O ATOM 0 H GLU B 11 -10.513 -6.565 -4.715 1.00 0.76 H new ATOM 0 HA GLU B 11 -9.677 -8.497 -2.849 1.00 0.74 H new ATOM 0 HB2 GLU B 11 -9.457 -8.498 -5.877 1.00 0.81 H new ATOM 0 HB3 GLU B 11 -9.359 -9.904 -4.837 1.00 0.81 H new ATOM 0 HG2 GLU B 11 -11.810 -8.096 -4.970 1.00 1.79 H new ATOM 0 HG3 GLU B 11 -11.610 -9.514 -5.981 1.00 1.79 H new ATOM 1807 N SER B 12 -7.230 -7.026 -4.544 1.00 0.64 N ATOM 1808 CA SER B 12 -5.778 -6.864 -4.554 1.00 0.64 C ATOM 1809 C SER B 12 -5.262 -6.323 -3.211 1.00 0.62 C ATOM 1810 O SER B 12 -4.231 -6.776 -2.717 1.00 0.71 O ATOM 1811 CB SER B 12 -5.287 -6.073 -5.776 1.00 0.72 C ATOM 1812 OG SER B 12 -5.498 -4.685 -5.651 1.00 1.61 O ATOM 0 H SER B 12 -7.733 -6.420 -5.192 1.00 0.64 H new ATOM 0 HA SER B 12 -5.335 -7.854 -4.665 1.00 0.64 H new ATOM 0 HB2 SER B 12 -4.223 -6.262 -5.922 1.00 0.72 H new ATOM 0 HB3 SER B 12 -5.800 -6.435 -6.667 1.00 0.72 H new ATOM 0 HG SER B 12 -6.330 -4.524 -5.159 1.00 1.61 H new ATOM 1818 N ILE B 13 -5.983 -5.383 -2.587 1.00 0.60 N ATOM 1819 CA ILE B 13 -5.642 -4.951 -1.227 1.00 0.66 C ATOM 1820 C ILE B 13 -5.931 -6.055 -0.199 1.00 0.71 C ATOM 1821 O ILE B 13 -5.174 -6.204 0.759 1.00 0.80 O ATOM 1822 CB ILE B 13 -6.137 -3.525 -0.879 1.00 0.69 C ATOM 1823 CG1 ILE B 13 -7.615 -3.250 -1.148 1.00 0.66 C ATOM 1824 CG2 ILE B 13 -5.290 -2.554 -1.721 1.00 0.71 C ATOM 1825 CD1 ILE B 13 -8.500 -3.633 0.040 1.00 0.76 C ATOM 0 H ILE B 13 -6.792 -4.914 -2.994 1.00 0.60 H new ATOM 0 HA ILE B 13 -4.562 -4.816 -1.179 1.00 0.66 H new ATOM 0 HB ILE B 13 -6.026 -3.400 0.198 1.00 0.69 H new ATOM 0 HG12 ILE B 13 -7.751 -2.192 -1.374 1.00 0.66 H new ATOM 0 HG13 ILE B 13 -7.932 -3.807 -2.029 1.00 0.66 H new ATOM 0 HG21 ILE B 13 -5.598 -1.529 -1.514 1.00 0.71 H new ATOM 0 HG22 ILE B 13 -4.237 -2.675 -1.466 1.00 0.71 H new ATOM 0 HG23 ILE B 13 -5.434 -2.770 -2.780 1.00 0.71 H new ATOM 0 HD11 ILE B 13 -9.542 -3.419 -0.199 1.00 0.76 H new ATOM 0 HD12 ILE B 13 -8.387 -4.697 0.250 1.00 0.76 H new ATOM 0 HD13 ILE B 13 -8.203 -3.056 0.916 1.00 0.76 H new ATOM 1837 N GLU B 14 -6.955 -6.888 -0.416 1.00 0.70 N ATOM 1838 CA GLU B 14 -7.193 -8.041 0.445 1.00 0.77 C ATOM 1839 C GLU B 14 -5.973 -8.966 0.445 1.00 0.75 C ATOM 1840 O GLU B 14 -5.407 -9.205 1.508 1.00 0.78 O ATOM 1841 CB GLU B 14 -8.482 -8.785 0.068 1.00 0.92 C ATOM 1842 CG GLU B 14 -9.093 -9.517 1.277 1.00 1.08 C ATOM 1843 CD GLU B 14 -8.165 -10.555 1.906 1.00 1.77 C ATOM 1844 OE1 GLU B 14 -7.631 -11.386 1.140 1.00 2.79 O ATOM 1845 OE2 GLU B 14 -7.988 -10.487 3.142 1.00 2.25 O ATOM 0 H GLU B 14 -7.626 -6.782 -1.177 1.00 0.70 H new ATOM 0 HA GLU B 14 -7.340 -7.678 1.462 1.00 0.77 H new ATOM 0 HB2 GLU B 14 -9.207 -8.076 -0.333 1.00 0.92 H new ATOM 0 HB3 GLU B 14 -8.269 -9.504 -0.723 1.00 0.92 H new ATOM 0 HG2 GLU B 14 -9.366 -8.782 2.034 1.00 1.08 H new ATOM 0 HG3 GLU B 14 -10.014 -10.009 0.964 1.00 1.08 H new ATOM 1852 N THR B 15 -5.536 -9.459 -0.725 1.00 0.75 N ATOM 1853 CA THR B 15 -4.489 -10.483 -0.772 1.00 0.78 C ATOM 1854 C THR B 15 -3.253 -10.074 0.054 1.00 0.75 C ATOM 1855 O THR B 15 -2.676 -10.879 0.791 1.00 0.82 O ATOM 1856 CB THR B 15 -4.176 -10.952 -2.204 1.00 0.85 C ATOM 1857 OG1 THR B 15 -3.281 -12.044 -2.180 1.00 1.35 O ATOM 1858 CG2 THR B 15 -3.569 -9.880 -3.100 1.00 0.77 C ATOM 0 H THR B 15 -5.888 -9.168 -1.637 1.00 0.75 H new ATOM 0 HA THR B 15 -4.882 -11.374 -0.282 1.00 0.78 H new ATOM 0 HB THR B 15 -5.144 -11.227 -2.623 1.00 0.85 H new ATOM 0 HG1 THR B 15 -3.092 -12.333 -3.097 1.00 1.35 H new ATOM 0 HG21 THR B 15 -3.381 -10.297 -4.089 1.00 0.77 H new ATOM 0 HG22 THR B 15 -4.261 -9.042 -3.185 1.00 0.77 H new ATOM 0 HG23 THR B 15 -2.630 -9.533 -2.668 1.00 0.77 H new ATOM 1866 N VAL B 16 -2.874 -8.794 0.003 1.00 0.69 N ATOM 1867 CA VAL B 16 -1.766 -8.292 0.805 1.00 0.68 C ATOM 1868 C VAL B 16 -2.137 -8.186 2.292 1.00 0.67 C ATOM 1869 O VAL B 16 -1.299 -8.479 3.140 1.00 0.70 O ATOM 1870 CB VAL B 16 -1.155 -7.001 0.234 1.00 0.69 C ATOM 1871 CG1 VAL B 16 -0.673 -7.217 -1.206 1.00 0.76 C ATOM 1872 CG2 VAL B 16 -2.109 -5.808 0.258 1.00 0.69 C ATOM 0 H VAL B 16 -3.320 -8.091 -0.586 1.00 0.69 H new ATOM 0 HA VAL B 16 -0.970 -9.034 0.744 1.00 0.68 H new ATOM 0 HB VAL B 16 -0.316 -6.765 0.889 1.00 0.69 H new ATOM 0 HG11 VAL B 16 -0.245 -6.291 -1.589 1.00 0.76 H new ATOM 0 HG12 VAL B 16 0.084 -8.001 -1.223 1.00 0.76 H new ATOM 0 HG13 VAL B 16 -1.515 -7.513 -1.831 1.00 0.76 H new ATOM 0 HG21 VAL B 16 -1.609 -4.934 -0.160 1.00 0.69 H new ATOM 0 HG22 VAL B 16 -2.994 -6.038 -0.335 1.00 0.69 H new ATOM 0 HG23 VAL B 16 -2.405 -5.600 1.286 1.00 0.69 H new ATOM 1882 N VAL B 17 -3.373 -7.803 2.636 1.00 0.69 N ATOM 1883 CA VAL B 17 -3.843 -7.813 4.020 1.00 0.73 C ATOM 1884 C VAL B 17 -3.795 -9.232 4.601 1.00 0.74 C ATOM 1885 O VAL B 17 -3.322 -9.422 5.719 1.00 0.78 O ATOM 1886 CB VAL B 17 -5.236 -7.164 4.138 1.00 0.80 C ATOM 1887 CG1 VAL B 17 -5.899 -7.431 5.496 1.00 0.89 C ATOM 1888 CG2 VAL B 17 -5.110 -5.646 3.966 1.00 0.85 C ATOM 0 H VAL B 17 -4.069 -7.480 1.964 1.00 0.69 H new ATOM 0 HA VAL B 17 -3.168 -7.204 4.622 1.00 0.73 H new ATOM 0 HB VAL B 17 -5.856 -7.607 3.359 1.00 0.80 H new ATOM 0 HG11 VAL B 17 -6.877 -6.951 5.524 1.00 0.89 H new ATOM 0 HG12 VAL B 17 -6.018 -8.505 5.638 1.00 0.89 H new ATOM 0 HG13 VAL B 17 -5.274 -7.027 6.292 1.00 0.89 H new ATOM 0 HG21 VAL B 17 -6.095 -5.187 4.049 1.00 0.85 H new ATOM 0 HG22 VAL B 17 -4.456 -5.245 4.741 1.00 0.85 H new ATOM 0 HG23 VAL B 17 -4.689 -5.425 2.985 1.00 0.85 H new ATOM 1898 N THR B 18 -4.256 -10.246 3.870 1.00 0.77 N ATOM 1899 CA THR B 18 -4.159 -11.616 4.362 1.00 0.85 C ATOM 1900 C THR B 18 -2.686 -12.060 4.457 1.00 0.82 C ATOM 1901 O THR B 18 -2.296 -12.651 5.467 1.00 0.90 O ATOM 1902 CB THR B 18 -5.089 -12.568 3.591 1.00 0.97 C ATOM 1903 OG1 THR B 18 -5.034 -13.869 4.138 1.00 1.07 O ATOM 1904 CG2 THR B 18 -4.769 -12.635 2.106 1.00 1.11 C ATOM 0 H THR B 18 -4.692 -10.147 2.953 1.00 0.77 H new ATOM 0 HA THR B 18 -4.534 -11.658 5.385 1.00 0.85 H new ATOM 0 HB THR B 18 -6.095 -12.160 3.695 1.00 0.97 H new ATOM 0 HG1 THR B 18 -5.633 -14.460 3.636 1.00 1.07 H new ATOM 0 HG21 THR B 18 -5.458 -13.322 1.616 1.00 1.11 H new ATOM 0 HG22 THR B 18 -4.872 -11.643 1.666 1.00 1.11 H new ATOM 0 HG23 THR B 18 -3.747 -12.988 1.970 1.00 1.11 H new ATOM 1912 N THR B 19 -1.837 -11.725 3.472 1.00 0.78 N ATOM 1913 CA THR B 19 -0.413 -12.048 3.543 1.00 0.81 C ATOM 1914 C THR B 19 0.233 -11.403 4.781 1.00 0.82 C ATOM 1915 O THR B 19 0.944 -12.063 5.537 1.00 0.99 O ATOM 1916 CB THR B 19 0.291 -11.647 2.238 1.00 0.82 C ATOM 1917 OG1 THR B 19 -0.340 -12.279 1.145 1.00 0.86 O ATOM 1918 CG2 THR B 19 1.751 -12.102 2.238 1.00 0.86 C ATOM 0 H THR B 19 -2.116 -11.233 2.623 1.00 0.78 H new ATOM 0 HA THR B 19 -0.298 -13.126 3.655 1.00 0.81 H new ATOM 0 HB THR B 19 0.238 -10.561 2.157 1.00 0.82 H new ATOM 0 HG1 THR B 19 -1.233 -11.896 1.016 1.00 0.86 H new ATOM 0 HG21 THR B 19 2.225 -11.805 1.302 1.00 0.86 H new ATOM 0 HG22 THR B 19 2.276 -11.639 3.074 1.00 0.86 H new ATOM 0 HG23 THR B 19 1.794 -13.187 2.338 1.00 0.86 H new ATOM 1926 N PHE B 20 -0.050 -10.117 5.011 1.00 0.72 N ATOM 1927 CA PHE B 20 0.291 -9.405 6.238 1.00 0.73 C ATOM 1928 C PHE B 20 -0.148 -10.266 7.424 1.00 0.80 C ATOM 1929 O PHE B 20 0.681 -10.709 8.215 1.00 0.91 O ATOM 1930 CB PHE B 20 -0.372 -8.010 6.185 1.00 0.82 C ATOM 1931 CG PHE B 20 -0.255 -7.051 7.365 1.00 1.58 C ATOM 1932 CD1 PHE B 20 -0.855 -7.358 8.607 1.00 2.93 C ATOM 1933 CD2 PHE B 20 0.110 -5.715 7.105 1.00 2.45 C ATOM 1934 CE1 PHE B 20 -0.985 -6.375 9.602 1.00 3.85 C ATOM 1935 CE2 PHE B 20 -0.088 -4.715 8.076 1.00 3.37 C ATOM 1936 CZ PHE B 20 -0.612 -5.049 9.335 1.00 3.76 C ATOM 0 H PHE B 20 -0.534 -9.532 4.330 1.00 0.72 H new ATOM 0 HA PHE B 20 1.362 -9.238 6.351 1.00 0.73 H new ATOM 0 HB2 PHE B 20 0.030 -7.496 5.312 1.00 0.82 H new ATOM 0 HB3 PHE B 20 -1.435 -8.166 6.002 1.00 0.82 H new ATOM 0 HD1 PHE B 20 -1.217 -8.358 8.793 1.00 2.93 H new ATOM 0 HD2 PHE B 20 0.546 -5.456 6.152 1.00 2.45 H new ATOM 0 HE1 PHE B 20 -1.373 -6.640 10.574 1.00 3.85 H new ATOM 0 HE2 PHE B 20 0.164 -3.689 7.852 1.00 3.37 H new ATOM 0 HZ PHE B 20 -0.727 -4.289 10.094 1.00 3.76 H new ATOM 1946 N PHE B 21 -1.453 -10.530 7.527 1.00 0.83 N ATOM 1947 CA PHE B 21 -2.066 -11.196 8.668 1.00 0.96 C ATOM 1948 C PHE B 21 -1.381 -12.526 9.000 1.00 1.04 C ATOM 1949 O PHE B 21 -0.980 -12.752 10.143 1.00 1.11 O ATOM 1950 CB PHE B 21 -3.564 -11.381 8.402 1.00 1.14 C ATOM 1951 CG PHE B 21 -4.354 -11.826 9.615 1.00 1.39 C ATOM 1952 CD1 PHE B 21 -4.734 -10.881 10.586 1.00 2.03 C ATOM 1953 CD2 PHE B 21 -4.762 -13.166 9.746 1.00 2.83 C ATOM 1954 CE1 PHE B 21 -5.577 -11.259 11.644 1.00 2.37 C ATOM 1955 CE2 PHE B 21 -5.590 -13.548 10.815 1.00 3.21 C ATOM 1956 CZ PHE B 21 -6.016 -12.591 11.752 1.00 2.41 C ATOM 0 H PHE B 21 -2.124 -10.279 6.801 1.00 0.83 H new ATOM 0 HA PHE B 21 -1.936 -10.565 9.547 1.00 0.96 H new ATOM 0 HB2 PHE B 21 -3.977 -10.440 8.037 1.00 1.14 H new ATOM 0 HB3 PHE B 21 -3.694 -12.116 7.607 1.00 1.14 H new ATOM 0 HD1 PHE B 21 -4.377 -9.864 10.518 1.00 2.03 H new ATOM 0 HD2 PHE B 21 -4.439 -13.902 9.024 1.00 2.83 H new ATOM 0 HE1 PHE B 21 -5.888 -10.527 12.375 1.00 2.37 H new ATOM 0 HE2 PHE B 21 -5.899 -14.578 10.917 1.00 3.21 H new ATOM 0 HZ PHE B 21 -6.680 -12.878 12.554 1.00 2.41 H new ATOM 1966 N THR B 22 -1.243 -13.409 8.007 1.00 1.10 N ATOM 1967 CA THR B 22 -0.716 -14.747 8.242 1.00 1.20 C ATOM 1968 C THR B 22 0.718 -14.708 8.781 1.00 1.16 C ATOM 1969 O THR B 22 1.094 -15.596 9.543 1.00 1.39 O ATOM 1970 CB THR B 22 -0.894 -15.655 7.011 1.00 1.32 C ATOM 1971 OG1 THR B 22 -0.681 -17.016 7.349 1.00 2.57 O ATOM 1972 CG2 THR B 22 0.037 -15.291 5.855 1.00 2.67 C ATOM 0 H THR B 22 -1.490 -13.218 7.036 1.00 1.10 H new ATOM 0 HA THR B 22 -1.311 -15.206 9.032 1.00 1.20 H new ATOM 0 HB THR B 22 -1.921 -15.500 6.681 1.00 1.32 H new ATOM 0 HG1 THR B 22 0.268 -17.235 7.243 1.00 2.57 H new ATOM 0 HG21 THR B 22 -0.139 -15.968 5.019 1.00 2.67 H new ATOM 0 HG22 THR B 22 -0.159 -14.266 5.539 1.00 2.67 H new ATOM 0 HG23 THR B 22 1.073 -15.378 6.181 1.00 2.67 H new ATOM 1980 N PHE B 23 1.521 -13.698 8.434 1.00 1.02 N ATOM 1981 CA PHE B 23 2.818 -13.500 9.077 1.00 1.00 C ATOM 1982 C PHE B 23 2.676 -12.771 10.417 1.00 0.88 C ATOM 1983 O PHE B 23 3.338 -13.109 11.385 1.00 0.94 O ATOM 1984 CB PHE B 23 3.778 -12.786 8.119 