USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 147 SER OG : rot -98:sc= 0.374 USER MOD Set 1.2: A 149 ASN : amide:sc= 1.21 K(o=1.6,f=0.33) USER MOD Set 2.1: A 5 THR OG1 : rot -46:sc= 1.53 USER MOD Set 2.2: A 133 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0) USER MOD Set 3.1: A 102 ASN : amide:sc= -1.77 K(o=-1.3,f=-2.9) USER MOD Set 3.2: A 125 LYS NZ :NH3+ -158:sc= 0.455 (180deg=-0.244) USER MOD Set 3.3: A 126 HIS : no HE2:sc= 0.0652 K(o=-1.3,f=-9.6!) USER MOD Set 4.1: A 92 HIS : no HD1:sc= -1.21 K(o=-0.97,f=-1.7) USER MOD Set 4.2: A 99 SER OG : rot 110:sc= -0.15 USER MOD Set 4.3: A 115 CYS SG : rot -29:sc= -0.0755 USER MOD Set 4.4: A 119 THR OG1 : rot -81:sc= 0.464 USER MOD Set 5.1: A 100 MET CE :methyl -147:sc= -0.0244 (180deg=-0.174) USER MOD Set 5.2: A 108 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.4!) USER MOD Set 6.1: A 71 ASN : amide:sc= 0.262 K(o=0.72,f=-8.1!) USER MOD Set 6.2: A 73 THR OG1 : rot 180:sc= 0.458 USER MOD Set 7.1: A 54 HIS : no HE2:sc= -3.36 K(o=-5.6,f=-11!) USER MOD Set 7.2: A 63 GLN : amide:sc= -2.28 X(o=-5.6,f=-5.9!) USER MOD Set 8.1: A 62 CYS SG : rot -69:sc= -0.583 USER MOD Set 8.2: A 142 MET CE :methyl 153:sc= -0.0449 (180deg=-1.24) USER MOD Set 9.1: A 31 LYS NZ :NH3+ -116:sc= 1.28 (180deg=-0.0313) USER MOD Set 9.2: A 79 TYR OH : rot 154:sc= 1.66 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= -0.614 (180deg=-0.669) USER MOD Single : A 3 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.39) USER MOD Single : A 21 SER OG : rot 180:sc= -0.398 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000244 USER MOD Single : A 35 ASN : amide:sc= -0.0355 X(o=-0.035,f=-0.18) USER MOD Single : A 40 SER OG : rot 73:sc= 0.949 USER MOD Single : A 41 THR OG1 : rot -57:sc= 0.537 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 108:sc= 1.31 USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 51 SER OG : rot 140:sc= 0.0351 USER MOD Single : A 52 CYS SG : rot -64:sc= -1.2 USER MOD Single : A 61 MET CE :methyl -166:sc= 0 (180deg=-0.0663) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0745 USER MOD Single : A 70 HIS : no HE2:sc= 0.238 K(o=0.24,f=-6.5!) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 1.21 (180deg=0.162) USER MOD Single : A 77 SER OG : rot -78:sc= 1.43 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0.391 (180deg=0.172) USER MOD Single : A 87 ASN : amide:sc= 1.38 K(o=1.4,f=-5.8!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.891) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0972 USER MOD Single : A 106 ASN : amide:sc=-0.00504 K(o=-0.005,f=-2.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0.176! USER MOD Single : A 111 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.8) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 174:sc= 1.16 (180deg=0.972) USER MOD Single : A 131 LYS NZ :NH3+ -105:sc= 1.12 (180deg=-2.81!) USER MOD Single : A 136 MET CE :methyl -153:sc= -0.224 (180deg=-1.61) USER MOD Single : A 137 ASN : amide:sc=-0.00341 K(o=-0.0034,f=-4.8!) USER MOD Single : A 151 LYS NZ :NH3+ -175:sc= 0.762 (180deg=0.688) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0293) USER MOD Single : A 157 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 161 CYS SG : rot 25:sc= -1.27 USER MOD Single : A 163 GLN : amide:sc= 0.284 K(o=0.28,f=-2.3!) USER MOD Single : B 205 BMT OG1 : rot -111:sc= -6.96! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.217 -22.017 -6.737 1.00 5.41 N ATOM 2 CA MET A 1 -0.806 -22.262 -7.740 1.00 4.92 C ATOM 3 C MET A 1 -2.127 -21.597 -7.349 1.00 4.47 C ATOM 4 O MET A 1 -3.174 -21.910 -7.913 1.00 5.36 O ATOM 5 CB MET A 1 -1.019 -23.770 -7.894 1.00 6.31 C ATOM 6 CG MET A 1 0.256 -24.455 -8.389 1.00 6.65 C ATOM 7 SD MET A 1 -0.052 -26.192 -8.662 1.00 8.44 S ATOM 8 CE MET A 1 1.563 -26.710 -9.218 1.00 8.86 C ATOM 0 H1 MET A 1 1.112 -22.449 -7.042 1.00 5.41 H new ATOM 0 H2 MET A 1 0.350 -20.992 -6.620 1.00 5.41 H new ATOM 0 H3 MET A 1 -0.078 -22.434 -5.831 1.00 5.41 H new ATOM 0 HA MET A 1 -0.472 -21.835 -8.685 1.00 4.92 H new ATOM 0 HB2 MET A 1 -1.319 -24.198 -6.937 1.00 6.31 H new ATOM 0 HB3 MET A 1 -1.832 -23.956 -8.595 1.00 6.31 H new ATOM 0 HG2 MET A 1 0.595 -23.987 -9.314 1.00 6.65 H new ATOM 0 HG3 MET A 1 1.054 -24.329 -7.657 1.00 6.65 H new ATOM 0 HE1 MET A 1 1.548 -27.778 -9.434 1.00 8.86 H new ATOM 0 HE2 MET A 1 1.831 -26.161 -10.121 1.00 8.86 H new ATOM 0 HE3 MET A 1 2.298 -26.508 -8.439 1.00 8.86 H new ATOM 18 N VAL A 2 -2.035 -20.690 -6.388 1.00 3.80 N ATOM 19 CA VAL A 2 -3.209 -19.971 -5.922 1.00 3.98 C ATOM 20 C VAL A 2 -2.809 -18.547 -5.535 1.00 3.40 C ATOM 21 O VAL A 2 -3.425 -17.941 -4.660 1.00 4.84 O ATOM 22 CB VAL A 2 -3.870 -20.739 -4.775 1.00 5.11 C ATOM 23 CG1 VAL A 2 -3.002 -20.699 -3.516 1.00 5.81 C ATOM 24 CG2 VAL A 2 -5.273 -20.198 -4.492 1.00 6.19 C ATOM 0 H VAL A 2 -1.166 -20.436 -5.919 1.00 3.80 H new ATOM 0 HA VAL A 2 -3.952 -19.895 -6.716 1.00 3.98 H new ATOM 0 HB VAL A 2 -3.967 -21.781 -5.081 1.00 5.11 H new ATOM 0 HG11 VAL A 2 -3.495 -21.252 -2.717 1.00 5.81 H new ATOM 0 HG12 VAL A 2 -2.033 -21.152 -3.727 1.00 5.81 H new ATOM 0 HG13 VAL A 2 -2.858 -19.664 -3.206 1.00 5.81 H new ATOM 0 HG21 VAL A 2 -5.721 -20.760 -3.673 1.00 6.19 H new ATOM 0 HG22 VAL A 2 -5.208 -19.145 -4.217 1.00 6.19 H new ATOM 0 HG23 VAL A 2 -5.890 -20.302 -5.384 1.00 6.19 H new ATOM 34 N ASN A 3 -1.780 -18.051 -6.208 1.00 1.66 N ATOM 35 CA ASN A 3 -1.275 -16.719 -5.928 1.00 1.04 C ATOM 36 C ASN A 3 -0.668 -16.692 -4.525 1.00 0.82 C ATOM 37 O ASN A 3 -1.083 -17.450 -3.650 1.00 1.08 O ATOM 38 CB ASN A 3 -2.400 -15.682 -5.977 1.00 1.02 C ATOM 39 CG ASN A 3 -3.328 -15.935 -7.167 1.00 1.56 C ATOM 40 OD1 ASN A 3 -4.469 -16.342 -7.021 1.00 3.34 O ATOM 41 ND2 ASN A 3 -2.776 -15.673 -8.348 1.00 1.31 N ATOM 0 H ASN A 3 -1.283 -18.549 -6.947 1.00 1.66 H new ATOM 0 HA ASN A 3 -0.527 -16.477 -6.683 1.00 1.04 H new ATOM 0 HB2 ASN A 3 -2.973 -15.718 -5.050 1.00 1.02 H new ATOM 0 HB3 ASN A 3 -1.974 -14.681 -6.050 