1.00 1.15 C ATOM 1985 CG PHE B 23 3.962 -13.463 6.768 1.00 1.14 C ATOM 1986 CD1 PHE B 23 3.916 -14.868 6.643 1.00 2.35 C ATOM 1987 CD2 PHE B 23 4.148 -12.674 5.616 1.00 2.18 C ATOM 1988 CE1 PHE B 23 3.934 -15.464 5.371 1.00 3.00 C ATOM 1989 CE2 PHE B 23 4.237 -13.279 4.352 1.00 2.99 C ATOM 1990 CZ PHE B 23 4.082 -14.668 4.227 1.00 3.01 C ATOM 0 H PHE B 23 1.295 -13.010 7.716 1.00 1.02 H new ATOM 0 HA PHE B 23 3.246 -14.475 9.307 1.00 1.00 H new ATOM 0 HB2 PHE B 23 3.414 -11.772 7.954 1.00 1.15 H new ATOM 0 HB3 PHE B 23 4.752 -12.701 8.601 1.00 1.15 H new ATOM 0 HD1 PHE B 23 3.867 -15.486 7.527 1.00 2.35 H new ATOM 0 HD2 PHE B 23 4.222 -11.600 5.705 1.00 2.18 H new ATOM 0 HE1 PHE B 23 3.834 -16.535 5.275 1.00 3.00 H new ATOM 0 HE2 PHE B 23 4.425 -12.675 3.476 1.00 2.99 H new ATOM 0 HZ PHE B 23 4.077 -15.124 3.248 1.00 3.01 H new ATOM 2000 N ALA B 24 1.805 -11.773 10.488 1.00 0.77 N ATOM 2001 CA ALA B 24 1.673 -10.804 11.564 1.00 0.75 C ATOM 2002 C ALA B 24 1.352 -11.454 12.902 1.00 0.83 C ATOM 2003 O ALA B 24 1.630 -10.872 13.954 1.00 0.90 O ATOM 2004 CB ALA B 24 0.595 -9.790 11.206 1.00 0.80 C ATOM 0 H ALA B 24 1.127 -11.610 9.744 1.00 0.77 H new ATOM 0 HA ALA B 24 2.636 -10.307 11.676 1.00 0.75 H new ATOM 0 HB1 ALA B 24 0.496 -9.064 12.013 1.00 0.80 H new ATOM 0 HB2 ALA B 24 0.871 -9.275 10.286 1.00 0.80 H new ATOM 0 HB3 ALA B 24 -0.355 -10.304 11.063 1.00 0.80 H new ATOM 2010 N ARG B 25 0.741 -12.636 12.873 1.00 0.94 N ATOM 2011 CA ARG B 25 0.526 -13.439 14.069 1.00 1.15 C ATOM 2012 C ARG B 25 1.829 -13.796 14.789 1.00 1.26 C ATOM 2013 O ARG B 25 1.771 -14.022 15.994 1.00 1.52 O ATOM 2014 CB ARG B 25 -0.303 -14.696 13.762 1.00 1.30 C ATOM 2015 CG ARG B 25 0.177 -15.438 12.514 1.00 1.60 C ATOM 2016 CD ARG B 25 -0.405 -16.853 12.435 1.00 1.77 C ATOM 2017 NE ARG B 25 -0.191 -17.390 11.086 1.00 2.90 N ATOM 2018 CZ ARG B 25 -0.539 -18.599 10.630 1.00 3.57 C ATOM 2019 NH1 ARG B 25 -0.951 -19.539 11.487 1.00 3.32 N ATOM 2020 NH2 ARG B 25 -0.479 -18.850 9.319 1.00 5.09 N ATOM 0 H ARG B 25 0.382 -13.062 12.019 1.00 0.94 H new ATOM 0 HA ARG B 25 -0.047 -12.816 14.756 1.00 1.15 H new ATOM 0 HB2 ARG B 25 -0.261 -15.370 14.617 1.00 1.30 H new ATOM 0 HB3 ARG B 25 -1.347 -14.413 13.630 1.00 1.30 H new ATOM 0 HG2 ARG B 25 -0.110 -14.877 11.625 1.00 1.60 H new ATOM 0 HG3 ARG B 25 1.266 -15.492 12.520 1.00 1.60 H new ATOM 0 HD2 ARG B 25 0.071 -17.496 13.175 1.00 1.77 H new ATOM 0 HD3 ARG B 25 -1.470 -16.834 12.667 1.00 1.77 H new ATOM 0 HE ARG B 25 0.275 -16.772 10.422 1.00 2.90 H new ATOM 0 HH11 ARG B 25 -0.999 -19.333 12.485 1.00 3.32 H new ATOM 0 HH12 ARG B 25 -1.217 -20.462 11.143 1.00 3.32 H new ATOM 0 HH21 ARG B 25 -0.170 -18.123 8.674 1.00 5.09 H new ATOM 0 HH22 ARG B 25 -0.742 -19.769 8.963 1.00 5.09 H new ATOM 2034 N GLN B 26 2.962 -13.908 14.080 1.00 1.16 N ATOM 2035 CA GLN B 26 4.059 -14.732 14.568 1.00 1.29 C ATOM 2036 C GLN B 26 4.512 -14.443 16.006 1.00 1.52 C ATOM 2037 O GLN B 26 4.484 -15.348 16.838 1.00 1.76 O ATOM 2038 CB GLN B 26 5.253 -14.563 13.618 1.00 1.15 C ATOM 2039 CG GLN B 26 6.077 -15.804 13.367 1.00 1.32 C ATOM 2040 CD GLN B 26 5.429 -16.762 12.364 1.00 1.46 C ATOM 2041 OE1 GLN B 26 4.251 -17.089 12.480 1.00 1.65 O ATOM 2042 NE2 GLN B 26 6.166 -17.223 11.357 1.00 2.12 N ATOM 0 H GLN B 26 3.134 -13.446 13.187 1.00 1.16 H new ATOM 0 HA GLN B 26 3.681 -15.754 14.588 1.00 1.29 H new ATOM 0 HB2 GLN B 26 4.882 -14.197 12.661 1.00 1.15 H new ATOM 0 HB3 GLN B 26 5.908 -13.791 14.022 1.00 1.15 H new ATOM 0 HG2 GLN B 26 7.060 -15.512 12.998 1.00 1.32 H new ATOM 0 HG3 GLN B 26 6.233 -16.326 14.311 1.00 1.32 H new ATOM 0 HE21 GLN B 26 7.143 -16.944 11.271 1.00 2.12 H new ATOM 0 HE22 GLN B 26 5.754 -17.855 10.671 1.00 2.12 H new ATOM 2051 N GLU B 27 5.033 -13.239 16.273 1.00 1.55 N ATOM 2052 CA GLU B 27 5.734 -13.002 17.527 1.00 1.78 C ATOM 2053 C GLU B 27 4.791 -12.539 18.645 1.00 1.83 C ATOM 2054 O GLU B 27 4.389 -13.318 19.506 1.00 1.74 O ATOM 2055 CB GLU B 27 6.800 -11.924 17.251 1.00 1.97 C ATOM 2056 CG GLU B 27 7.989 -12.377 16.394 1.00 2.13 C ATOM 2057 CD GLU B 27 8.928 -11.195 16.136 1.00 2.66 C ATOM 2058 OE1 GLU B 27 8.426 -10.085 15.843 1.00 3.33 O ATOM 2059 OE2 GLU B 27 10.158 -11.392 16.232 1.00 2.95 O ATOM 0 H GLU B 27 4.981 -12.434 15.649 1.00 1.55 H new ATOM 0 HA GLU B 27 6.183 -13.933 17.873 1.00 1.78 H new ATOM 0 HB2 GLU B 27 6.319 -11.080 16.757 1.00 1.97 H new ATOM 0 HB3 GLU B 27 7.180 -11.560 18.206 1.00 1.97 H new ATOM 0 HG2 GLU B 27 8.529 -13.177 16.900 1.00 2.13 H new ATOM 0 HG3 GLU B 27 7.632 -12.782 15.447 1.00 2.13 H new ATOM 2066 N GLY B 28 4.390 -11.264 18.597 1.00 2.14 N ATOM 2067 CA GLY B 28 3.219 -10.675 19.223 1.00 2.15 C ATOM 2068 C GLY B 28 2.042 -10.656 18.261 1.00 1.47 C ATOM 2069 O GLY B 28 2.276 -10.616 17.053 1.00 1.39 O ATOM 0 H GLY B 28 4.924 -10.569 18.076 1.00 2.14 H new ATOM 0 HA2 GLY B 28 2.955 -11.242 20.116 1.00 2.15 H new ATOM 0 HA3 GLY B 28 3.446 -9.659 19.546 1.00 2.15 H new ATOM 2073 N ARG B 29 0.833 -10.425 18.786 1.00 1.45 N ATOM 2074 CA ARG B 29 -0.190 -9.572 18.172 1.00 1.28 C ATOM 2075 C ARG B 29 -0.313 -9.663 16.644 1.00 1.10 C ATOM 2076 O ARG B 29 0.489 -9.074 15.907 1.00 1.02 O ATOM 2077 CB ARG B 29 0.026 -8.112 18.580 1.00 1.46 C ATOM 2078 CG ARG B 29 -0.430 -7.812 20.013 1.00 1.69 C ATOM 2079 CD ARG B 29 -0.176 -6.323 20.263 1.00 1.87 C ATOM 2080 NE ARG B 29 -0.813 -5.825 21.492 1.00 2.41 N ATOM 2081 CZ ARG B 29 -0.782 -4.527 21.844 1.00 2.93 C ATOM 2082 NH1 ARG B 29 -0.162 -3.656 21.051 1.00 3.63 N ATOM 2083 NH2 ARG B 29 -1.368 -4.112 22.972 1.00 3.62 N ATOM 0 H ARG B 29 0.532 -10.836 19.670 1.00 1.45 H new ATOM 0 HA ARG B 29 -1.133 -9.961 18.557 1.00 1.28 H new ATOM 0 HB2 ARG B 29 1.084 -7.867 18.483 1.00 1.46 H new ATOM 0 HB3 ARG B 29 -0.515 -7.465 17.890 1.00 1.46 H new ATOM 0 HG2 ARG B 29 -1.486 -8.049 20.139 1.00 1.69 H new ATOM 0 HG3 ARG B 29 0.121 -8.422 20.728 1.00 1.69 H new ATOM 0 HD2 ARG B 29 0.898 -6.149 20.322 1.00 1.87 H new ATOM 0 HD3 ARG B 29 -0.545 -5.750 19.412 1.00 1.87 H new ATOM 0 HE ARG B 29 -1.295 -6.488 22.099 1.00 2.41 H new ATOM 0 HH11 ARG B 29 0.281 -3.976 20.190 1.00 3.63 H new ATOM 0 HH12 ARG B 29 -0.130 -2.669 21.304 1.00 3.63 H new ATOM 0 HH21 ARG B 29 -1.845 -4.782 23.575 1.00 3.62 H new ATOM 0 HH22 ARG B 29 -1.338 -3.125 23.229 1.00 3.62 H new ATOM 2097 N LYS B 30 -1.343 -10.372 16.182 1.00 1.15 N ATOM 2098 CA LYS B 30 -1.709 -10.494 14.777 1.00 1.09 C ATOM 2099 C LYS B 30 -1.917 -9.151 14.067 1.00 1.14 C ATOM 2100 O LYS B 30 -1.700 -9.054 12.866 1.00 2.10 O ATOM 2101 CB LYS B 30 -2.960 -11.382 14.667 1.00 1.30 C ATOM 2102 CG LYS B 30 -4.224 -10.657 15.161 1.00 1.67 C ATOM 2103 CD LYS B 30 -5.356 -11.650 15.447 1.00 1.89 C ATOM 2104 CE LYS B 30 -6.720 -10.952 15.581 1.00 2.59 C ATOM 2105 NZ LYS B 30 -6.687 -9.793 16.498 1.00 3.97 N ATOM 0 H LYS B 30 -1.965 -10.894 16.800 1.00 1.15 H new ATOM 0 HA LYS B 30 -0.868 -10.955 14.259 1.00 1.09 H new ATOM 0 HB2 LYS B 30 -3.099 -11.687 13.630 1.00 1.30 H new ATOM 0 HB3 LYS B 30 -2.812 -12.291 15.250 1.00 1.30 H new ATOM 0 HG2 LYS B 30 -3.993 -10.094 16.065 1.00 1.67 H new ATOM 0 HG3 LYS B 30 -4.550 -9.936 14.411 1.00 1.67 H new ATOM 0 HD2 LYS B 30 -5.403 -12.386 14.644 1.00 1.89 H new ATOM 0 HD3 LYS B 30 -5.136 -12.194 16.365 1.00 1.89 H new ATOM 0 HE2 LYS B 30 -7.051 -10.620 14.597 1.00 2.59 H new ATOM 0 HE3 LYS B 30 -7.457 -11.671 15.939 1.00 2.59 H new ATOM 0 HZ1 LYS B 30 -7.646 -9.405 16.601 1.00 3.97 H new ATOM 0 HZ2 LYS B 30 -6.334 -10.096 17.428 1.00 3.97 H new ATOM 0 HZ3 LYS B 30 -6.057 -9.062 16.111 1.00 3.97 H new ATOM 2119 N ASP B 31 -2.393 -8.125 14.777 1.00 1.27 N ATOM 2120 CA ASP B 31 -2.747 -6.862 14.144 1.00 1.35 C ATOM 2121 C ASP B 31 -1.510 -6.004 13.866 1.00 1.33 C ATOM 2122 O ASP B 31 -1.486 -5.272 12.882 1.00 1.59 O ATOM 2123 CB ASP B 31 -3.792 -6.117 14.987 1.00 1.69 C ATOM 2124 CG ASP B 31 -5.181 -6.701 14.775 1.00 2.97 C ATOM 2125 OD1 ASP B 31 -5.498 -7.689 15.477 1.00 3.93 O ATOM 2126 OD2 ASP B 31 -5.907 -6.163 13.906 1.00 4.05 O ATOM 0 H ASP B 31 -2.540 -8.148 15.786 1.00 1.27 H new ATOM 0 HA ASP B 31 -3.195 -7.078 13.174 1.00 1.35 H new ATOM 0 HB2 ASP B 31 -3.525 -6.179 16.042 1.00 1.69 H new ATOM 0 HB3 ASP B 31 -3.793 -5.060 14.720 1.00 1.69 H new ATOM 2131 N SER B 32 -0.488 -6.071 14.722 1.00 1.21 N ATOM 2132 CA SER B 32 0.726 -5.292 14.556 1.00 1.31 C ATOM 2133 C SER B 32 1.809 -6.184 13.962 1.00 1.28 C ATOM 2134 O SER B 32 2.076 -7.273 14.482 1.00 1.17 O ATOM 2135 CB SER B 32 1.153 -4.698 15.905 1.00 1.47 C ATOM 2136 OG SER B 32 1.057 -5.640 16.955 1.00 1.69 O ATOM 0 H SER B 32 -0.486 -6.669 15.548 1.00 1.21 H new ATOM 0 HA SER B 32 0.553 -4.460 13.873 1.00 1.31 H new ATOM 0 HB2 SER B 32 2.180 -4.339 15.834 1.00 1.47 H new ATOM 0 HB3 SER B 32 0.528 -3.835 16.135 1.00 1.47 H new ATOM 0 HG SER B 32 0.996 -5.169 17.812 1.00 1.69 H new ATOM 2142 N LEU B 33 2.475 -5.730 12.901 1.00 1.53 N ATOM 2143 CA LEU B 33 3.748 -6.319 12.528 1.00 1.51 C ATOM 2144 C LEU B 33 4.767 -6.037 13.628 1.00 1.49 C ATOM 2145 O LEU B 33 4.497 -5.360 14.624 1.00 1.82 O ATOM 2146 CB LEU B 33 4.210 -5.880 11.130 1.00 1.52 C ATOM 2147 CG LEU B 33 3.735 -6.819 10.015 1.00 1.35 C ATOM 2148 CD1 LEU B 33 4.436 -8.177 10.025 1.00 1.72 C ATOM 2149 CD2 LEU B 33 2.219 -6.945 10.008 1.00 1.98 C ATOM 0 H LEU B 33 2.157 -4.971 12.298 1.00 1.53 H new ATOM 0 HA LEU B 33 3.635 -7.400 12.444 1.00 1.51 H new ATOM 0 HB2 LEU B 33 3.840 -4.874 10.931 1.00 1.52 H new ATOM 0 HB3 LEU B 33 5.299 -5.828 11.114 1.00 1.52 H new ATOM 0 HG LEU B 33 4.029 -6.356 9.073 1.00 1.35 H new ATOM 0 HD11 LEU B 33 4.052 -8.791 9.210 1.00 1.72 H new ATOM 0 HD12 LEU B 33 5.509 -8.034 9.897 1.00 1.72 H new ATOM 0 HD13 LEU B 33 4.248 -8.677 10.975 1.00 1.72 H new ATOM 0 HD21 LEU B 33 1.913 -7.617 9.206 1.00 1.98 H new ATOM 0 HD22 LEU B 33 1.883 -7.345 10.965 1.00 1.98 H new ATOM 0 HD23 LEU B 33 1.773 -5.963 9.848 1.00 1.98 H new ATOM 2161 N SER B 34 5.908 -6.686 13.492 1.00 1.64 N ATOM 2162 CA SER B 34 6.812 -7.037 14.559 1.00 1.49 C ATOM 2163 C SER B 34 8.185 -7.231 13.911 1.00 1.34 C ATOM 2164 O SER B 34 8.358 -6.958 12.721 1.00 1.70 O ATOM 2165 CB SER B 34 6.234 -8.201 15.391 1.00 2.11 C ATOM 2166 OG SER B 34 4.840 -8.002 15.686 1.00 3.57 O ATOM 0 H SER B 34 6.243 -6.998 12.580 1.00 1.64 H new ATOM 0 HA SER B 34 6.939 -6.263 15.316 1.00 1.49 H new ATOM 0 HB2 SER B 34 6.361 -9.136 14.846 1.00 2.11 H new ATOM 0 HB3 SER B 34 6.793 -8.296 16.322 1.00 2.11 H new ATOM 2172 N VAL B 35 9.137 -7.691 14.707 1.00 1.31 N ATOM 2173 CA VAL B 35 10.548 -7.912 14.446 1.00 1.16 C ATOM 2174 C VAL B 35 10.498 -9.126 13.533 1.00 1.58 C ATOM 2175 O VAL B 35 10.253 -8.939 12.335 1.00 3.12 O ATOM 2176 CB VAL B 35 11.376 -8.010 15.739 1.00 1.91 C ATOM 2177 CG1 VAL B 35 12.852 -8.350 15.472 1.00 1.67 C ATOM 2178 CG2 VAL B 35 11.350 -6.626 16.398 1.00 3.13 C ATOM 0 H VAL B 35 8.909 -7.949 15.667 1.00 1.31 H new ATOM 0 HA VAL B 35 11.085 -7.095 13.964 1.00 1.16 H new ATOM 0 HB VAL B 35 10.948 -8.799 16.357 1.00 1.91 H new ATOM 0 HG11 VAL B 35 13.389 -8.407 16.419 1.00 1.67 H new ATOM 0 HG12 VAL B 35 12.917 -9.310 14.960 1.00 1.67 H new ATOM 0 HG13 VAL B 35 13.297 -7.575 14.848 1.00 1.67 H new ATOM 0 HG21 VAL B 35 11.928 -6.652 17.322 1.00 3.13 H new ATOM 0 HG22 VAL B 35 11.784 -5.892 15.719 1.00 3.13 H new ATOM 0 HG23 VAL B 35 10.320 -6.349 16.622 1.00 3.13 H new ATOM 2188 N ASN B 36 10.945 -10.305 13.932 1.00 0.91 N ATOM 2189 CA ASN B 36 10.960 -11.456 13.033 1.00 1.10 C ATOM 2190 C ASN B 36 9.523 -12.012 12.856 1.00 0.98 C ATOM 2191 O ASN B 36 9.226 -13.180 13.095 1.00 1.32 O ATOM 2192 CB ASN B 36 11.922 -12.487 13.633 1.00 1.51 C ATOM 2193 CG ASN B 36 12.314 -13.591 12.654 1.00 1.89 C ATOM 2194 OD1 ASN B 36 13.387 -13.544 12.062 1.00 2.38 O ATOM 2195 ND2 ASN B 36 11.446 -14.576 12.483 1.00 2.01 N ATOM 0 H ASN B 36 11.302 -10.494 14.869 1.00 0.91 H new ATOM 0 HA ASN B 36 11.305 -11.184 12.035 1.00 1.10 H new ATOM 0 HB2 ASN B 36 12.823 -11.977 13.974 1.00 1.51 H new ATOM 0 HB3 ASN B 36 11.459 -12.937 14.511 1.00 1.51 H new ATOM 0 HD21 ASN B 36 11.658 -15.337 11.837 1.00 2.01 H new ATOM 0 HD22 ASN B 36 10.565 -14.574 12.997 1.00 2.01 H new ATOM 2202 N GLU B 37 8.665 -11.118 12.347 1.00 0.94 N ATOM 2203 CA GLU B 37 7.542 -11.243 11.435 1.00 0.95 C ATOM 2204 C GLU B 37 7.892 -10.475 10.163 1.00 0.89 C ATOM 2205 O GLU B 37 7.795 -11.001 9.057 1.00 0.95 O ATOM 2206 CB GLU B 37 6.326 -10.535 12.020 1.00 1.21 C ATOM 2207 CG GLU B 37 5.702 -11.396 13.094 1.00 0.84 C ATOM 2208 CD GLU B 37 4.654 -10.639 13.867 1.00 0.99 C ATOM 2209 OE1 GLU B 37 4.120 -9.617 13.391 1.00 2.45 O ATOM 2210 OE2 GLU B 37 4.332 -10.981 15.022 1.00 1.60 O ATOM 0 H GLU B 37 8.771 -10.140 12.616 1.00 0.94 H new ATOM 0 HA GLU B 37 7.337 -12.298 11.256 1.00 0.95 H new ATOM 0 HB2 GLU B 37 6.620 -9.572 12.438 1.00 1.21 H new ATOM 0 HB3 GLU B 37 5.598 -10.333 11.234 1.00 1.21 H new ATOM 0 HG2 GLU B 37 5.253 -12.279 12.639 1.00 0.84 H new ATOM 0 HG3 GLU B 37 6.476 -11.747 13.776 1.00 0.84 H new ATOM 2217 N PHE B 38 8.298 -9.206 10.308 1.00 0.86 N ATOM 2218 CA PHE B 38 8.784 -8.458 9.168 1.00 0.81 C ATOM 2219 C PHE B 38 9.941 -9.246 8.555 1.00 0.63 C ATOM 2220 O PHE B 38 9.915 -9.549 7.361 1.00 0.67 O ATOM 2221 CB PHE B 38 9.195 -7.040 9.592 1.00 0.89 C ATOM 2222 CG PHE B 38 9.702 -6.127 8.485 1.00 1.12 C ATOM 2223 CD1 PHE B 38 9.439 -6.395 7.125 1.00 2.07 C ATOM 2224 CD2 PHE B 38 10.429 -4.972 8.829 1.00 2.22 C ATOM 2225 CE1 PHE B 38 9.976 -5.572 6.124 1.00 2.51 C ATOM 2226 CE2 PHE B 38 10.934 -4.131 7.822 1.00 2.89 C ATOM 2227 CZ PHE B 38 10.727 -4.440 6.470 1.00 2.60 C ATOM 0 H PHE B 38 8.296 -8.694 11.190 1.00 0.86 H new ATOM 0 HA PHE B 38 8.003 -8.334 8.417 1.00 0.81 H new ATOM 0 HB2 PHE B 38 8.337 -6.562 10.064 1.00 0.89 H new ATOM 0 HB3 PHE B 38 9.973 -7.122 10.352 1.00 0.89 H new ATOM 0 HD1 PHE B 38 8.821 -7.238 6.853 1.00 2.07 H new ATOM 0 HD2 PHE B 38 10.599 -4.731 9.868 1.00 2.22 H new ATOM 0 HE1 PHE B 38 9.810 -5.811 5.084 1.00 2.51 H new ATOM 0 HE2 PHE B 38 11.485 -3.242 8.091 1.00 2.89 H new ATOM 0 HZ PHE B 38 11.144 -3.809 5.699 1.00 2.60 H new ATOM 2237 N LYS B 39 10.908 -9.652 9.392 1.00 0.57 N ATOM 2238 CA LYS B 39 12.041 -10.434 8.909 1.00 0.62 C ATOM 2239 C LYS B 39 11.559 -11.705 8.195 1.00 0.65 C ATOM 2240 O LYS B 39 12.090 -12.051 7.140 1.00 0.73 O ATOM 2241 CB LYS B 39 13.094 -10.688 9.997 1.00 0.80 C ATOM 2242 CG LYS B 39 14.524 -10.711 9.418 1.00 1.00 C ATOM 2243 CD LYS B 39 15.551 -10.930 10.551 1.00 1.49 C ATOM 2244 CE LYS B 39 16.910 -10.232 10.327 1.00 1.95 C ATOM 2245 NZ LYS B 39 16.842 -8.771 10.543 1.00 2.96 N ATOM 0 H LYS B 39 10.923 -9.452 10.392 1.00 0.57 H new ATOM 0 HA LYS B 39 12.567 -9.840 8.162 1.00 0.62 H new ATOM 0 HB2 LYS B 39 13.023 -9.912 10.759 1.00 0.80 H new ATOM 0 HB3 LYS B 39 12.886 -11.638 10.489 1.00 0.80 H new ATOM 0 HG2 LYS B 39 14.612 -11.506 8.678 1.00 1.00 H new ATOM 0 HG3 LYS B 39 14.732 -9.772 8.904 1.00 1.00 H new ATOM 0 HD2 LYS B 39 15.123 -10.571 11.487 1.00 1.49 H new ATOM 0 HD3 LYS B 39 15.721 -12.000 10.668 1.00 1.49 H new ATOM 0 HE2 LYS B 39 17.650 -10.661 11.002 1.00 1.95 H new ATOM 0 HE3 LYS B 39 17.253 -10.430 9.311 1.00 1.95 H new ATOM 0 HZ1 LYS B 39 17.745 -8.337 10.266 1.00 2.96 H new ATOM 0 HZ2 LYS B 39 16.074 -8.370 9.967 1.00 2.96 H new ATOM 0 HZ3 LYS B 39 16.658 -8.577 11.548 1.00 2.96 H new ATOM 2259 N GLU B 40 10.516 -12.360 8.719 1.00 0.66 N ATOM 2260 CA GLU B 40 9.917 -13.526 8.079 1.00 0.69 C ATOM 2261 C GLU B 40 9.474 -13.194 6.656 1.00 0.57 C ATOM 2262 O GLU B 40 9.731 -13.977 5.750 1.00 0.60 O ATOM 2263 CB GLU B 40 8.719 -14.074 8.873 1.00 0.90 C ATOM 2264 CG GLU B 40 9.083 -14.457 10.306 1.00 1.30 C ATOM 2265 CD GLU B 40 9.579 -15.889 10.426 1.00 1.58 C ATOM 2266 OE1 GLU B 40 8.703 -16.762 10.607 1.00 2.54 O ATOM 2267 OE2 GLU B 40 10.815 -16.070 10.374 1.00 2.55 O ATOM 0 H GLU B 40 10.068 -12.094 9.596 1.00 0.66 H new ATOM 0 HA GLU B 40 10.686 -14.298 8.052 1.00 0.69 H new ATOM 0 HB2 GLU B 40 7.928 -13.324 8.892 1.00 0.90 H new ATOM 0 HB3 GLU B 40 8.318 -14.948 8.359 1.00 0.90 H new ATOM 0 HG2 GLU B 40 9.853 -13.779 10.674 1.00 1.30 H new ATOM 0 HG3 GLU B 40 8.210 -14.325 10.945 1.00 1.30 H new ATOM 2274 N LEU B 41 8.815 -12.053 6.437 1.00 0.56 N ATOM 2275 CA LEU B 41 8.265 -11.725 5.126 1.00 0.58 C ATOM 2276 C LEU B 41 9.421 -11.577 4.143 1.00 0.59 C ATOM 2277 O LEU B 41 9.412 -12.156 3.052 1.00 0.67 O ATOM 2278 CB LEU B 41 7.399 -10.453 5.222 1.00 0.69 C ATOM 2279 CG LEU B 41 6.607 -10.119 3.938 1.00 0.79 C ATOM 2280 CD1 LEU B 41 5.484 -9.120 4.241 1.00 1.73 C ATOM 2281 CD2 LEU B 41 7.471 -9.493 2.837 1.00 2.15 C ATOM 0 H LEU B 41 8.651 -11.344 7.152 1.00 0.56 H new ATOM 0 HA LEU B 41 7.611 -12.520 4.766 1.00 0.58 H new ATOM 0 HB2 LEU B 41 6.697 -10.568 6.047 1.00 0.69 H new ATOM 0 HB3 LEU B 41 8.043 -9.608 5.467 1.00 0.69 H new ATOM 0 HG LEU B 41 6.218 -11.074 3.586 1.00 0.79 H new ATOM 0 HD11 LEU B 41 4.938 -8.897 3.324 1.00 1.73 H new ATOM 0 HD12 LEU B 41 4.802 -9.551 4.974 1.00 1.73 H new ATOM 0 HD13 LEU B 41 5.913 -8.201 4.640 1.00 1.73 H new ATOM 0 HD21 LEU B 41 6.853 -9.284 1.964 1.00 2.15 H new ATOM 0 HD22 LEU B 41 7.909 -8.564 3.202 1.00 2.15 H new ATOM 0 HD23 LEU B 41 8.266 -10.185 2.561 1.00 2.15 H new ATOM 2293 N VAL B 42 10.430 -10.801 4.546 1.00 0.58 N ATOM 2294 CA VAL B 42 11.525 -10.456 3.657 1.00 0.66 C ATOM 2295 C VAL B 42 12.342 -11.702 3.332 1.00 0.71 C ATOM 2296 O VAL B 42 12.693 -11.936 2.179 1.00 0.80 O ATOM 2297 CB VAL B 42 12.358 -9.284 4.196 1.00 0.67 C ATOM 2298 CG1 VAL B 42 11.585 -7.963 4.042 1.00 0.65 C ATOM 2299 CG2 VAL B 42 12.847 -9.421 5.624 1.00 0.65 C ATOM 0 H VAL B 42 10.505 -10.404 5.482 1.00 0.58 H new ATOM 0 HA VAL B 42 11.118 -10.090 2.715 1.00 0.66 H new ATOM 0 HB VAL B 42 13.259 -9.290 3.583 1.00 0.67 H new ATOM 0 HG11 VAL B 42 12.188 -7.141 4.428 1.00 0.65 H new ATOM 0 HG12 VAL B 42 11.368 -7.789 2.988 1.00 0.65 H new ATOM 0 HG13 VAL B 42 10.651 -8.021 4.600 1.00 0.65 H new ATOM 0 HG21 VAL B 42 13.423 -8.537 5.898 1.00 0.65 H new ATOM 0 HG22 VAL B 42 11.992 -9.519 6.293 1.00 0.65 H new ATOM 0 HG23 VAL B 42 13.478 -10.306 5.709 1.00 0.65 H new ATOM 2309 N THR B 43 12.597 -12.519 4.351 1.00 0.69 N ATOM 2310 CA THR B 43 13.280 -13.792 4.217 1.00 0.79 C ATOM 2311 C THR B 43 12.493 -14.740 3.304 1.00 0.79 C ATOM 2312 O THR B 43 13.048 -15.308 2.366 1.00 0.90 O ATOM 2313 CB THR B 43 13.448 -14.363 5.631 1.00 0.82 C ATOM 2314 OG1 THR B 43 14.257 -13.484 6.386 1.00 0.87 O ATOM 2315 CG2 THR B 43 14.103 -15.746 5.646 1.00 0.97 C ATOM 0 H THR B 43 12.327 -12.305 5.311 1.00 0.69 H new ATOM 0 HA THR B 43 14.257 -13.666 3.749 1.00 0.79 H new ATOM 0 HB THR B 43 12.449 -14.464 6.055 1.00 0.82 H new ATOM 0 HG1 THR B 43 13.694 -12.801 6.807 1.00 0.87 H new ATOM 0 HG21 THR B 43 14.194 -16.095 6.675 1.00 0.97 H new ATOM 0 HG22 THR B 43 13.489 -16.445 5.079 1.00 0.97 H new ATOM 0 HG23 THR B 43 15.094 -15.684 5.195 1.00 0.97 H new ATOM 2323 N GLN B 44 11.211 -14.947 3.612 1.00 0.71 N ATOM 2324 CA GLN B 44 10.395 -16.002 3.033 1.00 0.75 C ATOM 2325 C GLN B 44 9.963 -15.631 1.613 1.00 0.85 C ATOM 2326 O GLN B 44 10.265 -16.351 0.665 1.00 0.98 O ATOM 2327 CB GLN B 44 9.191 -16.224 3.963 1.00 0.73 C ATOM 2328 CG GLN B 44 8.311 -17.430 3.607 1.00 0.89 C ATOM 2329 CD GLN B 44 6.982 -17.412 4.369 1.00 1.16 C ATOM 2330 OE1 GLN B 44 5.991 -17.980 3.918 1.00 1.85 O ATOM 2331 NE2 GLN B 44 6.939 -16.767 5.534 1.00 1.42 N ATOM 0 H GLN B 44 10.706 -14.371 4.285 1.00 0.71 H new ATOM 0 HA GLN B 44 10.962 -16.929 2.949 1.00 0.75 H new ATOM 0 HB2 GLN B 44 9.556 -16.348 4.982 1.00 0.73 H new ATOM 0 HB3 GLN B 44 8.573 -15.326 3.953 1.00 0.73 H new ATOM 0 HG2 GLN B 44 8.115 -17.432 2.535 1.00 0.89 H new ATOM 0 HG3 GLN B 44 8.848 -18.351 3.835 1.00 0.89 H new ATOM 0 HE21 GLN B 44 7.774 -16.302 5.890 1.00 1.42 H new ATOM 0 HE22 GLN B 44 6.071 -16.738 6.069 1.00 1.42 H new ATOM 2340 N GLN B 45 9.218 -14.533 1.471 1.00 0.88 N ATOM 2341 CA GLN B 45 8.621 -14.146 0.201 1.00 1.11 C ATOM 2342 C GLN B 45 9.636 -13.404 -0.665 1.00 1.34 C ATOM 2343 O GLN B 45 9.766 -13.678 -1.853 1.00 1.73 O ATOM 2344 CB GLN B 45 7.355 -13.291 0.430 1.00 1.22 C ATOM 2345 CG GLN B 45 6.048 -14.056 0.157 1.00 1.69 C ATOM 2346 CD GLN B 45 5.802 -15.221 1.111 1.00 1.81 C ATOM 2347 OE1 GLN B 45 6.537 -15.419 2.072 1.00 2.85 O ATOM 2348 NE2 GLN B 45 4.753 -15.999 0.877 1.00 2.15 N ATOM 0 H GLN B 45 9.014 -13.890 2.236 1.00 0.88 H new ATOM 0 HA GLN B 45 8.322 -15.050 -0.329 1.00 1.11 H new ATOM 0 HB2 GLN B 45 7.349 -12.931 1.459 1.00 1.22 H new ATOM 0 HB3 GLN B 45 7.396 -12.413 -0.215 1.00 1.22 H new ATOM 0 HG2 GLN B 45 5.211 -13.361 0.225 1.00 1.69 H new