1.00 1.02 H new ATOM 0 HD21 ASN A 3 -3.313 -15.810 -9.204 1.00 1.31 H new ATOM 0 HD22 ASN A 3 -1.815 -15.334 -8.398 1.00 1.31 H new ATOM 48 N PRO A 4 0.331 -15.786 -4.347 1.00 0.88 N ATOM 49 CA PRO A 4 0.962 -15.611 -3.050 1.00 0.96 C ATOM 50 C PRO A 4 0.047 -14.841 -2.095 1.00 0.70 C ATOM 51 O PRO A 4 -1.124 -14.617 -2.397 1.00 1.33 O ATOM 52 CB PRO A 4 2.265 -14.884 -3.340 1.00 1.58 C ATOM 53 CG PRO A 4 2.100 -14.269 -4.720 1.00 1.80 C ATOM 54 CD PRO A 4 0.885 -14.908 -5.374 1.00 1.38 C ATOM 0 HA PRO A 4 1.154 -16.558 -2.545 1.00 0.96 H new ATOM 0 HB2 PRO A 4 2.459 -14.116 -2.591 1.00 1.58 H new ATOM 0 HB3 PRO A 4 3.110 -15.572 -3.317 1.00 1.58 H new ATOM 0 HG2 PRO A 4 1.969 -13.190 -4.643 1.00 1.80 H new ATOM 0 HG3 PRO A 4 2.992 -14.440 -5.323 1.00 1.80 H new ATOM 0 HD2 PRO A 4 0.160 -14.155 -5.685 1.00 1.38 H new ATOM 0 HD3 PRO A 4 1.164 -15.469 -6.266 1.00 1.38 H new ATOM 62 N THR A 5 0.617 -14.454 -0.964 1.00 1.10 N ATOM 63 CA THR A 5 -0.123 -13.685 0.023 1.00 0.89 C ATOM 64 C THR A 5 0.812 -13.203 1.134 1.00 0.82 C ATOM 65 O THR A 5 1.847 -13.818 1.390 1.00 1.02 O ATOM 66 CB THR A 5 -1.275 -14.553 0.532 1.00 0.89 C ATOM 67 OG1 THR A 5 -2.429 -13.734 0.359 1.00 1.82 O ATOM 68 CG2 THR A 5 -1.208 -14.788 2.042 1.00 1.69 C ATOM 0 H THR A 5 1.583 -14.658 -0.708 1.00 1.10 H new ATOM 0 HA THR A 5 -0.547 -12.782 -0.416 1.00 0.89 H new ATOM 0 HB THR A 5 -1.263 -15.512 0.015 1.00 0.89 H new ATOM 0 HG1 THR A 5 -2.242 -12.831 0.690 1.00 1.82 H new ATOM 0 HG21 THR A 5 -2.048 -15.410 2.351 1.00 1.69 H new ATOM 0 HG22 THR A 5 -0.274 -15.291 2.291 1.00 1.69 H new ATOM 0 HG23 THR A 5 -1.254 -13.831 2.562 1.00 1.69 H new ATOM 76 N VAL A 6 0.415 -12.109 1.765 1.00 0.66 N ATOM 77 CA VAL A 6 1.184 -11.559 2.869 1.00 0.66 C ATOM 78 C VAL A 6 0.256 -11.319 4.062 1.00 0.65 C ATOM 79 O VAL A 6 -0.961 -11.452 3.943 1.00 0.88 O ATOM 80 CB VAL A 6 1.917 -10.295 2.418 1.00 0.88 C ATOM 81 CG1 VAL A 6 2.928 -10.611 1.314 1.00 1.22 C ATOM 82 CG2 VAL A 6 0.926 -9.220 1.962 1.00 1.46 C ATOM 0 H VAL A 6 -0.430 -11.587 1.533 1.00 0.66 H new ATOM 0 HA VAL A 6 1.950 -12.265 3.190 1.00 0.66 H new ATOM 0 HB VAL A 6 2.467 -9.904 3.274 1.00 0.88 H new ATOM 0 HG11 VAL A 6 3.435 -9.695 1.012 1.00 1.22 H new ATOM 0 HG12 VAL A 6 3.662 -11.326 1.686 1.00 1.22 H new ATOM 0 HG13 VAL A 6 2.408 -11.038 0.456 1.00 1.22 H new ATOM 0 HG21 VAL A 6 1.473 -8.331 1.646 1.00 1.46 H new ATOM 0 HG22 VAL A 6 0.337 -9.599 1.127 1.00 1.46 H new ATOM 0 HG23 VAL A 6 0.262 -8.963 2.788 1.00 1.46 H new ATOM 92 N PHE A 7 0.867 -10.970 5.184 1.00 0.69 N ATOM 93 CA PHE A 7 0.107 -10.616 6.370 1.00 0.81 C ATOM 94 C PHE A 7 0.619 -9.310 6.981 1.00 0.61 C ATOM 95 O PHE A 7 1.827 -9.106 7.098 1.00 0.77 O ATOM 96 CB PHE A 7 0.302 -11.748 7.381 1.00 1.20 C ATOM 97 CG PHE A 7 1.670 -11.741 8.066 1.00 1.25 C ATOM 98 CD1 PHE A 7 2.715 -12.408 7.506 1.00 2.19 C ATOM 99 CD2 PHE A 7 1.841 -11.069 9.236 1.00 2.09 C ATOM 100 CE1 PHE A 7 3.985 -12.401 8.143 1.00 2.61 C ATOM 101 CE2 PHE A 7 3.111 -11.062 9.873 1.00 2.57 C ATOM 102 CZ PHE A 7 4.156 -11.729 9.313 1.00 2.40 C ATOM 0 H PHE A 7 1.880 -10.925 5.297 1.00 0.69 H new ATOM 0 HA PHE A 7 -0.943 -10.478 6.111 1.00 0.81 H new ATOM 0 HB2 PHE A 7 -0.475 -11.679 8.143 1.00 1.20 H new ATOM 0 HB3 PHE A 7 0.166 -12.703 6.873 1.00 1.20 H new ATOM 0 HD1 PHE A 7 2.579 -12.943 6.578 1.00 2.19 H new ATOM 0 HD2 PHE A 7 1.011 -10.540 9.681 1.00 2.09 H new ATOM 0 HE1 PHE A 7 4.815 -12.930 7.698 1.00 2.61 H new ATOM 0 HE2 PHE A 7 3.247 -10.527 10.801 1.00 2.57 H new ATOM 0 HZ PHE A 7 5.121 -11.725 9.797 1.00 2.40 H new ATOM 112 N PHE A 8 -0.325 -8.458 7.353 1.00 0.59 N ATOM 113 CA PHE A 8 0.016 -7.158 7.907 1.00 0.70 C ATOM 114 C PHE A 8 -0.888 -6.812 9.092 1.00 0.65 C ATOM 115 O PHE A 8 -2.108 -6.747 8.947 1.00 0.76 O ATOM 116 CB PHE A 8 -0.201 -6.129 6.797 1.00 1.12 C ATOM 117 CG PHE A 8 1.046 -5.850 5.954 1.00 0.95 C ATOM 118 CD1 PHE A 8 1.404 -6.711 4.965 1.00 2.31 C ATOM 119 CD2 PHE A 8 1.795 -4.741 6.195 1.00 1.97 C ATOM 120 CE1 PHE A 8 2.561 -6.452 4.182 1.00 3.06 C ATOM 121 CE2 PHE A 8 2.951 -4.482 5.413 1.00 2.75 C ATOM 122 CZ PHE A 8 3.310 -5.343 4.423 1.00 2.90 C ATOM 0 H PHE A 8 -1.326 -8.642 7.282 1.00 0.59 H new ATOM 0 HA PHE A 8 1.047 -7.163 8.261 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -0.999 -6.479 6.142 1.00 1.12 H new ATOM 0 HB3 PHE A 8 -0.542 -5.195 7.243 1.00 1.12 H new ATOM 0 HD1 PHE A 8 0.809 -7.592 4.774 1.00 2.31 H new ATOM 0 HD2 PHE A 8 1.510 -4.057 6.981 1.00 1.97 H new ATOM 0 HE1 PHE A 8 2.845 -7.136 3.396 1.00 3.06 H new ATOM 0 HE2 PHE A 8 3.546 -3.601 5.604 1.00 2.75 H new ATOM 0 HZ PHE A 8 4.190 -5.146 3.828 1.00 2.90 H new ATOM 132 N ASP A 9 -0.255 -6.598 10.235 1.00 0.64 N ATOM 133 CA ASP A 9 -0.991 -6.303 11.453 1.00 0.66 C ATOM 134 C ASP A 9 -0.870 -4.810 11.767 1.00 0.66 C ATOM 135 O ASP A 9 0.235 -4.286 11.891 1.00 0.78 O ATOM 136 CB ASP A 9 -0.425 -7.083 12.641 1.00 0.77 C ATOM 137 CG ASP A 9 -1.430 -7.387 13.754 1.00 1.45 C ATOM 138 OD1 ASP A 9 -2.014 -6.412 14.273 1.00 2.30 O ATOM 139 OD2 ASP A 9 -1.593 -8.588 14.059 1.00 2.36 O ATOM 0 H ASP A 9 0.759 -6.623 10.344 1.00 0.64 H new ATOM 0 HA ASP A 9 -2.031 -6.589 11.297 1.00 0.66 H new ATOM 0 HB2 ASP A 9 -0.015 -8.024 12.276 1.00 0.77 H new ATOM 0 HB3 ASP A 9 0.404 -6.517 13.066 1.00 0.77 H new ATOM 144 N ILE A 10 -2.022 -4.168 11.887 1.00 0.68 N ATOM 145 CA ILE A 10 -2.060 -2.744 12.172 1.00 0.70 C ATOM 146 C ILE A 10 -2.279 -2.533 13.671 1.00 0.81 C ATOM 147 O ILE A 10 -3.055 -3.254 14.297 1.00 0.89 O ATOM 148 CB ILE A 10 -3.104 -2.050 11.294 1.00 0.72 C ATOM 149 CG1 ILE A 10 -2.965 -2.479 9.832 1.00 0.86 C ATOM 150 CG2 ILE A 10 -3.031 -0.529 11.454 1.00 0.87 C ATOM 151 CD1 ILE A 10 -1.552 -2.209 9.313 1.00 1.25 C ATOM 0 H ILE A 10 -2.937 -4.608 11.792 1.00 0.68 H new ATOM 0 HA ILE A 10 -1.106 -2.280 11.921 1.00 0.70 H new ATOM 0 HB ILE A 10 -4.093 -2.363 11.628 1.00 0.72 H new ATOM 0 HG12 ILE A 10 -3.194 -3.540 9.738 1.00 0.86 H new ATOM 0 HG13 ILE A 10 -3.690 -1.941 9.221 1.00 0.86 H new ATOM 0 HG21 ILE A 10 -3.783 -0.060 10.820 1.00 0.87 H new ATOM 0 HG22 ILE A 10 -3.217 -0.263 12.495 1.00 0.87 H new ATOM 0 HG23 ILE A 10 -2.041 -0.180 11.162 1.00 0.87 H new ATOM 0 HD11 ILE A 10 -1.481 -2.523 8.272 1.00 1.25 H new ATOM 0 HD12 ILE A 10 -1.335 -1.143 9.386 1.00 1.25 H new ATOM 0 HD13 ILE A 10 -0.832 -2.768 9.911 1.00 1.25 H new ATOM 163 N ALA A 11 -1.580 -1.542 14.205 1.00 0.88 N ATOM 164 CA ALA A 11 -1.697 -1.220 15.617 1.00 0.98 C ATOM 165 C ALA A 11 -1.892 0.289 15.777 1.00 0.92 C ATOM 166 O ALA A 11 -1.159 1.080 15.185 1.00 0.97 O ATOM 167 CB ALA A 11 -0.461 -1.730 16.361 1.00 1.10 C ATOM 0 H ALA A 11 -0.931 -0.952 13.685 1.00 0.88 H new ATOM 0 HA ALA A 11 -2.566 -1.713 16.052 1.00 0.98 H new ATOM 0 HB1 ALA A 11 -0.549 -1.489 17.420 1.00 1.10 H new ATOM 0 HB2 ALA A 11 -0.384 -2.811 16.240 1.00 1.10 H new ATOM 0 HB3 ALA A 11 0.431 -1.255 15.953 1.00 1.10 H new ATOM 173 N VAL A 12 -2.884 0.643 16.581 1.00 0.89 N ATOM 174 CA VAL A 12 -3.151 2.042 16.868 1.00 0.89 C ATOM 175 C VAL A 12 -2.685 2.364 18.290 1.00 0.93 C ATOM 176 O VAL A 12 -3.309 1.942 19.263 1.00 0.98 O ATOM 177 CB VAL A 12 -4.632 2.350 16.643 1.00 0.96 C ATOM 178 CG1 VAL A 12 -4.885 3.859 16.640 1.00 0.97 C ATOM 179 CG2 VAL A 12 -5.135 1.708 15.348 1.00 1.01 C ATOM 0 H VAL A 12 -3.512 -0.015 17.043 1.00 0.89 H new ATOM 0 HA VAL A 12 -2.592 2.684 16.187 1.00 0.89 H new ATOM 0 HB VAL A 12 -5.193 1.918 17.472 1.00 0.96 H new ATOM 0 HG11 VAL A 12 -5.946 4.050 16.478 1.00 0.97 H new ATOM 0 HG12 VAL A 12 -4.583 4.281 17.599 1.00 0.97 H new ATOM 0 HG13 VAL A 12 -4.307 4.323 15.841 1.00 0.97 H new ATOM 0 HG21 VAL A 12 -6.191 1.942 15.212 1.00 1.01 H new ATOM 0 HG22 VAL A 12 -4.565 2.097 14.504 1.00 1.01 H new ATOM 0 HG23 VAL A 12 -5.008 0.627 15.405 1.00 1.01 H new ATOM 189 N ASP A 13 -1.590 3.106 18.365 1.00 0.95 N ATOM 190 CA ASP A 13 -0.997 3.437 19.650 1.00 1.00 C ATOM 191 C ASP A 13 -0.941 2.180 20.520 1.00 1.03 C ATOM 192 O ASP A 13 -1.841 1.935 21.321 1.00 1.10 O ATOM 193 CB ASP A 13 -1.832 4.487 20.387 1.00 1.09 C ATOM 194 CG ASP A 13 -3.101 4.931 19.659 1.00 1.80 C ATOM 195 OD1 ASP A 13 -2.953 5.635 18.638 1.00 2.18 O ATOM 196 OD2 ASP A 13 -4.192 4.556 20.141 1.00 3.13 O ATOM 0 H ASP A 13 -1.098 3.487 17.557 1.00 0.95 H new ATOM 0 HA ASP A 13 0.002 3.833 19.469 1.00 1.00 H new ATOM 0 HB2 ASP A 13 -2.111 4.088 21.362 1.00 1.09 H new ATOM 0 HB3 ASP A 13 -1.209 5.363 20.568 1.00 1.09 H new ATOM 201 N GLY A 14 0.126 1.417 20.333 1.00 1.05 N ATOM 202 CA GLY A 14 0.394 0.281 21.198 1.00 1.15 C ATOM 203 C GLY A 14 -0.879 -0.532 21.446 1.00 1.14 C ATOM 204 O GLY A 14 -1.112 -1.001 22.558 1.00 1.27 O ATOM 0 H GLY A 14 0.815 1.563 19.595 1.00 1.05 H new ATOM 0 HA2 GLY A 14 1.153 -0.355 20.744 1.00 1.15 H new ATOM 0 HA3 GLY A 14 0.798 0.630 22.148 1.00 1.15 H new ATOM 208 N GLU A 15 -1.667 -0.673 20.391 1.00 1.04 N ATOM 209 CA GLU A 15 -2.867 -1.489 20.458 1.00 1.06 C ATOM 210 C GLU A 15 -3.135 -2.152 19.105 1.00 0.95 C ATOM 211 O GLU A 15 -3.311 -1.468 18.099 1.00 0.94 O ATOM 212 CB GLU A 15 -4.071 -0.658 20.908 1.00 1.12 C ATOM 213 CG GLU A 15 -5.197 -1.559 21.423 1.00 1.26 C ATOM 214 CD GLU A 15 -4.944 -1.979 22.872 1.00 2.26 C ATOM 215 OE1 GLU A 15 -5.356 -1.209 23.766 1.00 3.12 O ATOM 216 OE2 GLU A 15 -4.344 -3.060 23.053 1.00 3.41 O ATOM 0 H GLU A 15 -1.498 -0.236 19.485 1.00 1.04 H new ATOM 0 HA GLU A 15 -2.709 -2.272 21.200 1.00 1.06 H new ATOM 0 HB2 GLU A 15 -3.767 0.035 21.693 1.00 1.12 H new ATOM 0 HB3 GLU A 15 -4.434 -0.056 20.075 1.00 1.12 H new ATOM 0 HG2 GLU A 15 -6.149 -1.033 21.354 1.00 1.26 H new ATOM 0 HG3 GLU A 15 -5.276 -2.445 20.792 1.00 1.26 H new ATOM 223 N PRO A 16 -3.156 -3.512 19.126 1.00 0.91 N ATOM 224 CA PRO A 16 -3.347 -4.276 17.905 1.00 0.84 C ATOM 225 C PRO A 16 -4.805 -4.224 17.448 1.00 0.80 C ATOM 226 O PRO A 16 -5.702 -4.658 18.170 1.00 0.86 O ATOM 227 CB PRO A 16 -2.880 -5.682 18.244 1.00 0.87 C ATOM 228 CG PRO A 16 -2.883 -5.768 19.761 1.00 0.95 C ATOM 229 CD PRO A 16 -3.002 -4.355 20.309 1.00 0.97 C ATOM 0 HA PRO A 16 -2.781 -3.874 17.065 1.00 0.84 H new ATOM 0 HB2 PRO A 16 -3.544 -6.429 17.809 1.00 0.87 H new ATOM 0 HB3 PRO A 16 -1.883 -5.870 17.844 1.00 0.87 H new ATOM 0 HG2 PRO A 16 -3.714 -6.382 20.107 1.00 0.95 H new ATOM 0 HG3 PRO A 16 -1.968 -6.240 20.118 1.00 0.95 H new ATOM 0 HD2 PRO A 16 -3.858 -4.260 20.977 1.00 0.97 H new ATOM 0 HD3 PRO A 16 -2.118 -4.076 20.882 1.00 0.97 H new ATOM 237 N LEU A 17 -4.999 -3.692 16.250 1.00 0.77 N ATOM 238 CA LEU A 17 -6.339 -3.506 15.721 1.00 0.81 C ATOM 239 C LEU A 17 -6.801 -4.802 15.050 1.00 0.78 C ATOM 240 O LEU A 17 -7.958 -5.197 15.185 1.00 0.88 O ATOM 241 CB LEU A 17 -6.387 -2.286 14.800 1.00 0.89 C ATOM 242 CG LEU A 17 -7.772 -1.892 14.280 1.00 0.92 C ATOM 243 CD1 LEU A 17 -8.713 -1.549 15.437 1.00 0.94 C ATOM 244 CD2 LEU A 17 -7.672 -0.751 13.265 1.00 2.13 C ATOM 0 H LEU A 17 -4.250 -3.384 15.630 1.00 0.77 H new ATOM 0 HA LEU A 17 -7.041 -3.295 16.527 1.00 0.81 H new ATOM 0 HB2 LEU A 17 -5.966 -1.435 15.335 1.00 0.89 H new ATOM 0 HB3 LEU A 17 -5.740 -2.476 13.944 1.00 0.89 H new ATOM 0 HG LEU A 17 -8.199 -2.749 13.760 1.00 0.92 H new ATOM 0 HD11 LEU A 17 -9.690 -1.272 15.041 1.00 0.94 H new ATOM 0 HD12 LEU A 17 -8.818 -2.416 16.090 1.00 0.94 H new ATOM 0 HD13 LEU A 17 -8.302 -0.714 16.005 1.00 0.94 H new ATOM 0 HD21 LEU A 17 -8.669 -0.490 12.911 1.00 2.13 H new ATOM 0 HD22 LEU A 17 -7.216 0.118 13.739 1.00 2.13 H new ATOM 0 HD23 LEU A 17 -7.059 -1.067 12.421 1.00 2.13 H new ATOM 256 N GLY A 18 -5.873 -5.427 14.340 1.00 0.70 N ATOM 257 CA GLY A 18 -6.167 -6.674 13.656 1.00 0.77 C ATOM 258 C GLY A 18 -5.255 -6.863 12.442 1.00 0.71 C ATOM 259 O GLY A 18 -4.396 -6.025 12.171 1.00 0.75 O ATOM 0 H GLY A 18 -4.916 -5.092 14.224 1.00 0.70 H new ATOM 0 HA2 GLY A 18 -6.039 -7.509 14.345 1.00 0.77 H new ATOM 0 HA3 GLY A 18 -7.209 -6.681 13.337 1.00 0.77 H new ATOM 263 N ARG A 19 -5.472 -7.968 11.744 1.00 0.76 N ATOM 264 CA ARG A 19 -4.635 -8.313 10.608 