ATOM 0 HG3 GLN B 45 6.067 -14.434 -0.865 1.00 1.69 H new ATOM 0 HE21 GLN B 45 4.153 -15.818 0.072 1.00 2.15 H new ATOM 0 HE22 GLN B 45 4.546 -16.778 1.502 1.00 2.15 H new ATOM 2357 N LEU B 46 10.238 -12.361 -0.092 1.00 1.18 N ATOM 2358 CA LEU B 46 10.564 -11.150 -0.839 1.00 1.20 C ATOM 2359 C LEU B 46 11.852 -11.051 -1.681 1.00 1.88 C ATOM 2360 O LEU B 46 11.932 -10.086 -2.437 1.00 2.29 O ATOM 2361 CB LEU B 46 10.435 -9.944 0.102 1.00 1.15 C ATOM 2362 CG LEU B 46 9.883 -8.672 -0.560 1.00 0.87 C ATOM 2363 CD1 LEU B 46 8.419 -8.821 -0.993 1.00 1.46 C ATOM 2364 CD2 LEU B 46 9.985 -7.519 0.438 1.00 1.67 C ATOM 0 H LEU B 46 10.510 -12.333 0.891 1.00 1.18 H new ATOM 0 HA LEU B 46 9.830 -11.178 -1.644 1.00 1.20 H new ATOM 0 HB2 LEU B 46 9.785 -10.216 0.933 1.00 1.15 H new ATOM 0 HB3 LEU B 46 11.415 -9.722 0.523 1.00 1.15 H new ATOM 0 HG LEU B 46 10.474 -8.481 -1.456 1.00 0.87 H new ATOM 0 HD11 LEU B 46 8.080 -7.894 -1.454 1.00 1.46 H new ATOM 0 HD12 LEU B 46 8.333 -9.636 -1.711 1.00 1.46 H new ATOM 0 HD13 LEU B 46 7.802 -9.039 -0.121 1.00 1.46 H new ATOM 0 HD21 LEU B 46 9.597 -6.608 -0.018 1.00 1.67 H new ATOM 0 HD22 LEU B 46 9.403 -7.756 1.329 1.00 1.67 H new ATOM 0 HD23 LEU B 46 11.028 -7.369 0.716 1.00 1.67 H new ATOM 2376 N PRO B 47 12.909 -11.870 -1.509 1.00 2.25 N ATOM 2377 CA PRO B 47 14.286 -11.413 -1.685 1.00 2.31 C ATOM 2378 C PRO B 47 14.567 -10.580 -2.944 1.00 1.85 C ATOM 2379 O PRO B 47 15.080 -9.465 -2.832 1.00 2.23 O ATOM 2380 CB PRO B 47 15.187 -12.649 -1.562 1.00 2.84 C ATOM 2381 CG PRO B 47 14.222 -13.833 -1.614 1.00 2.96 C ATOM 2382 CD PRO B 47 12.916 -13.256 -1.075 1.00 3.08 C ATOM 0 HA PRO B 47 14.503 -10.686 -0.903 1.00 2.31 H new ATOM 0 HB2 PRO B 47 15.913 -12.693 -2.374 1.00 2.84 H new ATOM 0 HB3 PRO B 47 15.751 -12.638 -0.630 1.00 2.84 H new ATOM 0 HG2 PRO B 47 14.105 -14.210 -2.630 1.00 2.96 H new ATOM 0 HG3 PRO B 47 14.575 -14.665 -1.004 1.00 2.96 H new ATOM 0 HD2 PRO B 47 12.054 -13.796 -1.467 1.00 3.08 H new ATOM 0 HD3 PRO B 47 12.871 -13.329 0.012 1.00 3.08 H new ATOM 2390 N HIS B 48 14.242 -11.083 -4.139 1.00 1.46 N ATOM 2391 CA HIS B 48 14.559 -10.391 -5.387 1.00 1.22 C ATOM 2392 C HIS B 48 13.556 -9.260 -5.693 1.00 1.06 C ATOM 2393 O HIS B 48 12.976 -9.202 -6.775 1.00 2.44 O ATOM 2394 CB HIS B 48 14.700 -11.415 -6.526 1.00 1.32 C ATOM 2395 CG HIS B 48 15.362 -10.848 -7.760 1.00 1.38 C ATOM 2396 ND1 HIS B 48 14.813 -9.906 -8.598 1.00 2.11 N ATOM 2397 CD2 HIS B 48 16.633 -11.101 -8.201 1.00 2.10 C ATOM 2398 CE1 HIS B 48 15.735 -9.599 -9.526 1.00 2.11 C ATOM 2399 NE2 HIS B 48 16.862 -10.301 -9.324 1.00 1.92 N ATOM 0 H HIS B 48 13.757 -11.971 -4.266 1.00 1.46 H new ATOM 0 HA HIS B 48 15.520 -9.888 -5.281 1.00 1.22 H new ATOM 0 HB2 HIS B 48 15.280 -12.267 -6.170 1.00 1.32 H new ATOM 0 HB3 HIS B 48 13.712 -11.791 -6.792 1.00 1.32 H new ATOM 0 HD1 HIS B 48 13.875 -9.511 -8.528 1.00 2.11 H new ATOM 0 HD2 HIS B 48 17.334 -11.795 -7.760 1.00 2.10 H new ATOM 0 HE1 HIS B 48 15.590 -8.886 -10.324 1.00 2.11 H new ATOM 2407 N LEU B 49 13.396 -8.325 -4.757 1.00 1.27 N ATOM 2408 CA LEU B 49 12.663 -7.091 -4.910 1.00 1.05 C ATOM 2409 C LEU B 49 13.361 -6.042 -4.042 1.00 1.08 C ATOM 2410 O LEU B 49 14.279 -5.368 -4.508 1.00 1.30 O ATOM 2411 CB LEU B 49 11.195 -7.335 -4.538 1.00 0.89 C ATOM 2412 CG LEU B 49 10.362 -6.069 -4.750 1.00 0.84 C ATOM 2413 CD1 LEU B 49 10.213 -5.822 -6.244 1.00 0.90 C ATOM 2414 CD2 LEU B 49 8.978 -6.230 -4.137 1.00 0.86 C ATOM 0 H LEU B 49 13.800 -8.424 -3.826 1.00 1.27 H new ATOM 0 HA LEU B 49 12.655 -6.723 -5.936 1.00 1.05 H new ATOM 0 HB2 LEU B 49 10.792 -8.146 -5.144 1.00 0.89 H new ATOM 0 HB3 LEU B 49 11.127 -7.650 -3.497 1.00 0.89 H new ATOM 0 HG LEU B 49 10.866 -5.230 -4.270 1.00 0.84 H new ATOM 0 HD11 LEU B 49 9.621 -4.922 -6.407 1.00 0.90 H new ATOM 0 HD12 LEU B 49 11.199 -5.694 -6.692 1.00 0.90 H new ATOM 0 HD13 LEU B 49 9.713 -6.674 -6.705 1.00 0.90 H new ATOM 0 HD21 LEU B 49 8.401 -5.320 -4.298 1.00 0.86 H new ATOM 0 HD22 LEU B 49 8.468 -7.071 -4.606 1.00 0.86 H new ATOM 0 HD23 LEU B 49 9.073 -6.415 -3.067 1.00 0.86 H new ATOM 2426 N LEU B 50 13.000 -5.947 -2.756 1.00 1.08 N ATOM 2427 CA LEU B 50 13.806 -5.221 -1.788 1.00 1.19 C ATOM 2428 C LEU B 50 15.034 -6.076 -1.488 1.00 1.24 C ATOM 2429 O LEU B 50 15.102 -6.750 -0.462 1.00 1.87 O ATOM 2430 CB LEU B 50 12.999 -4.895 -0.521 1.00 1.28 C ATOM 2431 CG LEU B 50 12.007 -3.737 -0.723 1.00 1.11 C ATOM 2432 CD1 LEU B 50 11.057 -3.654 0.477 1.00 1.49 C ATOM 2433 CD2 LEU B 50 12.721 -2.383 -0.847 1.00 1.28 C ATOM 0 H LEU B 50 12.154 -6.366 -2.370 1.00 1.08 H new ATOM 0 HA LEU B 50 14.118 -4.258 -2.191 1.00 1.19 H new ATOM 0 HB2 LEU B 50 12.452 -5.784 -0.206 1.00 1.28 H new ATOM 0 HB3 LEU B 50 13.686 -4.641 0.286 1.00 1.28 H new ATOM 0 HG LEU B 50 11.464 -3.940 -1.646 1.00 1.11 H new ATOM 0 HD11 LEU B 50 10.356 -2.832 0.330 1.00 1.49 H new ATOM 0 HD12 LEU B 50 10.505 -4.590 0.570 1.00 1.49 H new ATOM 0 HD13 LEU B 50 11.633 -3.481 1.386 1.00 1.49 H new ATOM 0 HD21 LEU B 50 11.983 -1.594 -0.988 1.00 1.28 H new ATOM 0 HD22 LEU B 50 13.291 -2.188 0.061 1.00 1.28 H new ATOM 0 HD23 LEU B 50 13.397 -2.405 -1.702 1.00 1.28 H new ATOM 2445 N LYS B 51 15.988 -6.051 -2.423 1.00 1.14 N ATOM 2446 CA LYS B 51 17.276 -6.710 -2.270 1.00 1.25 C ATOM 2447 C LYS B 51 17.899 -6.312 -0.934 1.00 1.19 C ATOM 2448 O LYS B 51 17.685 -5.192 -0.468 1.00 1.89 O ATOM 2449 CB LYS B 51 18.209 -6.356 -3.444 1.00 1.62 C ATOM 2450 CG LYS B 51 18.747 -4.912 -3.389 1.00 1.98 C ATOM 2451 CD LYS B 51 20.086 -4.793 -2.628 1.00 3.06 C ATOM 2452 CE LYS B 51 20.223 -3.435 -1.907 1.00 4.21 C ATOM 2453 NZ LYS B 51 21.347 -3.384 -0.935 1.00 5.59 N ATOM 0 H LYS B 51 15.881 -5.566 -3.314 1.00 1.14 H new ATOM 0 HA LYS B 51 17.129 -7.790 -2.279 1.00 1.25 H new ATOM 0 HB2 LYS B 51 19.051 -7.049 -3.450 1.00 1.62 H new ATOM 0 HB3 LYS B 51 17.671 -6.499 -4.381 1.00 1.62 H new ATOM 0 HG2 LYS B 51 18.879 -4.541 -4.405 1.00 1.98 H new ATOM 0 HG3 LYS B 51 18.006 -4.272 -2.910 1.00 1.98 H new ATOM 0 HD2 LYS B 51 20.161 -5.600 -1.899 1.00 3.06 H new ATOM 0 HD3 LYS B 51 20.913 -4.917 -3.327 1.00 3.06 H new ATOM 0 HE2 LYS B 51 20.362 -2.651 -2.651 1.00 4.21 H new ATOM 0 HE3 LYS B 51 19.292 -3.216 -1.384 1.00 4.21 H new ATOM 0 HZ1 LYS B 51 20.970 -3.250 0.025 1.00 5.59 H new ATOM 0 HZ2 LYS B 51 21.882 -4.275 -0.975 1.00 5.59 H new ATOM 0 HZ3 LYS B 51 21.977 -2.591 -1.174 1.00 5.59 H new ATOM 2467 N ASP B 52 18.724 -7.201 -0.375 1.00 1.12 N ATOM 2468 CA ASP B 52 19.402 -7.000 0.893 1.00 1.22 C ATOM 2469 C ASP B 52 18.367 -6.970 2.005 1.00 1.05 C ATOM 2470 O ASP B 52 18.067 -5.954 2.630 1.00 1.40 O ATOM 2471 CB ASP B 52 20.328 -5.788 0.878 1.00 1.72 C ATOM 2472 CG ASP B 52 21.056 -5.573 2.189 1.00 2.63 C ATOM 2473 OD1 ASP B 52 20.913 -6.412 3.112 1.00 3.59 O ATOM 2474 OD2 ASP B 52 21.764 -4.547 2.200 1.00 3.24 O ATOM 0 H ASP B 52 18.939 -8.099 -0.808 1.00 1.12 H new ATOM 0 HA ASP B 52 20.073 -7.838 1.081 1.00 1.22 H new ATOM 0 HB2 ASP B 52 21.060 -5.909 0.080 1.00 1.72 H new ATOM 0 HB3 ASP B 52 19.745 -4.897 0.644 1.00 1.72 H new ATOM 2479 N VAL B 53 17.877 -8.174 2.265 1.00 0.87 N ATOM 2480 CA VAL B 53 17.147 -8.505 3.467 1.00 0.97 C ATOM 2481 C VAL B 53 18.119 -8.710 4.642 1.00 1.33 C ATOM 2482 O VAL B 53 17.688 -9.118 5.719 1.00 1.55 O ATOM 2483 CB VAL B 53 16.268 -9.734 3.175 1.00 0.99 C ATOM 2484 CG1 VAL B 53 15.391 -9.482 1.939 1.00 1.36 C ATOM 2485 CG2 VAL B 53 17.077 -11.021 2.959 1.00 1.43 C ATOM 0 H VAL B 53 17.982 -8.962 1.626 1.00 0.87 H new ATOM 0 HA VAL B 53 16.490 -7.689 3.767 1.00 0.97 H new ATOM 0 HB VAL B 53 15.650 -9.880 4.061 1.00 0.99 H new ATOM 0 HG11 VAL B 53 14.775 -10.360 1.745 1.00 1.36 H new ATOM 0 HG12 VAL B 53 14.748 -8.620 2.119 1.00 1.36 H new ATOM 0 HG13 VAL B 53 16.027 -9.287 1.075 1.00 1.36 H new ATOM 0 HG21 VAL B 53 16.397 -11.849 2.758 1.00 1.43 H new ATOM 0 HG22 VAL B 53 17.750 -10.890 2.112 1.00 1.43 H new ATOM 0 HG23 VAL B 53 17.659 -11.239 3.854 1.00 1.43 H new ATOM 2495 N GLY B 54 19.420 -8.435 4.459 1.00 1.71 N ATOM 2496 CA GLY B 54 20.387 -8.451 5.536 1.00 2.29 C ATOM 2497 C GLY B 54 20.139 -7.202 6.363 1.00 2.01 C ATOM 2498 O GLY B 54 19.762 -7.296 7.530 1.00 2.35 O ATOM 0 H GLY B 54 19.819 -8.196 3.551 1.00 1.71 H new ATOM 0 HA2 GLY B 54 20.273 -9.348 6.145 1.00 2.29 H new ATOM 0 HA3 GLY B 54 21.404 -8.460 5.143 1.00 2.29 H new ATOM 2502 N SER B 55 20.239 -6.029 5.732 1.00 1.55 N ATOM 2503 CA SER B 55 19.871 -4.765 6.363 1.00 1.41 C ATOM 2504 C SER B 55 18.345 -4.599 6.382 1.00 1.11 C ATOM 2505 O SER B 55 17.803 -3.543 6.043 1.00 1.22 O ATOM 2506 CB SER B 55 20.592 -3.588 5.685 1.00 1.61 C ATOM 2507 OG SER B 55 20.728 -2.529 6.617 1.00 2.62 O ATOM 0 H SER B 55 20.576 -5.932 4.774 1.00 1.55 H new ATOM 0 HA SER B 55 20.201 -4.774 7.402 1.00 1.41 H new ATOM 0 HB2 SER B 55 21.573 -3.903 5.328 1.00 1.61 H new ATOM 0 HB3 SER B 55 20.028 -3.253 4.814 1.00 1.61 H new ATOM 0 HG SER B 55 20.795 -1.677 6.137 1.00 2.62 H new ATOM 2513 N LEU B 56 17.626 -5.626 6.831 1.00 0.96 N ATOM 2514 CA LEU B 56 16.223 -5.527 7.146 1.00 0.80 C ATOM 2515 C LEU B 56 16.075 -4.524 8.278 1.00 0.77 C ATOM 2516 O LEU B 56 15.223 -3.649 8.229 1.00 0.75 O ATOM 2517 CB LEU B 56 15.735 -6.923 7.553 1.00 0.79 C ATOM 2518 CG LEU B 56 14.282 -7.004 8.041 1.00 0.73 C ATOM 2519 CD1 LEU B 56 14.045 -6.587 9.496 1.00 0.87 C ATOM 2520 CD2 LEU B 56 13.367 -6.216 7.119 1.00 0.70 C ATOM 0 H LEU B 56 18.016 -6.556 6.984 1.00 0.96 H new ATOM 0 HA LEU B 56 15.627 -5.186 6.300 1.00 0.80 H new ATOM 0 HB2 LEU B 56 15.850 -7.591 6.699 1.00 0.79 H new ATOM 0 HB3 LEU B 56 16.386 -7.299 8.342 1.00 0.79 H new ATOM 0 HG LEU B 56 14.043 -8.067 8.010 1.00 0.73 H new ATOM 0 HD11 LEU B 56 12.986 -6.683 9.734 1.00 0.87 H new ATOM 0 HD12 LEU B 56 14.625 -7.230 10.158 1.00 0.87 H new ATOM 0 HD13 LEU B 56 14.355 -5.551 9.633 1.00 0.87 H new ATOM 0 HD21 LEU B 56 12.341 -6.284 7.480 1.00 0.70 H new ATOM 0 HD22 LEU B 56 13.678 -5.171 7.104 1.00 0.70 H new ATOM 0 HD23 LEU B 56 13.425 -6.626 6.111 1.00 0.70 H new ATOM 2532 N ASP B 57 16.894 -4.660 9.315 1.00 0.91 N ATOM 2533 CA ASP B 57 16.701 -3.992 10.593 1.00 1.15 C ATOM 2534 C ASP B 57 16.782 -2.462 10.440 1.00 1.06 C ATOM 2535 O ASP B 57 16.091 -1.717 11.136 1.00 1.08 O ATOM 2536 CB ASP B 57 17.676 -4.607 11.613 1.00 1.71 C ATOM 2537 CG ASP B 57 17.670 -6.135 11.507 