1.00 0.78 C ATOM 265 C ARG A 19 -5.439 -8.226 9.309 1.00 0.73 C ATOM 266 O ARG A 19 -6.625 -8.553 9.287 1.00 0.81 O ATOM 267 CB ARG A 19 -4.063 -9.724 10.753 1.00 0.87 C ATOM 268 CG ARG A 19 -2.617 -9.784 10.256 1.00 1.28 C ATOM 269 CD ARG A 19 -1.863 -10.948 10.903 1.00 1.83 C ATOM 270 NE ARG A 19 -1.280 -10.518 12.194 1.00 2.54 N ATOM 271 CZ ARG A 19 -0.056 -10.863 12.617 1.00 3.58 C ATOM 272 NH1 ARG A 19 0.574 -11.909 12.064 1.00 4.20 N ATOM 273 NH2 ARG A 19 0.537 -10.162 13.593 1.00 4.71 N ATOM 0 H ARG A 19 -6.216 -8.636 11.944 1.00 0.76 H new ATOM 0 HA ARG A 19 -3.810 -7.601 10.576 1.00 0.78 H new ATOM 0 HB2 ARG A 19 -4.105 -10.032 11.798 1.00 0.87 H new ATOM 0 HB3 ARG A 19 -4.675 -10.428 10.189 1.00 0.87 H new ATOM 0 HG2 ARG A 19 -2.606 -9.896 9.172 1.00 1.28 H new ATOM 0 HG3 ARG A 19 -2.111 -8.846 10.485 1.00 1.28 H new ATOM 0 HD2 ARG A 19 -2.540 -11.787 11.062 1.00 1.83 H new ATOM 0 HD3 ARG A 19 -1.074 -11.297 10.236 1.00 1.83 H new ATOM 0 HE ARG A 19 -1.845 -9.922 12.799 1.00 2.54 H new ATOM 0 HH11 ARG A 19 0.122 -12.442 11.321 1.00 4.20 H new ATOM 0 HH12 ARG A 19 1.506 -12.172 12.386 1.00 4.20 H new ATOM 0 HH21 ARG A 19 0.057 -9.366 14.014 1.00 4.71 H new ATOM 0 HH22 ARG A 19 1.469 -10.424 13.915 1.00 4.71 H new ATOM 287 N VAL A 20 -4.763 -7.784 8.260 1.00 0.78 N ATOM 288 CA VAL A 20 -5.426 -7.540 6.990 1.00 0.83 C ATOM 289 C VAL A 20 -5.115 -8.688 6.028 1.00 1.15 C ATOM 290 O VAL A 20 -5.994 -9.482 5.697 1.00 3.01 O ATOM 291 CB VAL A 20 -5.018 -6.172 6.441 1.00 0.76 C ATOM 292 CG1 VAL A 20 -5.591 -5.950 5.040 1.00 0.84 C ATOM 293 CG2 VAL A 20 -5.443 -5.051 7.392 1.00 0.88 C ATOM 0 H VAL A 20 -3.762 -7.588 8.263 1.00 0.78 H new ATOM 0 HA VAL A 20 -6.507 -7.512 7.123 1.00 0.83 H new ATOM 0 HB VAL A 20 -3.931 -6.152 6.365 1.00 0.76 H new ATOM 0 HG11 VAL A 20 -5.286 -4.970 4.673 1.00 0.84 H new ATOM 0 HG12 VAL A 20 -5.217 -6.722 4.367 1.00 0.84 H new ATOM 0 HG13 VAL A 20 -6.679 -6.000 5.080 1.00 0.84 H new ATOM 0 HG21 VAL A 20 -5.141 -4.089 6.978 1.00 0.88 H new ATOM 0 HG22 VAL A 20 -6.526 -5.069 7.515 1.00 0.88 H new ATOM 0 HG23 VAL A 20 -4.965 -5.195 8.361 1.00 0.88 H new ATOM 303 N SER A 21 -3.861 -8.739 5.605 1.00 1.01 N ATOM 304 CA SER A 21 -3.429 -9.759 4.663 1.00 0.86 C ATOM 305 C SER A 21 -3.919 -9.412 3.255 1.00 0.67 C ATOM 306 O SER A 21 -5.084 -9.063 3.069 1.00 0.68 O ATOM 307 CB SER A 21 -3.937 -11.141 5.077 1.00 0.99 C ATOM 308 OG SER A 21 -4.052 -11.266 6.492 1.00 2.00 O ATOM 0 H SER A 21 -3.130 -8.091 5.897 1.00 1.01 H new ATOM 0 HA SER A 21 -2.339 -9.787 4.665 1.00 0.86 H new ATOM 0 HB2 SER A 21 -4.908 -11.323 4.617 1.00 0.99 H new ATOM 0 HB3 SER A 21 -3.257 -11.905 4.700 1.00 0.99 H new ATOM 0 HG SER A 21 -4.381 -12.162 6.716 1.00 2.00 H new ATOM 314 N PHE A 22 -3.006 -9.520 2.302 1.00 0.64 N ATOM 315 CA PHE A 22 -3.336 -9.237 0.916 1.00 0.52 C ATOM 316 C PHE A 22 -2.994 -10.428 0.017 1.00 0.48 C ATOM 317 O PHE A 22 -2.090 -11.202 0.324 1.00 0.64 O ATOM 318 CB PHE A 22 -2.490 -8.035 0.491 1.00 0.56 C ATOM 319 CG PHE A 22 -2.585 -6.840 1.443 1.00 0.64 C ATOM 320 CD1 PHE A 22 -3.763 -6.178 1.588 1.00 1.83 C ATOM 321 CD2 PHE A 22 -1.489 -6.442 2.145 1.00 2.15 C ATOM 322 CE1 PHE A 22 -3.850 -5.070 2.472 1.00 1.79 C ATOM 323 CE2 PHE A 22 -1.577 -5.334 3.028 1.00 2.30 C ATOM 324 CZ PHE A 22 -2.756 -4.672 3.172 1.00 0.94 C ATOM 0 H PHE A 22 -2.038 -9.799 2.462 1.00 0.64 H new ATOM 0 HA PHE A 22 -4.403 -9.038 0.821 1.00 0.52 H new ATOM 0 HB2 PHE A 22 -1.448 -8.345 0.416 1.00 0.56 H new ATOM 0 HB3 PHE A 22 -2.801 -7.719 -0.505 1.00 0.56 H new ATOM 0 HD1 PHE A 22 -4.633 -6.494 1.031 1.00 1.83 H new ATOM 0 HD2 PHE A 22 -0.553 -6.969 2.030 1.00 2.15 H new ATOM 0 HE1 PHE A 22 -4.786 -4.544 2.588 1.00 1.79 H new ATOM 0 HE2 PHE A 22 -0.708 -5.017 3.585 1.00 2.30 H new ATOM 0 HZ PHE A 22 -2.823 -3.829 3.844 1.00 0.94 H new ATOM 334 N GLU A 23 -3.736 -10.537 -1.075 1.00 0.45 N ATOM 335 CA GLU A 23 -3.573 -11.659 -1.983 1.00 0.51 C ATOM 336 C GLU A 23 -2.313 -11.477 -2.831 1.00 0.95 C ATOM 337 O GLU A 23 -1.823 -12.430 -3.434 1.00 2.79 O ATOM 338 CB GLU A 23 -4.809 -11.834 -2.868 1.00 0.88 C ATOM 339 CG GLU A 23 -6.041 -12.175 -2.027 1.00 1.25 C ATOM 340 CD GLU A 23 -7.326 -11.990 -2.838 1.00 1.75 C ATOM 341 OE1 GLU A 23 -7.279 -11.196 -3.802 1.00 2.98 O ATOM 342 OE2 GLU A 23 -8.325 -12.647 -2.475 1.00 2.11 O ATOM 0 H GLU A 23 -4.452 -9.866 -1.352 1.00 0.45 H new ATOM 0 HA GLU A 23 -3.461 -12.567 -1.390 1.00 0.51 H new ATOM 0 HB2 GLU A 23 -4.990 -10.918 -3.431 1.00 0.88 H new ATOM 0 HB3 GLU A 23 -4.631 -12.625 -3.596 1.00 0.88 H new ATOM 0 HG2 GLU A 23 -5.973 -13.205 -1.676 1.00 1.25 H new ATOM 0 HG3 GLU A 23 -6.070 -11.538 -1.143 1.00 1.25 H new ATOM 349 N LEU A 24 -1.824 -10.245 -2.850 1.00 1.56 N ATOM 350 CA LEU A 24 -0.757 -9.878 -3.765 1.00 1.53 C ATOM 351 C LEU A 24 -0.760 -10.837 -4.957 1.00 1.54 C ATOM 352 O LEU A 24 0.093 -11.719 -5.052 1.00 2.09 O ATOM 353 CB LEU A 24 0.583 -9.817 -3.029 1.00 1.77 C ATOM 354 CG LEU A 24 0.704 -8.745 -1.944 1.00 1.99 C ATOM 355 CD1 LEU A 24 2.161 -8.556 -1.520 1.00 2.42 C ATOM 356 CD2 LEU A 24 0.064 -7.431 -2.398 1.00 2.62 C ATOM 0 H LEU A 24 -2.147 -9.489 -2.246 1.00 1.56 H new ATOM 0 HA LEU A 24 -0.923 -8.876 -4.161 1.00 1.53 H new ATOM 0 HB2 LEU A 24 0.769 -10.790 -2.573 1.00 1.77 H new ATOM 0 HB3 LEU A 24 1.371 -9.653 -3.764 1.00 1.77 H new ATOM 0 HG LEU A 24 0.155 -9.084 -1.066 1.00 1.99 H new ATOM 0 HD11 LEU A 24 2.219 -7.789 -0.748 1.00 2.42 H new ATOM 0 HD12 LEU A 24 2.551 -9.495 -1.128 1.00 2.42 H new ATOM 0 HD13 LEU A 24 2.754 -8.249 -2.382 1.00 2.42 H new ATOM 0 HD21 LEU A 24 0.164 -6.686 -1.609 1.00 2.62 H new ATOM 0 HD22 LEU A 24 0.564 -7.075 -3.299 1.00 2.62 H new ATOM 0 HD23 LEU A 24 -0.992 -7.595 -2.611 1.00 2.62 H new ATOM 368 N PHE A 25 -1.730 -10.634 -5.837 1.00 1.49 N ATOM 369 CA PHE A 25 -1.769 -11.367 -7.091 1.00 1.47 C ATOM 370 C PHE A 25 -0.487 -11.143 -7.896 1.00 1.53 C ATOM 371 O PHE A 25 -0.145 -10.008 -8.224 1.00 2.27 O ATOM 372 CB PHE A 25 -2.958 -10.827 -7.887 1.00 1.54 C ATOM 373 CG PHE A 25 -4.318 -11.310 -7.379 1.00 1.63 C ATOM 374 CD1 PHE A 25 -4.514 -12.627 -7.108 1.00 2.87 C ATOM 375 CD2 PHE A 25 -5.331 -10.420 -7.198 1.00 2.05 C ATOM 376 CE1 PHE A 25 -5.777 -13.075 -6.636 1.00 3.28 C ATOM 377 CE2 PHE A 25 -6.593 -10.867 -6.727 1.00 2.02 C ATOM 378 CZ PHE A 25 -6.789 -12.185 -6.455 1.00 2.23 C ATOM 0 H PHE A 25 -2.495 -9.972 -5.706 1.00 1.49 H new ATOM 0 HA PHE A 25 -1.862 -12.435 -6.896 1.00 1.47 H new ATOM 0 HB2 PHE A 25 -2.937 -9.738 -7.858 1.00 1.54 H new ATOM 0 HB3 PHE A 25 -2.847 -11.120 -8.931 1.00 1.54 H new ATOM 0 HD1 PHE A 25 -3.710 -13.333 -7.251 1.00 2.87 H new ATOM 0 HD2 PHE A 25 -5.175 -9.373 -7.413 1.00 2.05 H new ATOM 0 HE1 PHE A 25 -5.933 -14.122 -6.421 1.00 3.28 H new ATOM 0 HE2 PHE A 25 -7.397 -10.161 -6.585 1.00 2.02 H new ATOM 0 HZ PHE A 25 -7.749 -12.525 -6.095 1.00 2.23 H new ATOM 388 N ALA A 26 0.187 -12.245 -8.192 1.00 0.90 N ATOM 389 CA ALA A 26 1.445 -12.180 -8.917 1.00 1.00 C ATOM 390 C ALA A 26 1.294 -12.905 -10.256 1.00 1.01 C ATOM 391 O ALA A 26 2.276 -13.386 -10.820 1.00 1.09 O ATOM 392 CB ALA A 26 2.562 -12.773 -8.056 1.00 1.10 C ATOM 0 H ALA A 26 -0.114 -13.187 -7.943 1.00 0.90 H new ATOM 0 HA ALA A 26 1.712 -11.145 -9.130 1.00 1.00 H new ATOM 0 HB1 ALA A 26 3.505 -12.724 -8.600 1.00 1.10 H new ATOM 0 HB2 ALA A 26 2.647 -12.205 -7.129 1.00 1.10 H new ATOM 0 HB3 ALA A 26 2.330 -13.813 -7.824 1.00 1.10 H new ATOM 398 N ASP A 27 0.057 -12.961 -10.727 1.00 1.36 N ATOM 399 CA ASP A 27 -0.243 -13.661 -11.964 1.00 1.39 C ATOM 400 C ASP A 27 -0.098 -12.693 -13.141 1.00 1.33 C ATOM 401 O ASP A 27 0.561 -13.008 -14.130 1.00 1.58 O ATOM 402 CB ASP A 27 -1.677 -14.192 -11.963 1.00 1.64 C ATOM 403 CG ASP A 27 -2.127 -14.844 -13.272 1.00 1.82 C ATOM 404 OD1 ASP A 27 -1.685 -15.987 -13.518 1.00 1.65 O ATOM 405 OD2 ASP A 27 -2.902 -14.184 -13.998 1.00 3.00 O ATOM 0 H ASP A 27 -0.750 -12.532 -10.274 1.00 1.36 H new ATOM 0 HA ASP A 27 0.451 -14.497 -12.055 1.00 1.39 H new ATOM 0 HB2 ASP A 27 -1.778 -14.920 -11.159 1.00 1.64 H new ATOM 0 HB3 ASP A 27 -2.353 -13.368 -11.734 1.00 1.64 H new ATOM 410 N LYS A 28 -0.725 -11.535 -12.993 1.00 1.43 N ATOM 411 CA LYS A 28 -0.811 -10.586 -14.091 1.00 1.43 C ATOM 412 C LYS A 28 0.348 -9.592 -13.991 1.00 1.32 C ATOM 413 O LYS A 28 0.703 -8.947 -14.977 1.00 1.49 O ATOM 414 CB LYS A 28 -2.189 -9.923 -14.118 1.00 1.61 C ATOM 415 CG LYS A 28 -3.295 -10.965 -14.299 1.00 1.37 C ATOM 416 CD LYS A 28 -4.678 -10.313 -14.239 1.00 2.38 C ATOM 417 CE LYS A 28 -5.781 -11.341 -14.492 1.00 2.39 C ATOM 418 NZ LYS A 28 -7.114 -10.708 -14.387 1.00 4.04 N ATOM 0 H LYS A 28 -1.178 -11.232 -12.131 1.00 1.43 H new ATOM 0 HA LYS A 28 -0.710 -11.099 -15.048 1.00 1.43 H new ATOM 0 HB2 LYS A 28 -2.350 -9.373 -13.191 1.00 1.61 H new ATOM 0 HB3 LYS A 28 -2.232 -9.197 -14.930 1.00 1.61 H new ATOM 0 HG2 LYS A 28 -3.169 -11.472 -15.256 1.00 1.37 H new ATOM 0 HG3 LYS A 28 -3.214 -11.726 -13.522 1.00 1.37 H new ATOM 0 HD2 LYS A 28 -4.824 -9.851 -13.263 1.00 2.38 H new ATOM 0 HD3 LYS A 28 -4.741 -9.517 -14.981 1.00 2.38 H new ATOM 0 HE2 LYS A 28 -5.657 -11.779 -15.482 1.00 2.39 H new ATOM 0 HE3 LYS A 28 -5.700 -12.154 -13.771 1.00 2.39 H new ATOM 0 HZ1 LYS A 28 -7.851 -11.420 -14.562 1.00 4.04 H new ATOM 0 HZ2 LYS A 28 -7.235 -10.311 -13.434 1.00 4.04 H new ATOM 0 HZ3 LYS A 28 -7.194 -9.947 -15.092 1.00 4.04 H new ATOM 432 N VAL A 29 0.906 -9.500 -12.793 1.00 1.09 N ATOM 433 CA VAL A 29 1.992 -8.567 -12.543 1.00 1.02 C ATOM 434 C VAL A 29 2.968 -9.185 -11.540 1.00 0.97 C ATOM 435 O VAL A 29 2.957 -8.835 -10.360 1.00 0.95 O ATOM 436 CB VAL A 29 1.429 -7.222 -12.080 1.00 1.02 C ATOM 437 CG1 VAL A 29 0.882 -6.419 -13.261 1.00 1.11 C ATOM 438 CG2 VAL A 29 0.358 -7.417 -11.005 1.00 1.10 C ATOM 0 H VAL A 29 0.627 -10.056 -11.985 1.00 1.09 H new ATOM 0 HA VAL A 29 2.549 -8.373 -13.460 1.00 1.02 H new ATOM 0 HB VAL A 29 2.246 -6.651 -11.639 1.00 1.02 H new ATOM 0 HG11 VAL A 29 0.488 -5.468 -12.903 1.00 1.11 H new ATOM 0 HG12 VAL A 29 1.683 -6.234 -13.977 1.00 1.11 H new ATOM 0 HG13 VAL A 29 0.085 -6.982 -13.746 1.00 1.11 H new ATOM 0 HG21 VAL A 29 -0.026 -6.446 -10.693 1.00 1.10 H new ATOM 0 HG22 VAL A 29 -0.458 -8.017 -11.409 1.00 1.10 H new ATOM 0 HG23 VAL A 29 0.793 -7.928 -10.146 1.00 1.10 H new ATOM 448 N PRO A 30 3.813 -10.117 -12.059 1.00 1.04 N ATOM 449 CA PRO A 30 4.745 -10.836 -11.209 1.00 1.10 C ATOM 450 C PRO A 30 5.922 -9.944 -10.807 1.00 1.18 C ATOM 451 O PRO A 30 6.358 -9.965 -9.657 1.00 2.28 O ATOM 452 CB PRO A 30 5.169 -12.045 -12.027 1.00 1.26 C ATOM 453 CG PRO A 30 4.823 -11.716 -13.469 1.00 1.28 C ATOM 454 CD PRO A 30 3.901 -10.508 -13.462 1.00 1.17 C ATOM 0 HA PRO A 30 4.299 -11.146 -10.264 1.00 1.10 H new ATOM 0 HB2 PRO A 30 6.236 -12.237 -11.916 1.00 1.26 H new ATOM 0 HB3 PRO A 30 4.647 -12.943 -11.696 1.00 1.26 H new ATOM 0 HG2 PRO A 30 5.727 -11.503 -14.040 1.00 1.28 H new ATOM 0 HG3 PRO A 30 4.336 -12.565 -13.948 1.00 1.28 H new ATOM 0 HD2 PRO A 30 4.302 -9.700 -14.074 1.00 1.17 H new ATOM 0 HD3 PRO A 30 2.920 -10.757 -13.866 1.00 1.17 H new ATOM 462 N LYS A 31 6.402 -9.180 -11.777 1.00 1.07 N ATOM 463 CA LYS A 31 7.573 -8.346 -11.564 1.00 1.04 C ATOM 464 C LYS A 31 7.264 -7.309 -10.482 1.00 0.97 C ATOM 465 O LYS A 31 8.084 -7.068 -9.597 1.00 1.07 O ATOM 466 CB LYS A 31 8.044 -7.736 -12.885 1.00 1.10 C ATOM 467 CG LYS A 31 9.333 -6.933 -12.690 1.00 1.83 C ATOM 468 CD LYS A 31 10.490 -7.559 -13.469 1.00 2.25 C ATOM 469 CE LYS A 31 10.974 -8.844 -12.795 1.00 3.49 C ATOM 470 NZ LYS A 31 11.493 -8.555 -11.440 1.00 4.97 N ATOM 0 H LYS A 31 6.001 -9.121 -12.713 1.00 1.07 H new ATOM 0 HA LYS A 31 8.408 -8.946 -11.202 1.00 1.04 H new ATOM 0 HB2 LYS A 31 8.211 -8.527 -13.616 1.00 1.10 H new ATOM 0 HB3 LYS A 31 7.266 -7.089 -13.289 1.00 1.10 H new ATOM 0 HG2 LYS A 31 9.180 -5.906 -13.022 1.00 1.83 H new ATOM 0 HG3 LYS A 31 9.583 -6.892 -11.630 1.00 1.83 H new ATOM 0 HD2 LYS A 31 10.171 -7.777 -14.488 1.00 2.25 H new ATOM 0 HD3 LYS A 31 