1.00 3.17 C ATOM 2538 OD1 ASP B 57 18.246 -6.636 10.512 1.00 3.58 O ATOM 2539 OD2 ASP B 57 16.976 -6.828 12.282 1.00 4.59 O ATOM 0 H ASP B 57 17.726 -5.249 9.288 1.00 0.91 H new ATOM 0 HA ASP B 57 15.696 -4.158 10.980 1.00 1.15 H new ATOM 0 HB2 ASP B 57 18.683 -4.228 11.437 1.00 1.71 H new ATOM 0 HB3 ASP B 57 17.394 -4.305 12.622 1.00 1.71 H new ATOM 2544 N GLU B 58 17.582 -1.993 9.475 1.00 1.08 N ATOM 2545 CA GLU B 58 17.532 -0.627 8.961 1.00 1.10 C ATOM 2546 C GLU B 58 16.104 -0.278 8.531 1.00 0.95 C ATOM 2547 O GLU B 58 15.495 0.669 9.035 1.00 1.06 O ATOM 2548 CB GLU B 58 18.505 -0.519 7.775 1.00 1.23 C ATOM 2549 CG GLU B 58 18.338 0.752 6.922 1.00 1.57 C ATOM 2550 CD GLU B 58 19.267 0.761 5.711 1.00 1.66 C ATOM 2551 OE1 GLU B 58 20.135 -0.138 5.639 1.00 2.41 O ATOM 2552 OE2 GLU B 58 19.062 1.658 4.865 1.00 2.06 O ATOM 0 H GLU B 58 18.294 -2.567 9.024 1.00 1.08 H new ATOM 0 HA GLU B 58 17.826 0.080 9.737 1.00 1.10 H new ATOM 0 HB2 GLU B 58 19.526 -0.554 8.155 1.00 1.23 H new ATOM 0 HB3 GLU B 58 18.374 -1.391 7.134 1.00 1.23 H new ATOM 0 HG2 GLU B 58 17.304 0.828 6.585 1.00 1.57 H new ATOM 0 HG3 GLU B 58 18.538 1.629 7.537 1.00 1.57 H new ATOM 2559 N LYS B 59 15.570 -1.042 7.574 1.00 0.74 N ATOM 2560 CA LYS B 59 14.231 -0.815 7.064 1.00 0.65 C ATOM 2561 C LYS B 59 13.215 -0.906 8.204 1.00 0.60 C ATOM 2562 O LYS B 59 12.305 -0.087 8.241 1.00 0.69 O ATOM 2563 CB LYS B 59 13.884 -1.752 5.896 1.00 0.69 C ATOM 2564 CG LYS B 59 14.717 -1.488 4.629 1.00 1.28 C ATOM 2565 CD LYS B 59 14.002 -0.632 3.560 1.00 1.77 C ATOM 2566 CE LYS B 59 13.844 0.847 3.954 1.00 3.02 C ATOM 2567 NZ LYS B 59 13.329 1.692 2.847 1.00 4.62 N ATOM 0 H LYS B 59 16.055 -1.827 7.139 1.00 0.74 H new ATOM 0 HA LYS B 59 14.191 0.194 6.652 1.00 0.65 H new ATOM 0 HB2 LYS B 59 14.035 -2.784 6.212 1.00 0.69 H new ATOM 0 HB3 LYS B 59 12.827 -1.643 5.655 1.00 0.69 H new ATOM 0 HG2 LYS B 59 15.643 -0.990 4.916 1.00 1.28 H new ATOM 0 HG3 LYS B 59 14.994 -2.444 4.185 1.00 1.28 H new ATOM 0 HD2 LYS B 59 14.561 -0.692 2.626 1.00 1.77 H new ATOM 0 HD3 LYS B 59 13.016 -1.055 3.369 1.00 1.77 H new ATOM 0 HE2 LYS B 59 13.166 0.920 4.805 1.00 3.02 H new ATOM 0 HE3 LYS B 59 14.809 1.235 4.281 1.00 3.02 H new ATOM 0 HZ1 LYS B 59 13.657 2.670 2.975 1.00 4.62 H new ATOM 0 HZ2 LYS B 59 13.679 1.326 1.939 1.00 4.62 H new ATOM 0 HZ3 LYS B 59 12.289 1.673 2.850 1.00 4.62 H new ATOM 2581 N MET B 60 13.377 -1.844 9.147 1.00 0.62 N ATOM 2582 CA MET B 60 12.530 -1.941 10.330 1.00 0.70 C ATOM 2583 C MET B 60 12.490 -0.594 11.028 1.00 0.74 C ATOM 2584 O MET B 60 11.409 -0.047 11.179 1.00 0.75 O ATOM 2585 CB MET B 60 12.964 -3.086 11.255 1.00 0.89 C ATOM 2586 CG MET B 60 12.092 -3.212 12.515 1.00 0.99 C ATOM 2587 SD MET B 60 12.517 -2.081 13.868 1.00 1.51 S ATOM 2588 CE MET B 60 11.250 -2.511 15.079 1.00 1.84 C ATOM 0 H MET B 60 14.105 -2.558 9.105 1.00 0.62 H new ATOM 0 HA MET B 60 11.514 -2.193 10.025 1.00 0.70 H new ATOM 0 HB2 MET B 60 12.929 -4.024 10.702 1.00 0.89 H new ATOM 0 HB3 MET B 60 14.001 -2.930 11.553 1.00 0.89 H new ATOM 0 HG2 MET B 60 11.052 -3.043 12.235 1.00 0.99 H new ATOM 0 HG3 MET B 60 12.161 -4.235 12.884 1.00 0.99 H new ATOM 0 HE1 MET B 60 11.377 -1.899 15.972 1.00 1.84 H new ATOM 0 HE2 MET B 60 10.263 -2.330 14.653 1.00 1.84 H new ATOM 0 HE3 MET B 60 11.343 -3.564 15.345 1.00 1.84 H new ATOM 2598 N LYS B 61 13.634 -0.018 11.397 1.00 0.85 N ATOM 2599 CA LYS B 61 13.634 1.307 12.011 1.00 0.96 C ATOM 2600 C LYS B 61 12.981 2.361 11.103 1.00 0.91 C ATOM 2601 O LYS B 61 12.201 3.184 11.576 1.00 1.00 O ATOM 2602 CB LYS B 61 15.055 1.673 12.455 1.00 1.18 C ATOM 2603 CG LYS B 61 15.291 1.044 13.834 1.00 2.10 C ATOM 2604 CD LYS B 61 16.765 0.995 14.249 1.00 2.14 C ATOM 2605 CE LYS B 61 17.461 -0.193 13.568 1.00 2.41 C ATOM 2606 NZ LYS B 61 18.849 -0.377 14.033 1.00 3.29 N ATOM 0 H LYS B 61 14.556 -0.439 11.284 1.00 0.85 H new ATOM 0 HA LYS B 61 13.012 1.286 12.906 1.00 0.96 H new ATOM 0 HB2 LYS B 61 15.787 1.304 11.736 1.00 1.18 H new ATOM 0 HB3 LYS B 61 15.173 2.755 12.503 1.00 1.18 H new ATOM 0 HG2 LYS B 61 14.732 1.608 14.580 1.00 2.10 H new ATOM 0 HG3 LYS B 61 14.890 0.031 13.834 1.00 2.10 H new ATOM 0 HD2 LYS B 61 17.261 1.925 13.972 1.00 2.14 H new ATOM 0 HD3 LYS B 61 16.844 0.902 15.332 1.00 2.14 H new ATOM 0 HE2 LYS B 61 16.893 -1.103 13.762 1.00 2.41 H new ATOM 0 HE3 LYS B 61 17.460 -0.041 12.489 1.00 2.41 H new ATOM 0 HZ1 LYS B 61 19.274 -1.190 13.544 1.00 3.29 H new ATOM 0 HZ2 LYS B 61 19.401 0.479 13.825 1.00 3.29 H new ATOM 0 HZ3 LYS B 61 18.852 -0.550 15.059 1.00 3.29 H new ATOM 2620 N SER B 62 13.247 2.316 9.794 1.00 0.85 N ATOM 2621 CA SER B 62 12.572 3.188 8.831 1.00 0.91 C ATOM 2622 C SER B 62 11.048 2.962 8.799 1.00 0.89 C ATOM 2623 O SER B 62 10.302 3.843 8.356 1.00 1.07 O ATOM 2624 CB SER B 62 13.186 2.991 7.438 1.00 0.95 C ATOM 2625 OG SER B 62 12.711 3.959 6.520 1.00 1.75 O ATOM 0 H SER B 62 13.928 1.682 9.377 1.00 0.85 H new ATOM 0 HA SER B 62 12.723 4.219 9.151 1.00 0.91 H new ATOM 0 HB2 SER B 62 14.272 3.054 7.506 1.00 0.95 H new ATOM 0 HB3 SER B 62 12.947 1.993 7.072 1.00 0.95 H new ATOM 0 HG SER B 62 13.122 3.807 5.643 1.00 1.75 H new ATOM 2631 N LEU B 63 10.583 1.772 9.177 1.00 0.82 N ATOM 2632 CA LEU B 63 9.182 1.392 9.274 1.00 0.89 C ATOM 2633 C LEU B 63 8.582 1.874 10.601 1.00 0.87 C ATOM 2634 O LEU B 63 7.553 2.545 10.616 1.00 0.94 O ATOM 2635 CB LEU B 63 9.062 -0.136 9.068 1.00 0.90 C ATOM 2636 CG LEU B 63 8.102 -0.529 7.935 1.00 1.65 C ATOM 2637 CD1 LEU B 63 8.567 -0.007 6.583 1.00 2.17 C ATOM 2638 CD2 LEU B 63 8.037 -2.057 7.804 1.00 2.44 C ATOM 0 H LEU B 63 11.210 1.010 9.437 1.00 0.82 H new ATOM 0 HA LEU B 63 8.600 1.878 8.491 1.00 0.89 H new ATOM 0 HB2 LEU B 63 10.050 -0.544 8.854 1.00 0.90 H new ATOM 0 HB3 LEU B 63 8.722 -0.594 9.997 1.00 0.90 H new ATOM 0 HG LEU B 63 7.135 -0.097 8.192 1.00 1.65 H new ATOM 0 HD11 LEU B 63 7.857 -0.309 5.813 1.00 2.17 H new ATOM 0 HD12 LEU B 63 8.627 1.081 6.614 1.00 2.17 H new ATOM 0 HD13 LEU B 63 9.550 -0.418 6.353 1.00 2.17 H new ATOM 0 HD21 LEU B 63 7.354 -2.324 6.998 1.00 2.44 H new ATOM 0 HD22 LEU B 63 9.031 -2.446 7.581 1.00 2.44 H new ATOM 0 HD23 LEU B 63 7.680 -2.488 8.740 1.00 2.44 H new ATOM 2650 N ASP B 64 9.247 1.539 11.708 1.00 0.81 N ATOM 2651 CA ASP B 64 8.787 1.569 13.091 1.00 0.88 C ATOM 2652 C ASP B 64 8.405 2.955 13.622 1.00 0.93 C ATOM 2653 O ASP B 64 7.849 3.039 14.722 1.00 1.01 O ATOM 2654 CB ASP B 64 9.807 0.873 14.013 1.00 0.89 C ATOM 2655 CG ASP B 64 9.218 0.491 15.366 1.00 1.12 C ATOM 2656 OD1 ASP B 64 7.987 0.285 15.429 1.00 1.19 O ATOM 2657 OD2 ASP B 64 9.962 0.440 16.363 1.00 1.67 O ATOM 0 H ASP B 64 10.211 1.210 11.650 1.00 0.81 H new ATOM 0 HA ASP B 64 7.850 1.013 13.096 1.00 0.88 H new ATOM 0 HB2 ASP B 64 10.183 -0.023 13.520 1.00 0.89 H new ATOM 0 HB3 ASP B 64 10.660 1.534 14.167 1.00 0.89 H new ATOM 2662 N VAL B 65 8.786 4.015 12.897 1.00 0.93 N ATOM 2663 CA VAL B 65 9.469 5.251 13.289 1.00 0.99 C ATOM 2664 C VAL B 65 9.139 5.867 14.655 1.00 1.08 C ATOM 2665 O VAL B 65 9.999 6.527 15.233 1.00 1.22 O ATOM 2666 CB VAL B 65 9.266 6.306 12.180 1.00 1.02 C ATOM 2667 CG1 VAL B 65 9.813 5.829 10.827 1.00 1.29 C ATOM 2668 CG2 VAL B 65 7.791 6.694 12.003 1.00 1.48 C ATOM 0 H VAL B 65 8.597 4.024 11.895 1.00 0.93 H new ATOM 0 HA VAL B 65 10.507 4.943 13.411 1.00 0.99 H new ATOM 0 HB VAL B 65 9.825 7.182 12.509 1.00 1.02 H new ATOM 0 HG11 VAL B 65 9.649 6.602 10.076 1.00 1.29 H new ATOM 0 HG12 VAL B 65 10.881 5.630 10.916 1.00 1.29 H new ATOM 0 HG13 VAL B 65 9.297 4.917 10.527 1.00 1.29 H new ATOM 0 HG21 VAL B 65 7.703 7.438 11.212 1.00 1.48 H new ATOM 0 HG22 VAL B 65 7.212 5.810 11.736 1.00 1.48 H new ATOM 0 HG23 VAL B 65 7.410 7.109 12.936 1.00 1.48 H new ATOM 2678 N ASN B 66 7.943 5.650 15.204 1.00 1.07 N ATOM 2679 CA ASN B 66 7.678 5.971 16.611 1.00 1.21 C ATOM 2680 C ASN B 66 8.512 5.095 17.559 1.00 1.33 C ATOM 2681 O ASN B 66 8.606 5.399 18.743 1.00 1.66 O ATOM 2682 CB ASN B 66 6.178 5.925 16.934 1.00 1.35 C ATOM 2683 CG ASN B 66 5.519 4.623 16.502 1.00 1.45 C ATOM 2684 OD1 ASN B 66 6.052 3.532 16.699 1.00 1.49 O ATOM 2685 ND2 ASN B 66 4.381 4.708 15.820 1.00 2.37 N ATOM 0 H ASN B 66 7.147 5.257 14.702 1.00 1.07 H new ATOM 0 HA ASN B 66 7.997 7.000 16.776 1.00 1.21 H new ATOM 0 HB2 ASN B 66 6.038 6.059 18.007 1.00 1.35 H new ATOM 0 HB3 ASN B 66 5.680 6.760 16.441 1.00 1.35 H new ATOM 0 HD21 ASN B 66 3.941 3.863 15.454 1.00 2.37 H new ATOM 0 HD22 ASN B 66 3.948 5.618 15.662 1.00 2.37 H new ATOM 2692 N GLN B 67 9.155 4.041 17.040 1.00 1.19 N ATOM 2693 CA GLN B 67 10.219 3.300 17.715 1.00 1.32 C ATOM 2694 C GLN B 67 9.695 2.479 18.900 1.00 1.31 C ATOM 2695 O GLN B 67 10.431 2.209 19.849 1.00 1.49 O ATOM 2696 CB GLN B 67 11.411 4.221 18.061 1.00 1.74 C ATOM 2697 CG GLN B 67 12.667 3.863 17.251 1.00 1.99 C ATOM 2698 CD GLN B 67 13.349 2.537 17.603 1.00 2.65 C ATOM 2699 OE1 GLN B 67 14.295 2.144 16.928 1.00 2.84 O ATOM 2700 NE2 GLN B 67 12.924 1.829 18.644 1.00 4.19 N ATOM 0 H GLN B 67 8.941 3.673 16.113 1.00 1.19 H new ATOM 0 HA GLN B 67 10.608 2.559 17.017 1.00 1.32 H new ATOM 0 HB2 GLN B 67 11.137 5.258 17.866 1.00 1.74 H new ATOM 0 HB3 GLN B 67 11.632 4.144 19.126 1.00 1.74 H new ATOM 0 HG2 GLN B 67 12.397 3.839 16.195 1.00 1.99 H new ATOM 0 HG3 GLN B 67 13.394 4.665 17.376 1.00 1.99 H new ATOM 0 HE21 GLN B 67 12.137 2.162 19.200 1.00 4.19 H new ATOM 0 HE22 GLN B 67 13.385 0.952 18.887 1.00 4.19 H new ATOM 2709 N ASP B 68 8.432 2.057 18.824 1.00 1.35 N ATOM 2710 CA ASP B 68 7.770 1.225 19.825 1.00 1.38 C ATOM 2711 C ASP B 68 7.899 -0.277 19.528 1.00 1.43 C ATOM 2712 O ASP B 68 7.384 -1.088 20.293 1.00 2.13 O ATOM 2713 CB ASP B 68 6.294 1.645 19.959 1.00 1.43 C ATOM 2714 CG ASP B 68 5.465 1.376 18.715 1.00 1.38 C ATOM 2715 OD1 ASP B 68 5.995 0.754 17.768 1.00 1.35 O ATOM 2716 OD2 ASP B 68 4.329 1.879 18.622 1.00 1.79 O ATOM 0 H ASP B 68 7.825 2.293 18.039 1.00 1.35 H new ATOM 0 HA ASP B 68 8.276 1.387 20.777 1.00 1.38 H new ATOM 0 HB2 ASP B 68 5.850 1.115 20.802 1.00 1.43 H new ATOM 0 HB3 ASP B 68 6.248 2.709 20.192 1.00 1.43 H new ATOM 2721 N SER B 69 8.549 -0.666 18.425 1.00 1.20 N ATOM 2722 CA SER B 69 8.681 -2.050 17.983 1.00 1.21 C ATOM 2723 C SER B 69 7.376 -2.688 17.489 1.00 1.23 C ATOM 2724 O SER B 69 7.415 -3.858 17.103 1.00 1.37 O ATOM 2725 CB SER B 69 9.376 -2.921 19.040 1.00 1.42 C ATOM 2726 OG SER B 69 9.793 -4.139 18.453 1.00 2.70 O ATOM 0 H SER B 69 9.009 -0.004 17.801 1.00 1.20 H new ATOM 0 HA SER B 69 9.323 -2.005 17.103 1.00 1.21 H new ATOM 0 HB2 SER B 69 10.235 -2.392 19.454 1.00 1.42 H new ATOM 0 HB3 SER B 69 8.695 -3.119 19.868 1.00 1.42 H new ATOM 0 HG SER B 69 9.120 -4.438 17.806 1.00 2.70 H new ATOM 2732 N GLU B 70 6.248 -1.964 17.461 1.00 1.26 N ATOM 2733 CA GLU B 70 5.021 -2.442 16.841 1.00 1.29 C ATOM 2734 C GLU B 70 4.855 -1.741 15.501 1.00 1.13 C ATOM 2735 O GLU B 70 4.859 -0.507 15.439 1.00 1.06 O ATOM 2736 CB GLU B 70 3.796 -2.141 17.711 1.00 1.54 C ATOM 2737 CG GLU B 70 3.690 -3.082 18.912 1.00 1.73 C ATOM 2738 CD GLU B 70 2.257 -3.123 19.415 1.00 2.45 C ATOM 2739 OE1 GLU B 70 1.847 -2.192 20.139 1.00 3.70 O ATOM 2740 OE2 GLU B 70 1.542 -4.089 19.056 1.00 3.01 O ATOM 0 H GLU B 70 6.169 -1.033 17.869 1.00 1.26 H new ATOM 0 HA GLU B 70 5.093 -3.523 16.717 1.00 1.29 H new ATOM 0 HB2 GLU B 70 3.848 -1.111 18.063 1.00 1.54 H new ATOM 0 HB3 GLU B 70 2.894 -2.226 17.105 1.00 1.54 H new ATOM 0 HG2 GLU B 70 4.014 -4.084 18.629 1.00 1.73 H new ATOM 0 HG3 GLU B 70 4.354 -2.745 19.708 1.00 1.73 H new ATOM 2747 N LEU B 71 4.671 -2.517 14.439 1.00 1.26 N ATOM 2748 CA LEU B 71 4.402 -2.016 13.105 1.00 1.14 C ATOM 2749 C LEU B 71 2.887 -2.099 12.869 1.00 1.19 C ATOM 2750 O LEU B 71 2.388 -3.043 12.261 1.00 1.35 O ATOM 2751 CB LEU B 71 5.236 -2.824 12.095 1.00 1.02 C ATOM 2752 CG LEU B 71 6.606 -2.241 11.754 1.00 1.22 C ATOM 2753 CD1 LEU B 71 6.396 -0.990 10.896 1.00 1.57 C ATOM 2754 CD2 LEU B 71 7.464 -1.987 12.996 1.00 1.44 C ATOM 0 H LEU B 71 4.706 -3.535 14.488 1.00 1.26 H new ATOM 0 HA LEU B 71 4.694 -0.973 12.981 1.00 1.14 H new ATOM 0 HB2 LEU B 71 5.377 -3.830 12.490 1.00 1.02 H new ATOM 0 HB3 LEU B 71 4.663 -2.921 11.173 1.00 1.02 H new ATOM 0 HG LEU B 71 7.179 -2.969 11.180 1.00 1.22 H new ATOM 0 HD11 LEU B 71 7.363 -0.557 10.641 1.00 1.57 H new ATOM 0 HD12 LEU B 71 5.867 -1.260 9.982 1.00 1.57 H new ATOM 0 HD13 LEU B 71 5.808 -0.261 11.454 1.00 1.57 H new ATOM 0 HD21 LEU B 71 8.426 -1.573 12.695 1.00 1.44 H new ATOM 0 HD22 LEU B 71 6.954 -1.281 13.652 1.00 1.44 H new ATOM 0 HD23 LEU B 71 7.623 -2.926 13.527 1.00 1.44 H new ATOM 2766 N LYS B 72 2.147 -1.116 13.385 1.00 1.19 N ATOM 2767 CA LYS B 72 0.682 -1.084 13.370 1.00 1.26 C ATOM 2768 C LYS B 72 0.137 -0.540 12.039 1.00 1.34 C ATOM 2769 O LYS B 72 0.915 -0.151 11.169 1.00 1.35 O ATOM 2770 CB LYS B 72 0.177 -0.304 14.598 1.00 1.46 C ATOM 2771 CG LYS B 72 0.552 1.187 14.589 1.00 1.49 C ATOM 2772 CD LYS B 72 0.134 1.884 15.895 1.00 2.22 C ATOM 2773 CE LYS B 72 1.077 1.597 17.077 1.00 2.74 C ATOM 2774 NZ LYS B 72 2.372 2.296 16.956 1.00 3.92 N ATOM 0 H LYS B 72 2.559 -0.299 13.836 1.00 1.19 H new ATOM 0 HA LYS B 72 0.297 -2.101 13.440 1.00 1.26 H new ATOM 0 HB2 LYS B 72 -0.908 -0.395 14.653 1.00 1.46 H new ATOM 0 HB3 LYS B 72 0.581 -0.764 15.500 1.00 1.46 H new ATOM 0 HG2 LYS B 72 1.628 1.291 14.448 1.00 1.49 H new ATOM 0 HG3 LYS B 72 0.071 1.679 13.743 1.00 1.49 H new ATOM 0 HD2 LYS B 72 0.094 2.960 15.726 1.00 2.22 H new ATOM 0 HD3 LYS B 72 -0.874 1.566 16.160 1.00 2.22 H new ATOM 0 HE2 LYS B 72 0.592 1.898 18.005 1.00 2.74 H new ATOM 0 HE3 LYS B 72 1.253 0.523 17.143 1.00 2.74 H new ATOM 0 HZ1 LYS B 72 2.974 2.054 17.769 1.00 3.92 H new ATOM 0 HZ2 LYS B 72 2.844 2.003 16.077 1.00 3.92 H new ATOM 0 HZ3 LYS B 72 2.212 3.323 16.937 1.00 3.92 H new ATOM 2788 N PHE B 73 -1.192 -0.494 11.859 1.00 1.51 N ATOM 2789 CA PHE B 73 -1.808 -0.132 10.578 1.00 1.66 C ATOM 2790 C PHE B 73 -1.910 1.392 10.371 1.00 1.67 C ATOM 2791 O PHE B 73 -2.975 1.901 10.028 1.00 1.88 O ATOM 2792 CB PHE B 73 -3.218 -0.747 10.475 1.00 2.01 C ATOM 2793 CG PHE B 73 -3.308 -2.257 10.361 1.00 1.46 C ATOM 2794 CD1 PHE B 73 -3.352 -2.850 9.082 1.00 2.89 C ATOM 2795 CD2 PHE B 73 -3.599 -3.037 11.496 1.00 2.40 C ATOM 2796 CE1 PHE B 73 -3.693 -4.206 8.940 1.00 3.89 C ATOM 2797 CE2 PHE B 73 -3.936 -4.395 11.352 1.00 3.49 C ATOM 2798 CZ PHE B 73 -3.977 -4.981 10.076 1.00 3.91 C ATOM 0 H PHE B 73 -1.865 -0.706 12.595 1.00 1.51 H new ATOM 0 HA PHE B 73 -1.158 -0.530 9.799 1.00 1.66 H new ATOM 0 HB2 PHE B 73 -3.786 -0.440 11.353 1.00 2.01 H new ATOM 0 HB3 PHE B 73 -3.714 -0.312 9.607 1.00 2.01 H new ATOM 0 HD1 PHE B 73 -3.123 -2.259 8.208 1.00 2.89 H new ATOM 0 HD2 PHE B 73 -3.563 -2.592 12.479 1.00 2.40 H new ATOM 0 HE1 PHE B 73 -3.737 -4.652 7.957 1.00 3.89 H new ATOM 0 HE2 PHE B 73 -4.164 -4.989 12.225 1.00 3.49 H new ATOM 0 HZ PHE B 73 -4.227 -6.026 9.969 1.00 3.91 H new ATOM 2808 N ASN B 74 -0.776 2.099 10.441 1.00 1.63 N ATOM 2809 CA ASN B 74 -0.172 2.715 9.257 1.00 1.37 C ATOM 2810 C ASN B 74 1.284 3.070 9.586 1.00 1.20 C ATOM 2811 O ASN B 74 1.756 4.168 9.301 1.00 1.44 O ATOM 2812 CB ASN B 74 -0.935 4.009 8.909 1.00 1.59 C ATOM 2813 CG ASN B 74 -0.748 4.502 7.474 1.00 1.75 C ATOM 2814 OD1 ASN B 74 -1.732 4.698 6.765 1.00 2.31 O ATOM 2815 ND2 ASN B 74 0.478 4.752 7.034 1.00 2.03 N ATOM 0 H ASN B 74 -0.259 2.258 11.306 1.00 1.63 H new ATOM 0 HA ASN B 74 -0.216 2.027 8.413 1.00 1.37 H new ATOM 0 HB2 ASN B 74 -1.998 3.845 9.085 1.00 1.59 H new ATOM 0 HB3 ASN B 74 -0.616 4.796 9.592 1.00 1.59 H new ATOM 0 HD21 ASN B 74 0.617 5.114 6.091 1.00 2.03 H new ATOM 0 HD22 ASN B 74 1.281 4.582 7.639 1.00 2.03 H new ATOM 2822 N GLU B 75 2.038 2.131 10.145 1.00 1.03 N ATOM 2823 CA GLU B 75 3.461 2.016 9.984 1.00 0.93 C ATOM 2824 C GLU B 75 3.740 1.054 8.833 1.00 0.91 C ATOM 2825 O GLU B 75 4.299 1.422 7.803 1.00 0.88 O ATOM 2826 CB GLU B 75 4.055 1.575 11.314 1.00 0.97 C ATOM 2827 CG GLU B 75 3.678 2.521 12.464 1.00 1.07 C ATOM 2828 CD GLU B 75 4.458 2.135 13.697 1.00 0.89 C ATOM 2829 OE1 GLU B 75 5.612 1.696 13.554 1.00 1.69 O ATOM 2830 OE2 GLU B 75 3.985 2.250 14.852 1.00 1.76 O ATOM 0 H GLU B 75 1.647 1.405 10.745 1.00 1.03 H new ATOM 0 HA GLU B 75 3.932 2.964 9.723 1.00 0.93 H new ATOM 0 HB2 GLU B 75 3.710 0.568 11.547 1.00 0.97 H new ATOM 0 HB3 GLU B 75 5.140 1.528 11.227 1.00 0.97 H new ATOM 0 HG2 GLU B 75 3.896 3.553 12.189 1.00 1.07 H new ATOM 0 HG3 GLU B 75 2.608 2.463 12.663 1.00 1.07 H new ATOM 2837 N TYR B 76 3.304 -0.202 9.020 1.00 0.97 N ATOM 2838 CA TYR B 76 3.776 -1.310 8.196 1.00 0.93 C ATOM 2839 C TYR B 76 3.439 -1.114 6.737 1.00 0.89 C ATOM 2840 O TYR B 76 4.204 -1.549 5.876 1.00 0.85 O ATOM 2841 CB TYR B 76 3.208 -2.658 8.637 1.00 0.90 C ATOM 2842 CG TYR B 76 4.014 -3.814 8.069 1.00 1.28 C ATOM 2843 CD1 TYR B 76 5.332 -4.022 8.515 1.00 3.19 C ATOM 2844 CD2 TYR B 76 3.519 -4.590 7.003 1.00 1.75 C ATOM 2845 CE1 TYR B 76 6.103 -5.069 7.990 1.00 4.22 C ATOM 2846 CE2 TYR B 76 4.275 -5.669 6.506 1.00 2.50 C ATOM 2847 CZ TYR B 76 5.551 -5.935 7.038 1.00 3.54 C ATOM 2848 OH TYR B 76 6.194 -7.099 6.751 1.00 4.69 O ATOM 0 H TYR B 76 2.627 -0.468 9.735 1.00 0.97 H new ATOM 0 HA TYR B 76 4.858 -1.318 8.329 1.00 0.93 H new ATOM 0 HB2 TYR B 76 3.206 -2.715 9.726 1.00 0.90 H new ATOM 0 HB3 TYR B 76 2.171 -2.741 8.311 1.00 0.90 H new ATOM 0 HD1 TYR B 76 5.753 -3.371 9.267 1.00 3.19 H new ATOM 0 HD2 TYR B 76 2.559 -4.357 6.566 1.00 1.75 H new ATOM 0 HE1 TYR B 76 7.122 -5.207 8.320 1.00 4.22 H new ATOM 0 HE2 TYR B 76 3.877 -6.291 5.718 1.00 2.50 H new ATOM 0 HH TYR B 76 7.151 -6.999 6.938 1.00 4.69 H new ATOM 2858 N TRP B 77 2.300 -0.455 6.478 1.00 0.94 N ATOM 2859 CA TRP B 77 1.895 -0.119 5.131 1.00 0.91 C ATOM 2860 C TRP B 77 3.122 0.357 4.327 1.00 0.75 C ATOM 2861 O TRP B 77 3.321 -0.108 3.202 1.00 0.70 O ATOM 2862 CB TRP B 77 0.724 0.895 5.124 1.00 1.05 C ATOM 2863 CG TRP B 77 0.611 1.566 3.794 1.00 1.02 C ATOM 2864 CD1 TRP B 77 0.804 0.875 2.653 1.00 1.56 C ATOM 2865 CD2 TRP B 77 0.929 2.944 3.438 1.00 2.08 C ATOM 2866 NE1 TRP B 77 1.638 1.634 1.861 1.00 1.86 N ATOM 2867 CE2 TRP B 77 1.843 2.896 2.359 1.00 2.12 C ATOM 2868 CE3 TRP B 77 0.475 4.224 3.801 1.00 3.67 C ATOM 2869 CZ2 TRP B 77 2.525 4.027 1.883 1.00 3.31 C ATOM 2870 CZ3 TRP B 77 0.892 5.336 3.043 1.00 4.58 C ATOM 2871 CH2 TRP B 77 2.054 5.282 2.267 1.00 4.35 C ATOM 0 H TRP B 77 1.647 -0.148 7.199 1.00 0.94 H new ATOM 0 HA TRP B 77 1.506 -1.009 4.637 1.00 0.91 H new ATOM 0 HB2 TRP B 77 -0.209 0.382 5.358 1.00 1.05 H new ATOM 0 HB3 TRP B 77 0.880 1.643 5.902 1.00 1.05 H new ATOM 0 HD1 TRP B 77 0.385 -0.089 2.407 1.00 1.56 H new ATOM 0 HE1 TRP B 77 2.058 1.294 0.996 1.00 1.86 H new ATOM 0 HE3 TRP B 77 -0.183 4.353 4.648 1.00 3.67 H new ATOM 0 HZ2 TRP B 77 3.387 3.928 1.240 1.00 3.31 H new ATOM 0 HZ3 TRP B 77 0.306 6.243 3.062 1.00 4.58 H new ATOM 0 HH2 TRP B 77 2.571 6.184 1.974 1.00 4.35 H new ATOM 2882 N ARG B 78 3.964 1.221 4.920 1.00 0.72 N ATOM 2883 CA ARG B 78 5.152 1.773 4.273 1.00 0.65 C ATOM 2884 C ARG B 78 5.863 0.723 3.415 1.00 0.59 C ATOM 2885 O ARG B 78 6.240 1.031 2.293 1.00 0.65 O ATOM 2886 CB ARG B 78 6.120 2.358 5.315 1.00 0.66 C ATOM 2887 CG ARG B 78 5.544 3.604 6.010 1.00 0.93 C ATOM 2888 CD ARG B 78 6.233 3.925 7.352 1.00 1.94 C ATOM 2889 NE ARG B 78 7.634 4.371 7.233 1.00 2.51 N ATOM 2890 CZ ARG B 78 8.029 5.607 6.894 1.00 2.95 C ATOM 2891 NH1 ARG B 78 7.148 6.483 6.400 1.00 3.22 N ATOM 2892 NH2 ARG B 78 9.305 5.957 7.069 1.00 4.11 N ATOM 0 H ARG B 78 3.831 1.556 5.874 1.00 0.72 H new ATOM 0 HA ARG B 78 4.822 2.576 3.614 1.00 0.65 H new ATOM 0 HB2 ARG B 78 6.347 1.599 6.064 1.00 0.66 H new ATOM 0 HB3 ARG B 78 7.060 2.618 4.829 1.00 0.66 H new ATOM 0 HG2 ARG B 78 5.643 4.461 5.344 1.00 0.93 H new ATOM 0 HG3 ARG B 78 4.478 3.455 6.183 1.00 0.93 H new ATOM 0 HD2 ARG B 78 5.661 4.700 7.862 1.00 1.94 H new ATOM 0 HD3 ARG B 78 6.201 3.037 7.983 1.00 1.94 H new ATOM 0 HE ARG B 78 8.362 3.683 7.424 1.00 2.51 H new ATOM 0 HH11 ARG B 78 6.172 6.212 6.280 1.00 3.22 H new ATOM 0 HH12 ARG B 78 7.452 7.422 6.143 1.00 3.22 H new ATOM 0 HH21 ARG B 78 9.969 5.287 7.457 1.00 4.11 H new ATOM 0 HH22 ARG B 78 9.616 6.894 6.815 1.00 4.11 H new ATOM 2906 N LEU B 79 5.982 -0.525 3.885 1.00 0.56 N ATOM 2907 CA LEU B 79 6.572 -1.592 3.100 1.00 0.59 C ATOM 2908 C LEU B 79 5.948 -1.718 1.701 1.00 0.61 C ATOM 2909 O LEU B 79 6.676 -1.663 0.716 1.00 0.68 O ATOM 2910 CB LEU B 79 6.503 -2.912 3.881 1.00 0.76 C ATOM 2911 CG LEU B 79 7.451 -3.977 3.306 1.00 0.88 C ATOM 2912 CD1 LEU B 79 8.921 -3.591 3.503 1.00 0.79 C ATOM 2913 CD2 LEU B 79 7.178 -5.322 3.984 1.00 1.09 C ATOM 0 H LEU B 79 5.672 -0.812 4.813 