11.313 -6.848 -13.538 1.00 2.25 H new ATOM 0 HE2 LYS A 31 10.154 -9.559 -12.732 1.00 3.49 H new ATOM 0 HE3 LYS A 31 11.755 -9.306 -13.399 1.00 3.49 H new ATOM 0 HZ1 LYS A 31 12.508 -8.777 -11.403 1.00 4.97 H new ATOM 0 HZ2 LYS A 31 11.350 -7.548 -11.221 1.00 4.97 H new ATOM 0 HZ3 LYS A 31 10.986 -9.136 -10.743 1.00 4.97 H new ATOM 484 N THR A 32 6.081 -6.724 -10.588 1.00 0.90 N ATOM 485 CA THR A 32 5.661 -5.706 -9.640 1.00 0.91 C ATOM 486 C THR A 32 5.487 -6.315 -8.248 1.00 0.88 C ATOM 487 O THR A 32 5.931 -5.739 -7.254 1.00 1.03 O ATOM 488 CB THR A 32 4.387 -5.053 -10.180 1.00 0.89 C ATOM 489 OG1 THR A 32 4.713 -4.723 -11.529 1.00 1.08 O ATOM 490 CG2 THR A 32 4.100 -3.700 -9.526 1.00 0.86 C ATOM 0 H THR A 32 5.399 -6.935 -11.316 1.00 0.90 H new ATOM 0 HA THR A 32 6.419 -4.931 -9.530 1.00 0.91 H new ATOM 0 HB THR A 32 3.540 -5.721 -10.020 1.00 0.89 H new ATOM 0 HG1 THR A 32 3.942 -4.296 -11.957 1.00 1.08 H new ATOM 0 HG21 THR A 32 3.186 -3.280 -9.945 1.00 0.86 H new ATOM 0 HG22 THR A 32 3.979 -3.834 -8.451 1.00 0.86 H new ATOM 0 HG23 THR A 32 4.931 -3.021 -9.715 1.00 0.86 H new ATOM 498 N ALA A 33 4.841 -7.471 -8.218 1.00 0.78 N ATOM 499 CA ALA A 33 4.586 -8.154 -6.961 1.00 0.82 C ATOM 500 C ALA A 33 5.918 -8.555 -6.324 1.00 0.83 C ATOM 501 O ALA A 33 6.052 -8.547 -5.101 1.00 0.92 O ATOM 502 CB ALA A 33 3.673 -9.356 -7.210 1.00 0.84 C ATOM 0 H ALA A 33 4.486 -7.952 -9.044 1.00 0.78 H new ATOM 0 HA ALA A 33 4.073 -7.494 -6.262 1.00 0.82 H new ATOM 0 HB1 ALA A 33 3.481 -9.869 -6.267 1.00 0.84 H new ATOM 0 HB2 ALA A 33 2.729 -9.014 -7.636 1.00 0.84 H new ATOM 0 HB3 ALA A 33 4.157 -10.043 -7.905 1.00 0.84 H new ATOM 508 N GLU A 34 6.869 -8.896 -7.181 1.00 0.86 N ATOM 509 CA GLU A 34 8.170 -9.344 -6.716 1.00 0.99 C ATOM 510 C GLU A 34 8.706 -8.396 -5.643 1.00 0.87 C ATOM 511 O GLU A 34 9.130 -8.836 -4.575 1.00 0.94 O ATOM 512 CB GLU A 34 9.156 -9.468 -7.880 1.00 1.23 C ATOM 513 CG GLU A 34 10.412 -10.231 -7.457 1.00 1.43 C ATOM 514 CD GLU A 34 11.445 -10.256 -8.585 1.00 2.86 C ATOM 515 OE1 GLU A 34 11.009 -10.366 -9.751 1.00 4.18 O ATOM 516 OE2 GLU A 34 12.647 -10.165 -8.255 1.00 3.66 O ATOM 0 H GLU A 34 6.764 -8.871 -8.195 1.00 0.86 H new ATOM 0 HA GLU A 34 8.054 -10.333 -6.274 1.00 0.99 H new ATOM 0 HB2 GLU A 34 8.677 -9.982 -8.713 1.00 1.23 H new ATOM 0 HB3 GLU A 34 9.432 -8.475 -8.235 1.00 1.23 H new ATOM 0 HG2 GLU A 34 10.845 -9.763 -6.573 1.00 1.43 H new ATOM 0 HG3 GLU A 34 10.146 -11.251 -7.180 1.00 1.43 H new ATOM 523 N ASN A 35 8.670 -7.110 -5.962 1.00 0.85 N ATOM 524 CA ASN A 35 9.207 -6.100 -5.066 1.00 0.93 C ATOM 525 C ASN A 35 8.613 -6.297 -3.670 1.00 1.11 C ATOM 526 O ASN A 35 9.348 -6.424 -2.691 1.00 1.89 O ATOM 527 CB ASN A 35 8.844 -4.693 -5.541 1.00 1.07 C ATOM 528 CG ASN A 35 9.421 -4.417 -6.931 1.00 2.02 C ATOM 529 OD1 ASN A 35 8.842 -4.753 -7.950 1.00 3.72 O ATOM 530 ND2 ASN A 35 10.592 -3.786 -6.914 1.00 2.69 N ATOM 0 H ASN A 35 8.277 -6.744 -6.829 1.00 0.85 H new ATOM 0 HA ASN A 35 10.292 -6.205 -5.050 1.00 0.93 H new ATOM 0 HB2 ASN A 35 7.760 -4.582 -5.565 1.00 1.07 H new ATOM 0 HB3 ASN A 35 9.224 -3.957 -4.833 1.00 1.07 H new ATOM 0 HD21 ASN A 35 11.060 -3.555 -7.791 1.00 2.69 H new ATOM 0 HD22 ASN A 35 11.022 -3.533 -6.024 1.00 2.69 H new ATOM 537 N PHE A 36 7.290 -6.315 -3.621 1.00 0.81 N ATOM 538 CA PHE A 36 6.587 -6.361 -2.351 1.00 0.93 C ATOM 539 C PHE A 36 6.785 -7.713 -1.663 1.00 0.93 C ATOM 540 O PHE A 36 6.911 -7.781 -0.442 1.00 1.10 O ATOM 541 CB PHE A 36 5.100 -6.169 -2.654 1.00 1.00 C ATOM 542 CG PHE A 36 4.739 -4.759 -3.127 1.00 2.13 C ATOM 543 CD1 PHE A 36 4.861 -3.705 -2.276 1.00 2.94 C ATOM 544 CD2 PHE A 36 4.294 -4.561 -4.396 1.00 3.61 C ATOM 545 CE1 PHE A 36 4.526 -2.397 -2.716 1.00 4.35 C ATOM 546 CE2 PHE A 36 3.959 -3.253 -4.835 1.00 5.19 C ATOM 547 CZ PHE A 36 4.081 -2.198 -3.985 1.00 5.31 C ATOM 0 H PHE A 36 6.685 -6.299 -4.442 1.00 0.81 H new ATOM 0 HA PHE A 36 6.970 -5.586 -1.687 1.00 0.93 H new ATOM 0 HB2 PHE A 36 4.800 -6.886 -3.418 1.00 1.00 H new ATOM 0 HB3 PHE A 36 4.524 -6.399 -1.758 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.212 -3.863 -1.267 1.00 2.94 H new ATOM 0 HD2 PHE A 36 4.195 -5.399 -5.070 1.00 3.61 H new ATOM 0 HE1 PHE A 36 4.625 -1.559 -2.042 1.00 4.35 H new ATOM 0 HE2 PHE A 36 3.607 -3.096 -5.844 1.00 5.19 H new ATOM 0 HZ PHE A 36 3.825 -1.203 -4.318 1.00 5.31 H new ATOM 557 N ARG A 37 6.806 -8.758 -2.479 1.00 0.90 N ATOM 558 CA ARG A 37 7.026 -10.101 -1.968 1.00 1.13 C ATOM 559 C ARG A 37 8.429 -10.217 -1.369 1.00 1.29 C ATOM 560 O ARG A 37 8.639 -10.957 -0.410 1.00 1.58 O ATOM 561 CB ARG A 37 6.864 -11.143 -3.077 1.00 1.24 C ATOM 562 CG ARG A 37 6.785 -12.556 -2.493 1.00 1.51 C ATOM 563 CD ARG A 37 7.922 -13.432 -3.022 1.00 2.30 C ATOM 564 NE ARG A 37 7.691 -14.844 -2.641 1.00 2.71 N ATOM 565 CZ ARG A 37 6.709 -15.606 -3.142 1.00 3.09 C ATOM 566 NH1 ARG A 37 6.028 -15.197 -4.221 1.00 3.46 N ATOM 567 NH2 ARG A 37 6.410 -16.778 -2.564 1.00 4.22 N ATOM 0 H ARG A 37 6.674 -8.702 -3.489 1.00 0.90 H new ATOM 0 HA ARG A 37 6.281 -10.290 -1.195 1.00 1.13 H new ATOM 0 HB2 ARG A 37 5.962 -10.932 -3.651 1.00 1.24 H new ATOM 0 HB3 ARG A 37 7.704 -11.078 -3.768 1.00 1.24 H new ATOM 0 HG2 ARG A 37 6.835 -12.507 -1.405 1.00 1.51 H new ATOM 0 HG3 ARG A 37 5.826 -13.006 -2.748 1.00 1.51 H new ATOM 0 HD2 ARG A 37 7.985 -13.345 -4.107 1.00 2.30 H new ATOM 0 HD3 ARG A 37 8.875 -13.089 -2.619 1.00 2.30 H new ATOM 0 HE ARG A 37 8.318 -15.263 -1.954 1.00 2.71 H new ATOM 0 HH11 ARG A 37 6.257 -14.306 -4.661 1.00 3.46 H new ATOM 0 HH12 ARG A 37 5.281 -15.777 -4.602 1.00 3.46 H new ATOM 0 HH21 ARG A 37 6.930 -17.089 -1.743 1.00 4.22 H new ATOM 0 HH22 ARG A 37 5.663 -17.358 -2.945 1.00 4.22 H new ATOM 581 N ALA A 38 9.354 -9.474 -1.961 1.00 1.16 N ATOM 582 CA ALA A 38 10.728 -9.474 -1.486 1.00 1.29 C ATOM 583 C ALA A 38 10.811 -8.691 -0.175 1.00 1.34 C ATOM 584 O ALA A 38 11.382 -9.171 0.803 1.00 1.49 O ATOM 585 CB ALA A 38 11.641 -8.895 -2.570 1.00 1.25 C ATOM 0 H ALA A 38 9.179 -8.869 -2.764 1.00 1.16 H new ATOM 0 HA ALA A 38 11.064 -10.491 -1.283 1.00 1.29 H new ATOM 0 HB1 ALA A 38 12.672 -8.894 -2.215 1.00 1.25 H new ATOM 0 HB2 ALA A 38 11.568 -9.504 -3.471 1.00 1.25 H new ATOM 0 HB3 ALA A 38 11.335 -7.874 -2.797 1.00 1.25 H new ATOM 591 N LEU A 39 10.233 -7.499 -0.196 1.00 1.31 N ATOM 592 CA LEU A 39 10.218 -6.654 0.984 1.00 1.39 C ATOM 593 C LEU A 39 9.669 -7.449 2.171 1.00 1.66 C ATOM 594 O LEU A 39 10.225 -7.400 3.266 1.00 2.22 O ATOM 595 CB LEU A 39 9.452 -5.358 0.706 1.00 1.25 C ATOM 596 CG LEU A 39 10.141 -4.358 -0.224 1.00 1.05 C ATOM 597 CD1 LEU A 39 9.295 -3.094 -0.393 1.00 1.08 C ATOM 598 CD2 LEU A 39 11.555 -4.041 0.263 1.00 1.26 C ATOM 0 H LEU A 39 9.771 -7.099 -1.013 1.00 1.31 H new ATOM 0 HA LEU A 39 11.231 -6.349 1.246 1.00 1.39 H new ATOM 0 HB2 LEU A 39 8.484 -5.616 0.276 1.00 1.25 H new ATOM 0 HB3 LEU A 39 9.256 -4.864 1.658 1.00 1.25 H new ATOM 0 HG LEU A 39 10.235 -4.816 -1.209 1.00 1.05 H new ATOM 0 HD11 LEU A 39 9.807 -2.400 -1.059 1.00 1.08 H new ATOM 0 HD12 LEU A 39 8.327 -3.358 -0.819 1.00 1.08 H new ATOM 0 HD13 LEU A 39 9.147 -2.623 0.579 1.00 1.08 H new ATOM 0 HD21 LEU A 39 12.022 -3.328 -0.416 1.00 1.26 H new ATOM 0 HD22 LEU A 39 11.507 -3.612 1.264 1.00 1.26 H new ATOM 0 HD23 LEU A 39 12.145 -4.957 0.289 1.00 1.26 H new ATOM 610 N SER A 40 8.585 -8.166 1.911 1.00 1.36 N ATOM 611 CA SER A 40 7.864 -8.844 2.974 1.00 1.48 C ATOM 612 C SER A 40 8.772 -9.875 3.648 1.00 1.71 C ATOM 613 O SER A 40 8.518 -10.285 4.780 1.00 2.06 O ATOM 614 CB SER A 40 6.600 -9.520 2.438 1.00 1.40 C ATOM 615 OG SER A 40 5.652 -8.572 1.954 1.00 2.22 O ATOM 0 H SER A 40 8.189 -8.292 0.979 1.00 1.36 H new ATOM 0 HA SER A 40 7.561 -8.100 3.710 1.00 1.48 H new ATOM 0 HB2 SER A 40 6.869 -10.206 1.635 1.00 1.40 H new ATOM 0 HB3 SER A 40 6.145 -10.117 3.229 1.00 1.40 H new ATOM 0 HG SER A 40 5.966 -8.201 1.103 1.00 2.22 H new ATOM 621 N THR A 41 9.811 -10.264 2.924 1.00 1.68 N ATOM 622 CA THR A 41 10.759 -11.237 3.438 1.00 1.95 C ATOM 623 C THR A 41 12.193 -10.771 3.183 1.00 2.32 C ATOM 624 O THR A 41 13.100 -11.590 3.038 1.00 3.21 O ATOM 625 CB THR A 41 10.438 -12.591 2.804 1.00 1.94 C ATOM 626 OG1 THR A 41 11.200 -13.522 3.568 1.00 2.56 O ATOM 627 CG2 THR A 41 11.001 -12.722 1.388 1.00 2.23 C ATOM 0 H THR A 41 10.017 -9.923 1.985 1.00 1.68 H new ATOM 0 HA THR A 41 10.672 -11.340 4.520 1.00 1.95 H new ATOM 0 HB THR A 41 9.358 -12.733 2.780 1.00 1.94 H new ATOM 0 HG1 THR A 41 12.147 -13.272 3.538 1.00 2.56 H new ATOM 0 HG21 THR A 41 10.745 -13.701 0.984 1.00 2.23 H new ATOM 0 HG22 THR A 41 10.575 -11.945 0.754 1.00 2.23 H new ATOM 0 HG23 THR A 41 12.085 -12.613 1.416 1.00 2.23 H new ATOM 635 N GLY A 42 12.355 -9.456 3.133 1.00 1.84 N ATOM 636 CA GLY A 42 13.605 -8.873 2.679 1.00 2.34 C ATOM 637 C GLY A 42 14.771 -9.311 3.568 1.00 2.08 C ATOM 638 O GLY A 42 15.622 -10.090 3.143 1.00 3.22 O ATOM 0 H GLY A 42 11.641 -8.779 3.400 1.00 1.84 H new ATOM 0 HA2 GLY A 42 13.797 -9.172 1.649 1.00 2.34 H new ATOM 0 HA3 GLY A 42 13.527 -7.786 2.686 1.00 2.34 H new ATOM 642 N GLU A 43 14.772 -8.791 4.788 1.00 2.42 N ATOM 643 CA GLU A 43 15.952 -8.865 5.631 1.00 3.47 C ATOM 644 C GLU A 43 17.102 -8.075 5.005 1.00 3.69 C ATOM 645 O GLU A 43 17.539 -7.064 5.555 1.00 5.05 O ATOM 646 CB GLU A 43 16.357 -10.319 5.882 1.00 4.34 C ATOM 647 CG GLU A 43 15.207 -11.108 6.510 1.00 5.01 C ATOM 648 CD GLU A 43 14.905 -10.606 7.923 1.00 6.66 C ATOM 649 OE1 GLU A 43 15.630 -11.039 8.846 1.00 7.73 O ATOM 650 OE2 GLU A 43 13.957 -9.802 8.050 1.00 7.33 O ATOM 0 H GLU A 43 13.974 -8.317 5.211 1.00 2.42 H new ATOM 0 HA GLU A 43 15.714 -8.418 6.596 1.00 3.47 H new ATOM 0 HB2 GLU A 43 16.652 -10.785 4.942 1.00 4.34 H new ATOM 0 HB3 GLU A 43 17.226 -10.350 6.540 1.00 4.34 H new ATOM 0 HG2 GLU A 43 14.316 -11.015 5.889 1.00 5.01 H new ATOM 0 HG3 GLU A 43 15.463 -12.167 6.543 1.00 5.01 H new ATOM 657 N LYS A 44 17.561 -8.564 3.863 1.00 2.91 N ATOM 658 CA LYS A 44 18.560 -7.846 3.089 1.00 3.10 C ATOM 659 C LYS A 44 17.885 -6.706 2.325 1.00 2.31 C ATOM 660 O LYS A 44 18.561 -5.857 1.745 1.00 2.67 O ATOM 661 CB LYS A 44 19.337 -8.812 2.191 1.00 4.22 C ATOM 662 CG LYS A 44 18.471 -9.296 1.027 1.00 3.64 C ATOM 663 CD LYS A 44 18.670 -8.414 -0.208 1.00 3.35 C ATOM 664 CE LYS A 44 17.348 -7.785 -0.651 1.00 2.83 C ATOM 665 NZ LYS A 44 17.066 -8.115 -2.066 1.00 3.09 N ATOM 0 H LYS A 44 17.260 -9.449 3.455 1.00 2.91 H new ATOM 0 HA LYS A 44 19.300 -7.394 3.749 1.00 3.10 H new ATOM 0 HB2 LYS A 44 20.228 -8.318 1.805 1.00 4.22 H new ATOM 0 HB3 LYS A 44 19.675 -9.667 2.777 1.00 4.22 H new ATOM 0 HG2 LYS A 44 18.724 -10.328 0.786 1.00 3.64 H new ATOM 0 HG3 LYS A 44 17.421 -9.285 1.321 1.00 3.64 H new ATOM 0 HD2 LYS A 44 19.394 -7.630 0.014 1.00 3.35 H new ATOM 0 HD3 LYS A 44 19.084 -9.009 -1.022 1.00 3.35 H new ATOM 0 HE2 LYS A 44 16.537 -8.146 -0.019 1.00 2.83 H new ATOM 0 HE3 LYS A 44 17.393 -6.703 -0.526 1.00 2.83 H new ATOM 0 HZ1 LYS A 44 16.165 -7.680 -2.351 1.00 3.09 H new ATOM 0 HZ2 LYS A 44 17.832 -7.750 -2.667 1.00 3.09 H new ATOM 0 HZ3 LYS A 44 17.002 -9.147 -2.176 1.00 3.09 H new ATOM 679 N GLY A 45 16.560 -6.723 2.348 1.00 2.19 N ATOM 680 CA GLY A 45 15.788 -5.642 1.760 1.00 3.21 C ATOM 681 C GLY A 45 14.700 -5.158 2.722 1.00 3.05 C ATOM 682 O GLY A 45 13.708 -4.571 2.297 1.00 4.48 O ATOM 0 H GLY A 45 16.002 -7.468 2.765 1.00 2.19 H new ATOM 0 HA2 GLY A 45 16.450 -4.814 1.507 1.00 3.21 H new ATOM 0 HA3 GLY A 45 15.332 -5.981 0.830 1.00 3.21 H new ATOM 686 N PHE A 46 14.927 -5.423 4.000 1.00 1.90 N ATOM 687 CA PHE A 46 13.982 -5.017 5.026 1.00 2.02 C ATOM 688 C PHE A 46 12.544 -5.323 4.601 1.00 1.80 C ATOM 689 O PHE A 46 12.320 -5.963 3.575 1.00 1.66 O ATOM 690 CB PHE A 46 14.138 -3.505 5.205 1.00 2.19 C ATOM 691 CG PHE A 46 13.887 -2.699 3.929 1.00 2.08 C ATOM 692 CD1 PHE A 46 12.619 -2.357 3.578 1.00 3.02 C ATOM 693 CD2 PHE A 46 14.935 -2.324 3.145 1.00 2.10 C ATOM 694 CE1 PHE A 46 12.387 -1.608 2.394 1.00 3.36 C ATOM 695 CE2 PHE A 46 14.703 -1.576 