1.00 0.56 H new ATOM 0 HA LEU B 79 7.619 -1.341 2.929 1.00 0.59 H new ATOM 0 HB2 LEU B 79 6.756 -2.728 4.925 1.00 0.76 H new ATOM 0 HB3 LEU B 79 5.481 -3.290 3.863 1.00 0.76 H new ATOM 0 HG LEU B 79 7.265 -4.052 2.235 1.00 0.88 H new ATOM 0 HD11 LEU B 79 9.560 -4.368 3.084 1.00 0.79 H new ATOM 0 HD12 LEU B 79 9.120 -2.646 2.998 1.00 0.79 H new ATOM 0 HD13 LEU B 79 9.130 -3.484 4.568 1.00 0.79 H new ATOM 0 HD21 LEU B 79 7.850 -6.078 3.577 1.00 1.09 H new ATOM 0 HD22 LEU B 79 7.344 -5.229 5.057 1.00 1.09 H new ATOM 0 HD23 LEU B 79 6.145 -5.618 3.801 1.00 1.09 H new ATOM 2925 N ILE B 80 4.624 -1.863 1.566 1.00 0.66 N ATOM 2926 CA ILE B 80 3.982 -2.010 0.270 1.00 0.82 C ATOM 2927 C ILE B 80 4.065 -0.669 -0.470 1.00 1.00 C ATOM 2928 O ILE B 80 4.196 -0.633 -1.695 1.00 1.18 O ATOM 2929 CB ILE B 80 2.528 -2.507 0.419 1.00 0.92 C ATOM 2930 CG1 ILE B 80 2.350 -3.481 1.602 1.00 1.11 C ATOM 2931 CG2 ILE B 80 2.127 -3.198 -0.893 1.00 1.32 C ATOM 2932 CD1 ILE B 80 0.925 -4.030 1.706 1.00 1.43 C ATOM 0 H ILE B 80 3.976 -1.881 2.354 1.00 0.66 H new ATOM 0 HA ILE B 80 4.500 -2.769 -0.317 1.00 0.82 H new ATOM 0 HB ILE B 80 1.889 -1.649 0.627 1.00 0.92 H new ATOM 0 HG12 ILE B 80 3.048 -4.311 1.492 1.00 1.11 H new ATOM 0 HG13 ILE B 80 2.607 -2.970 2.530 1.00 1.11 H new ATOM 0 HG21 ILE B 80 1.102 -3.560 -0.815 1.00 1.32 H new ATOM 0 HG22 ILE B 80 2.199 -2.487 -1.716 1.00 1.32 H new ATOM 0 HG23 ILE B 80 2.795 -4.039 -1.080 1.00 1.32 H new ATOM 0 HD11 ILE B 80 0.858 -4.710 2.556 1.00 1.43 H new ATOM 0 HD12 ILE B 80 0.226 -3.205 1.845 1.00 1.43 H new ATOM 0 HD13 ILE B 80 0.674 -4.567 0.791 1.00 1.43 H new ATOM 2944 N GLY B 81 4.055 0.424 0.312 1.00 1.07 N ATOM 2945 CA GLY B 81 4.410 1.767 -0.113 1.00 1.34 C ATOM 2946 C GLY B 81 5.636 1.727 -1.002 1.00 1.18 C ATOM 2947 O GLY B 81 5.672 2.273 -2.103 1.00 1.41 O ATOM 0 H GLY B 81 3.787 0.382 1.295 1.00 1.07 H new ATOM 0 HA2 GLY B 81 3.576 2.218 -0.651 1.00 1.34 H new ATOM 0 HA3 GLY B 81 4.604 2.393 0.758 1.00 1.34 H new ATOM 2951 N GLU B 82 6.645 1.061 -0.459 1.00 0.88 N ATOM 2952 CA GLU B 82 7.953 0.914 -1.040 1.00 0.83 C ATOM 2953 C GLU B 82 7.904 -0.105 -2.179 1.00 0.84 C ATOM 2954 O GLU B 82 8.223 0.266 -3.295 1.00 0.90 O ATOM 2955 CB GLU B 82 8.960 0.586 0.063 1.00 0.73 C ATOM 2956 CG GLU B 82 8.930 1.653 1.180 1.00 0.76 C ATOM 2957 CD GLU B 82 10.088 2.630 1.083 1.00 1.11 C ATOM 2958 OE1 GLU B 82 11.149 2.321 1.680 1.00 2.23 O ATOM 2959 OE2 GLU B 82 9.871 3.675 0.419 1.00 2.11 O ATOM 0 H GLU B 82 6.560 0.590 0.442 1.00 0.88 H new ATOM 0 HA GLU B 82 8.291 1.845 -1.495 1.00 0.83 H new ATOM 0 HB2 GLU B 82 8.735 -0.393 0.485 1.00 0.73 H new ATOM 0 HB3 GLU B 82 9.962 0.527 -0.361 1.00 0.73 H new ATOM 0 HG2 GLU B 82 7.990 2.202 1.128 1.00 0.76 H new ATOM 0 HG3 GLU B 82 8.957 1.158 2.151 1.00 0.76 H new ATOM 2966 N LEU B 83 7.484 -1.355 -1.957 1.00 0.82 N ATOM 2967 CA LEU B 83 7.479 -2.390 -3.000 1.00 0.89 C ATOM 2968 C LEU B 83 6.992 -1.847 -4.357 1.00 0.84 C ATOM 2969 O LEU B 83 7.700 -1.909 -5.367 1.00 0.87 O ATOM 2970 CB LEU B 83 6.513 -3.533 -2.632 1.00 1.39 C ATOM 2971 CG LEU B 83 7.015 -4.687 -1.762 1.00 0.62 C ATOM 2972 CD1 LEU B 83 7.348 -4.327 -0.331 1.00 2.19 C ATOM 2973 CD2 LEU B 83 5.957 -5.802 -1.760 1.00 1.78 C ATOM 0 H LEU B 83 7.139 -1.678 -1.053 1.00 0.82 H new ATOM 0 HA LEU B 83 8.510 -2.736 -3.074 1.00 0.89 H new ATOM 0 HB2 LEU B 83 5.657 -3.088 -2.124 1.00 1.39 H new ATOM 0 HB3 LEU B 83 6.143 -3.962 -3.563 1.00 1.39 H new ATOM 0 HG LEU B 83 7.957 -5.003 -2.210 1.00 0.62 H new ATOM 0 HD11 LEU B 83 7.694 -5.216 0.197 1.00 2.19 H new ATOM 0 HD12 LEU B 83 8.132 -3.570 -0.319 1.00 2.19 H new ATOM 0 HD13 LEU B 83 6.458 -3.935 0.162 1.00 2.19 H new ATOM 0 HD21 LEU B 83 6.303 -6.631 -1.143 1.00 1.78 H new ATOM 0 HD22 LEU B 83 5.021 -5.415 -1.356 1.00 1.78 H new ATOM 0 HD23 LEU B 83 5.795 -6.152 -2.780 1.00 1.78 H new ATOM 2985 N ALA B 84 5.755 -1.335 -4.361 1.00 0.87 N ATOM 2986 CA ALA B 84 5.075 -0.876 -5.566 1.00 0.91 C ATOM 2987 C ALA B 84 5.795 0.310 -6.205 1.00 0.97 C ATOM 2988 O ALA B 84 5.727 0.505 -7.415 1.00 1.32 O ATOM 2989 CB ALA B 84 3.644 -0.489 -5.204 1.00 0.99 C ATOM 0 H ALA B 84 5.196 -1.229 -3.514 1.00 0.87 H new ATOM 0 HA ALA B 84 5.075 -1.685 -6.296 1.00 0.91 H new ATOM 0 HB1 ALA B 84 3.124 -0.143 -6.097 1.00 0.99 H new ATOM 0 HB2 ALA B 84 3.125 -1.356 -4.794 1.00 0.99 H new ATOM 0 HB3 ALA B 84 3.660 0.309 -4.462 1.00 0.99 H new ATOM 2995 N LYS B 85 6.481 1.106 -5.391 1.00 0.77 N ATOM 2996 CA LYS B 85 7.332 2.176 -5.866 1.00 0.88 C ATOM 2997 C LYS B 85 8.569 1.549 -6.512 1.00 0.82 C ATOM 2998 O LYS B 85 8.777 1.710 -7.714 1.00 0.93 O ATOM 2999 CB LYS B 85 7.603 3.093 -4.657 1.00 1.16 C ATOM 3000 CG LYS B 85 8.818 4.022 -4.684 1.00 0.87 C ATOM 3001 CD LYS B 85 9.195 4.417 -3.244 1.00 1.55 C ATOM 3002 CE LYS B 85 8.024 5.022 -2.445 1.00 0.83 C ATOM 3003 NZ LYS B 85 8.380 5.273 -1.032 1.00 1.76 N ATOM 0 H LYS B 85 6.457 1.020 -4.375 1.00 0.77 H new ATOM 0 HA LYS B 85 6.887 2.799 -6.642 1.00 0.88 H new ATOM 0 HB2 LYS B 85 6.719 3.713 -4.511 1.00 1.16 H new ATOM 0 HB3 LYS B 85 7.696 2.457 -3.777 1.00 1.16 H new ATOM 0 HG2 LYS B 85 9.659 3.525 -5.168 1.00 0.87 H new ATOM 0 HG3 LYS B 85 8.595 4.913 -5.270 1.00 0.87 H new ATOM 0 HD2 LYS B 85 9.565 3.536 -2.719 1.00 1.55 H new ATOM 0 HD3 LYS B 85 10.013 5.137 -3.276 1.00 1.55 H new ATOM 0 HE2 LYS B 85 7.714 5.957 -2.911 1.00 0.83 H new ATOM 0 HE3 LYS B 85 7.170 4.346 -2.488 1.00 0.83 H new ATOM 0 HZ1 LYS B 85 7.599 5.772 -0.561 1.00 1.76 H new ATOM 0 HZ2 LYS B 85 8.552 4.367 -0.551 1.00 1.76 H new ATOM 0 HZ3 LYS B 85 9.240 5.857 -0.989 1.00 1.76 H new ATOM 3017 N GLU B 86 9.364 0.810 -5.738 1.00 0.81 N ATOM 3018 CA GLU B 86 10.702 0.387 -6.115 1.00 0.97 C ATOM 3019 C GLU B 86 10.698 -0.431 -7.408 1.00 0.92 C ATOM 3020 O GLU B 86 11.610 -0.251 -8.211 1.00 1.17 O ATOM 3021 CB GLU B 86 11.373 -0.412 -4.978 1.00 1.10 C ATOM 3022 CG GLU B 86 11.548 0.377 -3.668 1.00 1.26 C ATOM 3023 CD GLU B 86 12.502 1.595 -3.760 1.00 1.83 C ATOM 3024 OE1 GLU B 86 13.752 1.429 -3.816 1.00 2.15 O ATOM 3025 OE2 GLU B 86 11.961 2.721 -3.746 1.00 2.73 O ATOM 0 H GLU B 86 9.085 0.485 -4.813 1.00 0.81 H new ATOM 0 HA GLU B 86 11.283 1.292 -6.295 1.00 0.97 H new ATOM 0 HB2 GLU B 86 10.778 -1.303 -4.775 1.00 1.10 H new ATOM 0 HB3 GLU B 86 12.351 -0.752 -5.317 1.00 1.10 H new ATOM 0 HG2 GLU B 86 10.569 0.725 -3.338 1.00 1.26 H new ATOM 0 HG3 GLU B 86 11.921 -0.301 -2.900 1.00 1.26 H new ATOM 3032 N ILE B 87 9.708 -1.317 -7.632 1.00 0.71 N ATOM 3033 CA ILE B 87 9.665 -2.122 -8.846 1.00 0.71 C ATOM 3034 C ILE B 87 9.898 -1.277 -10.109 1.00 0.75 C ATOM 3035 O ILE B 87 10.702 -1.640 -10.964 1.00 0.88 O ATOM 3036 CB ILE B 87 8.358 -2.942 -8.900 1.00 0.83 C ATOM 3037 CG1 ILE B 87 8.495 -4.016 -9.993 1.00 0.89 C ATOM 3038 CG2 ILE B 87 7.111 -2.084 -9.140 1.00 1.05 C ATOM 3039 CD1 ILE B 87 7.550 -5.174 -9.703 1.00 0.94 C ATOM 0 H ILE B 87 8.937 -1.485 -6.986 1.00 0.71 H new ATOM 0 HA ILE B 87 10.492 -2.831 -8.817 1.00 0.71 H new ATOM 0 HB ILE B 87 8.215 -3.403 -7.923 1.00 0.83 H new ATOM 0 HG12 ILE B 87 8.268 -3.586 -10.968 1.00 0.89 H new ATOM 0 HG13 ILE B 87 9.523 -4.376 -10.035 1.00 0.89 H new ATOM 0 HG21 ILE B 87 6.229 -2.724 -9.167 1.00 1.05 H new ATOM 0 HG22 ILE B 87 7.008 -1.358 -8.334 1.00 1.05 H new ATOM 0 HG23 ILE B 87 7.208 -1.560 -10.091 1.00 1.05 H new ATOM 0 HD11 ILE B 87 7.652 -5.931 -10.481 1.00 0.94 H new ATOM 0 HD12 ILE B 87 7.797 -5.612 -8.736 1.00 0.94 H new ATOM 0 HD13 ILE B 87 6.523 -4.810 -9.684 1.00 0.94 H new ATOM 3051 N ARG B 88 9.204 -0.138 -10.219 1.00 0.92 N ATOM 3052 CA ARG B 88 9.422 0.827 -11.289 1.00 1.30 C ATOM 3053 C ARG B 88 10.610 1.732 -10.949 1.00 1.43 C ATOM 3054 O ARG B 88 11.480 2.013 -11.773 1.00 1.69 O ATOM 3055 CB ARG B 88 8.135 1.641 -11.488 1.00 1.62 C ATOM 3056 CG ARG B 88 8.185 2.494 -12.769 1.00 2.08 C ATOM 3057 CD ARG B 88 7.773 3.945 -12.499 1.00 2.11 C ATOM 3058 NE ARG B 88 8.728 4.624 -11.609 1.00 2.40 N ATOM 3059 CZ ARG B 88 9.814 5.322 -11.986 1.00 2.91 C ATOM 3060 NH1 ARG B 88 10.210 5.345 -13.261 1.00 3.25 N ATOM 3061 NH2 ARG B 88 10.495 5.997 -11.061 1.00 4.27 N ATOM 0 H ARG B 88 8.473 0.136 -9.562 1.00 0.92 H new ATOM 0 HA ARG B 88 9.660 0.311 -12.219 1.00 1.30 H new ATOM 0 HB2 ARG B 88 7.282 0.964 -11.536 1.00 1.62 H new ATOM 0 HB3 ARG B 88 7.979 2.290 -10.626 1.00 1.62 H new ATOM 0 HG2 ARG B 88 9.194 2.473 -13.181 1.00 2.08 H new ATOM 0 HG3 ARG B 88 7.524 2.062 -13.520 1.00 2.08 H new ATOM 0 HD2 ARG B 88 7.707 4.486 -13.443 1.00 2.11 H new ATOM 0 HD3 ARG B 88 6.780 3.964 -12.050 1.00 2.11 H new ATOM 0 HE ARG B 88 8.549 4.559 -10.607 1.00 2.40 H new ATOM 0 HH11 ARG B 88 9.686 4.828 -13.967 1.00 3.25 H new ATOM 0 HH12 ARG B 88 11.036 5.880 -13.529 1.00 3.25 H new ATOM 0 HH21 ARG B 88 10.190 5.978 -10.088 1.00 4.27 H new ATOM 0 HH22 ARG B 88 11.322 6.533 -11.326 1.00 4.27 H new ATOM 3075 N LYS B 89 10.598 2.257 -9.727 1.00 1.44 N ATOM 3076 CA LYS B 89 11.471 3.297 -9.219 1.00 1.73 C ATOM 3077 C LYS B 89 12.787 2.661 -8.751 1.00 1.75 C ATOM 3078 O LYS B 89 13.160 2.767 -7.591 1.00 2.10 O ATOM 3079 CB LYS B 89 10.664 4.032 -8.126 1.00 1.96 C ATOM 3080 CG LYS B 89 10.992 5.516 -7.913 1.00 2.66 C ATOM 3081 CD LYS B 89 9.712 6.380 -7.866 1.00 3.62 C ATOM 3082 CE LYS B 89 9.973 7.857 -8.238 1.00 4.88 C ATOM 3083 NZ LYS B 89 8.739 8.675 -8.392 1.00 6.41 N ATOM 0 H LYS B 89 9.931 1.942 -9.022 1.00 1.44 H new ATOM 0 HA LYS B 89 11.771 4.034 -9.963 1.00 1.73 H new ATOM 0 HB2 LYS B 89 9.605 3.948 -8.370 1.00 1.96 H new ATOM 0 HB3 LYS B 89 10.816 3.510 -7.181 1.00 1.96 H new ATOM 0 HG2 LYS B 89 11.548 5.637 -6.983 1.00 2.66 H new ATOM 0 HG3 LYS B 89 11.638 5.866 -8.718 1.00 2.66 H new ATOM 0 HD2 LYS B 89 8.972 5.963 -8.550 1.00 3.62 H new ATOM 0 HD3 LYS B 89 9.283 6.332 -6.865 1.00 3.62 H new ATOM 0 HE2 LYS B 89 10.601 8.308 -7.469 1.00 4.88 H new ATOM 0 HE3 LYS B 89 10.537 7.891 -9.170 1.00 4.88 H new ATOM 0 HZ1 LYS B 89 8.966 9.678 -8.236 1.00 6.41 H new ATOM 0 HZ2 LYS B 89 8.358 8.552 -9.352 1.00 6.41 H new ATOM 0 HZ3 LYS B 89 8.030 8.368 -7.696 1.00 6.41 H new ATOM 3097 N LYS B 90 13.483 2.024 -9.712 1.00 2.16 N ATOM 3098 CA LYS B 90 14.617 1.119 -9.502 1.00 2.45 C ATOM 3099 C LYS B 90 15.586 1.605 -8.425 1.00 2.34 C ATOM 3100 O LYS B 90 16.069 0.789 -7.626 1.00 2.41 O ATOM 3101 CB LYS B 90 15.362 0.925 -10.841 1.00 2.99 C ATOM 3102 CG LYS B 90 16.389 -0.217 -10.742 1.00 3.30 C ATOM 3103 CD LYS B 90 17.143 -0.455 -12.059 1.00 3.90 C ATOM 3104 CE LYS B 90 18.146 0.671 -12.363 1.00 4.22 C ATOM 3105 NZ LYS B 90 18.952 0.386 -13.570 1.00 5.20 N ATOM 0 H LYS B 90 13.255 2.135 -10.700 1.00 2.16 H new ATOM 0 HA LYS B 90 14.215 0.171 -9.144 1.00 2.45 H new ATOM 0 HB2 LYS B 90 14.644 0.706 -11.632 1.00 2.99 H new ATOM 0 HB3 LYS B 90 15.868 1.850 -11.117 1.00 2.99 H new ATOM 0 HG2 LYS B 90 17.106 0.013 -9.954 1.00 3.30 H new ATOM 0 HG3 LYS B 90 15.878 -1.135 -10.450 1.00 3.30 H new ATOM 0 HD2 LYS B 90 17.672 -1.407 -12.007 1.00 3.90 H new ATOM 0 HD3 LYS B 90 16.427 -0.533 -12.877 1.00 3.90 H new ATOM 0 HE2 LYS B 90 17.607 1.609 -12.500 1.00 4.22 H new ATOM 0 HE3 LYS B 90 18.809 0.806 -11.508 1.00 4.22 H new ATOM 0 HZ1 LYS B 90 19.614 1.170 -13.738 1.00 5.20 H new ATOM 0 HZ2 LYS B 90 19.487 -0.495 -13.430 1.00 5.20 H new ATOM 0 HZ3 LYS B 90 18.322 0.283 -14.391 1.00 5.20 H new ATOM 3119 N LYS B 91 15.888 2.896 -8.395 1.00 2.38 N ATOM 3120 CA LYS B 91 16.477 3.496 -7.211 1.00 2.43 C ATOM 3121 C LYS B 91 15.935 4.895 -6.969 1.00 2.38 C ATOM 3122 O LYS B 91 15.554 5.183 -5.831 1.00 2.92 O ATOM 3123 CB LYS B 91 18.006 3.445 -7.244 1.00 2.99 C ATOM 3124 CG LYS B 91 18.579 3.705 -5.842 1.00 3.26 C ATOM 3125 CD LYS B 91 18.174 2.625 -4.810 1.00 4.24 C ATOM 3126 CE LYS B 91 17.243 3.075 -3.652 1.00 5.42 C ATOM 3127 NZ LYS B 91 15.782 3.154 -3.950 1.00 7.04 N ATOM 0 H LYS B 91 15.736 3.541 -9.170 1.00 2.38 H new ATOM 0 HA LYS B 91 16.177 2.895 -6.352 1.00 2.43 H new ATOM 0 HB2 LYS B 91 18.336 2.471 -7.604 1.00 2.99 H new ATOM 0 HB3 LYS B 91 18.386 4.189 -7.944 1.00 2.99 H new ATOM 0 HG2 LYS B 91 19.666 3.751 -5.903 1.00 3.26 H new ATOM 0 HG3 LYS B 91 18.238 4.679 -5.492 1.00 3.26 H new ATOM 0 HD2 LYS B 91 17.682 1.812 -5.345 1.00 4.24 H new ATOM 0 HD3 LYS B 91 19.084 2.214 -4.373 1.00 4.24 H new ATOM 0 HE2 LYS B 91 17.382 2.387 -2.818 1.00 5.42 H new ATOM 0 HE3 LYS B 91 17.573 4.057 -3.313 1.00 5.42 H new ATOM 0 HZ1 LYS B 91 15.274 3.497 -3.110 1.00 7.04 H new ATOM 0 HZ2 LYS B 91 15.624 3.810 -4.742 1.00 7.04 H new ATOM 0 HZ3 LYS B 91 15.428 2.210 -4.206 1.00 7.04 H new ATOM 3141 N ASP B 92 15.920 5.704 -8.034 1.00 2.42 N ATOM 3142 CA ASP B 92 15.221 6.971 -8.262 1.00 2.75 C ATOM 3143 C ASP B 92 14.314 7.426 -7.101 1.00 2.75 C ATOM 3144 O ASP B 92 13.094 7.321 -7.185 1.00 3.33 O ATOM 3145 CB ASP B 92 14.463 6.776 -9.591 1.00 3.18 C ATOM 3146 CG ASP B 92 13.508 7.899 -9.968 1.00 4.21 C ATOM 3147 OD1 ASP B 92 13.766 9.051 -9.568 1.00 4.83 O ATOM 3148 OD2 ASP B 92 12.525 7.566 -10.674 1.00 5.22 O ATOM 0 H ASP B 92 16.466 5.453 -8.858 1.00 2.42 H new ATOM 0 HA ASP B 92 15.933 7.794 -8.317 1.00 2.75 H new ATOM 0 HB2 ASP B 92 15.193 6.658 -10.392 1.00 3.18 H new ATOM 0 HB3 ASP B 92 13.898 5.845 -9.535 1.00 3.18 H new ATOM 3153 N LEU B 93 14.891 7.928 -6.000 1.00 2.57 N ATOM 3154 CA LEU B 93 14.138 8.344 -4.839 1.00 2.84 C ATOM 3155 C LEU B 93 14.920 9.449 -4.123 1.00 2.78 C ATOM 3156 O LEU B 93 14.546 10.615 -4.204 1.00 3.17 O ATOM 3157 CB LEU B 93 13.875 7.095 -3.985 1.00 3.11 C ATOM 3158 CG LEU B 93 13.272 7.429 -2.626 1.00 3.76 C ATOM 3159 CD1 LEU B 93 11.897 8.098 -2.745 1.00 5.31 C ATOM 3160 CD2 LEU B 93 13.164 6.154 -1.782 1.00 4.35 C ATOM 0 H LEU B 93 15.899 8.052 -5.903 1.00 2.57 H new ATOM 0 HA LEU B 93 13.167 8.772 -5.087 1.00 2.84 H new ATOM 0 HB2 LEU B 93 13.202 6.427 -4.523 1.00 3.11 H new ATOM 0 HB3 LEU B 93 14.811 6.555 -3.840 1.00 3.11 H new ATOM 0 HG LEU B 93 13.936 8.143 -2.139 1.00 3.76 H new ATOM 0 HD11 LEU B 93 11.511 8.315 -1.749 1.00 5.31 H new ATOM 0 HD12 LEU B 93 11.992 9.026 -3.308 1.00 5.31 H new ATOM 0 HD13 LEU B 93 11.210 7.428 -3.262 1.00 5.31 H new ATOM 0 HD21 LEU B 93 12.732 6.396 -0.811 1.00 4.35 H new ATOM 0 HD22 LEU B 93 12.526 5.432 -2.293 1.00 4.35 H new ATOM 0 HD23 LEU B 93 14.156 5.726 -1.641 1.00 4.35 H new ATOM 3172 N LYS B 94 16.003 9.095 -3.419 1.00 2.67 N ATOM 3173 CA LYS B 94 16.869 10.039 -2.721 1.00 2.98 C ATOM 3174 C LYS B 94 18.130 9.305 -2.275 1.00 3.46 C ATOM 3175 O LYS B 94 18.130 8.075 -2.237 1.00 4.06 O ATOM 3176 CB LYS B 94 16.163 10.658 -1.492 1.00 3.04 C ATOM 3177 CG LYS B 94 16.012 9.679 -0.313 1.00 3.44 C ATOM 3178 CD LYS B 94 15.253 10.325 0.852 1.00 4.70 C ATOM 3179 CE LYS B 94 15.166 9.334 2.025 1.00 5.90 C ATOM 3180 NZ LYS B 94 14.555 9.931 3.232 1.00 7.15 N ATOM 0 H LYS B 94 16.303 8.125 -3.320 1.00 2.67 H new ATOM 0 HA LYS B 94 17.119 10.853 -3.401 1.00 2.98 H new ATOM 0 HB2 LYS B 94 16.727 11.530 -1.160 1.00 3.04 H new ATOM 0 HB3 LYS B 94 15.176 11.011 -1.790 1.00 3.04 H new ATOM 0 HG2 LYS B 94 15.482 8.786 -0.644 1.00 3.44 H new ATOM 0 HG3 LYS B 94 16.997 9.358 0.025 1.00 3.44 H new ATOM 0 HD2 LYS B 94 15.761 11.236 1.169 1.00 4.70 H new ATOM 0 HD3 LYS B 94 14.252 10.613 0.532 1.00 4.70 H new ATOM 0 HE2 LYS B 94 14.583 8.466 1.719 1.00 5.90 H new ATOM 0 HE3 LYS B 94 16.167 8.976 2.268 1.00 5.90 H new ATOM 0 HZ1 LYS B 94 14.521 9.221 3.991 1.00 7.15 H new ATOM 0 HZ2 LYS B 94 15.124 10.744 3.543 1.00 7.15 H new ATOM 0 HZ3 LYS B 94 13.590 10.249 3.011 1.00 7.15 H new ATOM 3194 N ILE B 95 19.144 10.062 -1.845 1.00 4.33 N ATOM 3195 CA ILE B 95 20.245 9.563 -1.024 1.00 5.63 C ATOM 3196 C ILE B 95 20.533 10.528 0.137 1.00 5.72 C ATOM 3197 O ILE B 95 21.617 10.498 0.712 1.00 6.53 O ATOM 3198 CB ILE B 95 21.498 9.303 -1.884 1.00 7.43 C ATOM 3199 CG1 ILE B 95 21.968 10.579 -2.607 1.00 8.42 C ATOM 3200 CG2 ILE B 95 21.240 8.163 -2.880 1.00 8.21 C ATOM 3201 CD1 ILE B 95 23.342 10.402 -3.261 1.00 10.21 C ATOM 0 H ILE B 95 19.222 11.055 -2.063 1.00 4.33 H new ATOM 0 HA ILE B 95 19.951 8.608 -0.589 1.00 5.63 H new ATOM 0 HB ILE B 95 22.304 8.999 -1.216 1.00 7.43 H new ATOM 0 HG12 ILE B 95 21.238 10.853 -3.369 1.00 8.42 H new ATOM 0 HG13 ILE B 95 22.010 11.403 -1.895 1.00 8.42 H new ATOM 0 HG21 ILE B 95 22.135 7.993 -3.479 1.00 8.21 H new ATOM 0 HG22 ILE B 95 20.990 7.253 -2.335 1.00 8.21 H new ATOM 0 HG23 ILE B 95 20.411 8.433 -3.535 1.00 8.21 H new ATOM 0 HD11 ILE B 95 23.630 11.328 -3.758 1.00 10.21 H new ATOM 0 HD12 ILE B 95 24.079 10.155 -2.497 1.00 10.21 H new ATOM 0 HD13 ILE B 95 23.295 9.596 -3.994 1.00 10.21 H new ATOM 3213 N ARG B 96 19.579 11.403 0.486 1.00 5.18 N ATOM 3214 CA ARG B 96 19.785 12.441 1.489 1.00 5.43 C ATOM 3215 C ARG B 96 18.443 12.984 1.989 1.00 4.85 C ATOM 3216 O ARG B 96 17.703 13.580 1.213 1.00 4.67 O ATOM 3217 CB ARG B 96 20.689 13.563 0.937 1.00 6.07 C ATOM 3218 CG ARG B 96 20.220 14.182 -0.396 1.00 7.07 C ATOM 3219 CD ARG B 96 19.718 15.624 -0.247 1.00 7.20 C ATOM 3220 NE ARG B 96 20.801 16.542 0.141 1.00 7.57 N ATOM 3221 CZ ARG B 96 20.663 17.872 0.275 1.00 8.04 C ATOM 3222 NH1 ARG B 96 19.469 18.440 0.070 1.00 8.31 N ATOM 3223 NH2 ARG B 96 21.715 18.627 0.614 1.00 8.62 N ATOM 0 H ARG B 96 18.645 11.405 0.077 1.00 5.18 H new ATOM 0 HA ARG B 96 20.298 12.001 2.344 1.00 5.43 H new ATOM 0 HB2 ARG B 96 20.757 14.354 1.684 1.00 6.07 H new ATOM 0 HB3 ARG B 96 21.695 13.165 0.801 1.00 6.07 H new ATOM 0 HG2 ARG B 96 21.045 14.163 -1.109 1.00 7.07 H new ATOM 0 HG3 ARG B 96 19.423 13.568 -0.814 1.00 7.07 H new ATOM 0 HD2 ARG B 96 19.280 15.956 -1.188 1.00 7.20 H new ATOM 0 HD3 ARG B 96 18.927 15.658 0.502 1.00 7.20 H new ATOM 0 HE ARG B 96 21.721 16.140 0.321 1.00 7.57 H new ATOM 0 HH11 ARG B 96 18.668 17.864 -0.187 1.00 8.31 H new ATOM 0 HH12 ARG B 96 19.360 19.449 0.171 1.00 8.31 H new ATOM 0 HH21 ARG B 96 22.625 18.193 0.771 1.00 8.62 H new ATOM 0 HH22 ARG B 96 21.607 19.636 0.715 1.00 8.62 H new ATOM 3237 N LYS B 97 18.138 12.738 3.270 1.00 5.05 N ATOM 3238 CA LYS B 97 17.203 13.445 4.147 1.00 4.84 C ATOM 3239 C LYS B 97 16.697 12.445 5.181 1.00 5.67 C ATOM 3240 O LYS B 97 16.051 11.465 4.800 1.00 6.26 O ATOM 3241 CB LYS B 97 16.018 14.127 3.430 1.00 4.75 C ATOM 3242 CG LYS B 97 15.007 14.800 4.386 1.00 4.76 C ATOM 3243 CD LYS B 97 15.603 16.023 5.109 1.00 5.36 C ATOM 3244 CE LYS B 97 14.573 16.783 5.964 1.00 5.69 C ATOM 3245 NZ LYS B 97 14.267 16.104 7.240 1.00 5.91 N ATOM 0 H LYS B 97 18.584 11.964 3.763 1.00 5.05 H new ATOM 0 HA LYS B 97 17.749 14.271 4.604 1.00 4.84 H new ATOM 0 HB2 LYS B 97 16.407 14.878 2.742 1.00 4.75 H new ATOM 0 HB3 LYS B 97 15.494 13.384 2.829 1.00 4.75 H new ATOM 0 HG2 LYS B 97 14.128 15.109 3.821 1.00 4.76 H new ATOM 0 HG3 LYS B 97 14.671 14.073 5.125 1.00 4.76 H new ATOM 0 HD2 LYS B 97 16.424 15.696 5.747 1.00 5.36 H new ATOM 0 HD3 LYS B 97 16.025 16.704 4.370 1.00 5.36 H new ATOM 0 HE2 LYS B 97 14.951 17.784 6.173 1.00 5.69 H new ATOM 0 HE3 LYS B 97 13.652 16.902 5.393 1.00 5.69 H new ATOM 0 HZ1 LYS B 97 13.634 16.702 7.809 1.00 5.91 H new ATOM 0 HZ2 LYS B 97 13.802 15.194 7.046 1.00 5.91 H new ATOM 0 HZ3 LYS B 97 15.149 15.937 7.765 1.00 5.91 H new ATOM 3259 N LYS B 98 16.931 12.715 6.463 1.00 6.18 N ATOM 3260 CA LYS B 98 16.065 12.248 7.527 1.00 6.98 C ATOM 3261 C LYS B 98 15.314 13.508 7.937 1.00 6.34 C ATOM 3262 O LYS B 98 14.085 13.578 7.724 1.00 5.98 O ATOM 3263 CB LYS B 98 16.896 11.637 8.666 1.00 8.17 C ATOM 3264 CG LYS B 98 16.000 10.991 9.737 1.00 9.45 C ATOM 3265 CD LYS B 98 16.219 11.568 11.143 1.00 9.78 C ATOM 3266 CE LYS B 98 15.760 13.032 11.235 1.00 9.31 C ATOM 3267 NZ LYS B 98 15.801 13.544 12.621 1.00 9.43 N ATOM 3268 OXT LYS B 98 15.995 14.499 8.289 1.00 6.69 O ATOM 0 H LYS B 98 17.727 13.264 6.787 1.00 6.18 H new ATOM 0 HA LYS B 98 15.381 11.451 7.234 1.00 6.98 H new ATOM 0 HB2 LYS B 98 17.576 10.888 8.260 1.00 8.17 H new ATOM 0 HB3 LYS B 98 17.511 12.411 9.124 1.00 8.17 H new ATOM 0 HG2 LYS B 98 14.956 11.125 9.456 1.00 9.45 H new ATOM 0 HG3 LYS B 98 16.189 9.918 9.759 1.00 9.45 H new ATOM 0 HD2 LYS B 98 15.672 10.969 11.871 1.00 9.78 H new ATOM 0 HD3 LYS B 98 17.275 11.501 11.403 1.00 9.78 H new ATOM 0 HE2 LYS B 98 16.396 13.651 10.602 1.00 9.31 H new ATOM 0 HE3 LYS B 98 14.745 13.118 10.848 1.00 9.31 H new ATOM 0 HZ1 LYS B 98 15.483 14.534 12.635 1.00 9.43 H new ATOM 0 HZ2 LYS B 98 15.174 12.971 13.221 1.00 9.43 H new ATOM 0 HZ3 LYS B 98 16.774 13.488 12.983 1.00 9.43 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.216 12.097 -14.527 1.00 1.00 CA HETATM 3284 CA CA A 198 1.370 16.281 -4.039 1.00 1.24 CA HETATM 3285 CA CA B 199 2.808 -9.316 15.211 1.00 1.03 CA HETATM 3286 CA CA B 200 6.142 1.423 15.683 1.00 0.92 CA