1.961 1.00 2.36 C ATOM 696 CZ PHE A 46 13.434 -1.234 1.611 1.00 2.76 C ATOM 0 H PHE A 46 15.751 -5.913 4.348 1.00 1.90 H new ATOM 0 HA PHE A 46 14.182 -5.559 5.950 1.00 2.02 H new ATOM 0 HB2 PHE A 46 13.447 -3.168 5.978 1.00 2.19 H new ATOM 0 HB3 PHE A 46 15.145 -3.294 5.564 1.00 2.19 H new ATOM 0 HD1 PHE A 46 11.788 -2.655 4.200 1.00 3.02 H new ATOM 0 HD2 PHE A 46 15.942 -2.595 3.424 1.00 2.10 H new ATOM 0 HE1 PHE A 46 11.380 -1.336 2.116 1.00 3.36 H new ATOM 0 HE2 PHE A 46 15.534 -1.279 1.338 1.00 2.36 H new ATOM 0 HZ PHE A 46 13.258 -0.665 0.710 1.00 2.76 H new ATOM 706 N GLY A 47 11.608 -4.851 5.410 1.00 1.99 N ATOM 707 CA GLY A 47 10.199 -5.078 5.139 1.00 1.99 C ATOM 708 C GLY A 47 9.320 -4.382 6.180 1.00 2.01 C ATOM 709 O GLY A 47 9.070 -4.931 7.252 1.00 3.44 O ATOM 0 H GLY A 47 11.798 -4.312 6.255 1.00 1.99 H new ATOM 0 HA2 GLY A 47 9.952 -4.708 4.144 1.00 1.99 H new ATOM 0 HA3 GLY A 47 9.993 -6.148 5.141 1.00 1.99 H new ATOM 713 N TYR A 48 8.876 -3.184 5.828 1.00 1.10 N ATOM 714 CA TYR A 48 7.912 -2.472 6.650 1.00 1.35 C ATOM 715 C TYR A 48 8.078 -2.834 8.128 1.00 1.16 C ATOM 716 O TYR A 48 7.336 -3.662 8.655 1.00 2.08 O ATOM 717 CB TYR A 48 6.532 -2.934 6.176 1.00 1.76 C ATOM 718 CG TYR A 48 6.115 -2.356 4.823 1.00 2.78 C ATOM 719 CD1 TYR A 48 6.632 -2.883 3.657 1.00 3.47 C ATOM 720 CD2 TYR A 48 5.220 -1.307 4.767 1.00 4.04 C ATOM 721 CE1 TYR A 48 6.239 -2.340 2.383 1.00 4.67 C ATOM 722 CE2 TYR A 48 4.826 -0.762 3.493 1.00 5.21 C ATOM 723 CZ TYR A 48 5.355 -1.306 2.364 1.00 5.24 C ATOM 724 OH TYR A 48 4.983 -0.792 1.161 1.00 6.51 O ATOM 0 H TYR A 48 9.166 -2.689 4.985 1.00 1.10 H new ATOM 0 HA TYR A 48 8.048 -1.395 6.555 1.00 1.35 H new ATOM 0 HB2 TYR A 48 6.526 -4.022 6.112 1.00 1.76 H new ATOM 0 HB3 TYR A 48 5.790 -2.654 6.924 1.00 1.76 H new ATOM 0 HD1 TYR A 48 7.332 -3.704 3.700 1.00 3.47 H new ATOM 0 HD2 TYR A 48 4.815 -0.894 5.679 1.00 4.04 H new ATOM 0 HE1 TYR A 48 6.637 -2.744 1.464 1.00 4.67 H new ATOM 0 HE2 TYR A 48 4.127 0.059 3.436 1.00 5.21 H new ATOM 0 HH TYR A 48 4.056 -1.046 0.969 1.00 6.51 H new ATOM 734 N LYS A 49 9.055 -2.197 8.754 1.00 1.12 N ATOM 735 CA LYS A 49 9.310 -2.421 10.167 1.00 1.16 C ATOM 736 C LYS A 49 9.790 -1.116 10.807 1.00 1.46 C ATOM 737 O LYS A 49 10.991 -0.908 10.973 1.00 1.57 O ATOM 738 CB LYS A 49 10.276 -3.592 10.357 1.00 1.23 C ATOM 739 CG LYS A 49 10.580 -3.816 11.840 1.00 1.67 C ATOM 740 CD LYS A 49 9.833 -5.038 12.375 1.00 1.75 C ATOM 741 CE LYS A 49 8.373 -4.698 12.683 1.00 2.10 C ATOM 742 NZ LYS A 49 7.797 -5.688 13.620 1.00 2.59 N ATOM 0 H LYS A 49 9.680 -1.525 8.309 1.00 1.12 H new ATOM 0 HA LYS A 49 8.392 -2.709 10.680 1.00 1.16 H new ATOM 0 HB2 LYS A 49 9.845 -4.497 9.930 1.00 1.23 H new ATOM 0 HB3 LYS A 49 11.203 -3.395 9.818 1.00 1.23 H new ATOM 0 HG2 LYS A 49 11.653 -3.952 11.978 1.00 1.67 H new ATOM 0 HG3 LYS A 49 10.294 -2.932 12.411 1.00 1.67 H new ATOM 0 HD2 LYS A 49 9.875 -5.844 11.642 1.00 1.75 H new ATOM 0 HD3 LYS A 49 10.323 -5.402 13.278 1.00 1.75 H new ATOM 0 HE2 LYS A 49 8.309 -3.699 13.115 1.00 2.10 H new ATOM 0 HE3 LYS A 49 7.794 -4.683 11.759 1.00 2.10 H new ATOM 0 HZ1 LYS A 49 6.811 -5.433 13.832 1.00 2.59 H new ATOM 0 HZ2 LYS A 49 7.825 -6.633 13.187 1.00 2.59 H new ATOM 0 HZ3 LYS A 49 8.350 -5.695 14.501 1.00 2.59 H new ATOM 756 N GLY A 50 8.827 -0.273 11.149 1.00 1.87 N ATOM 757 CA GLY A 50 9.136 1.000 11.776 1.00 2.29 C ATOM 758 C GLY A 50 8.160 2.088 11.322 1.00 1.97 C ATOM 759 O GLY A 50 7.805 2.973 12.098 1.00 2.96 O ATOM 0 H GLY A 50 7.832 -0.447 11.004 1.00 1.87 H new ATOM 0 HA2 GLY A 50 9.091 0.896 12.860 1.00 2.29 H new ATOM 0 HA3 GLY A 50 10.155 1.294 11.526 1.00 2.29 H new ATOM 763 N SER A 51 7.755 1.984 10.064 1.00 1.49 N ATOM 764 CA SER A 51 6.840 2.957 9.491 1.00 2.04 C ATOM 765 C SER A 51 5.412 2.406 9.509 1.00 1.75 C ATOM 766 O SER A 51 5.186 1.271 9.925 1.00 2.61 O ATOM 767 CB SER A 51 7.248 3.323 8.062 1.00 3.44 C ATOM 768 OG SER A 51 7.010 2.256 7.149 1.00 4.34 O ATOM 0 H SER A 51 8.043 1.242 9.426 1.00 1.49 H new ATOM 0 HA SER A 51 6.882 3.863 10.096 1.00 2.04 H new ATOM 0 HB2 SER A 51 6.693 4.205 7.741 1.00 3.44 H new ATOM 0 HB3 SER A 51 8.305 3.587 8.043 1.00 3.44 H new ATOM 0 HG SER A 51 6.659 2.617 6.308 1.00 4.34 H new ATOM 774 N CYS A 52 4.486 3.237 9.054 1.00 1.82 N ATOM 775 CA CYS A 52 3.087 2.848 9.014 1.00 2.56 C ATOM 776 C CYS A 52 2.451 3.466 7.767 1.00 2.43 C ATOM 777 O CYS A 52 2.211 2.772 6.781 1.00 3.50 O ATOM 778 CB CYS A 52 2.350 3.255 10.292 1.00 3.60 C ATOM 779 SG CYS A 52 1.044 2.033 10.678 1.00 6.00 S ATOM 0 H CYS A 52 4.677 4.178 8.710 1.00 1.82 H new ATOM 0 HA CYS A 52 3.011 1.762 8.959 1.00 2.56 H new ATOM 0 HB2 CYS A 52 3.054 3.322 11.122 1.00 3.60 H new ATOM 0 HB3 CYS A 52 1.909 4.244 10.168 1.00 3.60 H new ATOM 0 HG CYS A 52 0.154 2.035 9.730 1.00 6.00 H new ATOM 785 N PHE A 53 2.197 4.763 7.853 1.00 1.70 N ATOM 786 CA PHE A 53 1.373 5.432 6.860 1.00 1.78 C ATOM 787 C PHE A 53 1.627 6.941 6.863 1.00 1.18 C ATOM 788 O PHE A 53 1.829 7.538 7.918 1.00 1.73 O ATOM 789 CB PHE A 53 -0.085 5.171 7.241 1.00 2.75 C ATOM 790 CG PHE A 53 -0.514 3.709 7.100 1.00 4.26 C ATOM 791 CD1 PHE A 53 -0.455 3.097 5.886 1.00 5.69 C ATOM 792 CD2 PHE A 53 -0.954 3.021 8.188 1.00 4.92 C ATOM 793 CE1 PHE A 53 -0.853 1.740 5.756 1.00 7.30 C ATOM 794 CE2 PHE A 53 -1.350 1.664 8.057 1.00 6.67 C ATOM 795 CZ PHE A 53 -1.292 1.052 6.844 1.00 7.65 C ATOM 0 H PHE A 53 2.547 5.369 8.595 1.00 1.70 H new ATOM 0 HA PHE A 53 1.608 5.054 5.865 1.00 1.78 H new ATOM 0 HB2 PHE A 53 -0.242 5.487 8.272 1.00 2.75 H new ATOM 0 HB3 PHE A 53 -0.729 5.790 6.616 1.00 2.75 H new ATOM 0 HD1 PHE A 53 -0.106 3.643 5.022 1.00 5.69 H new ATOM 0 HD2 PHE A 53 -1.002 3.507 9.151 1.00 4.92 H new ATOM 0 HE1 PHE A 53 -0.807 1.254 4.793 1.00 7.30 H new ATOM 0 HE2 PHE A 53 -1.698 1.117 8.921 1.00 6.67 H new ATOM 0 HZ PHE A 53 -1.594 0.020 6.745 1.00 7.65 H new ATOM 805 N HIS A 54 1.607 7.513 5.668 1.00 1.22 N ATOM 806 CA HIS A 54 1.791 8.947 5.523 1.00 1.35 C ATOM 807 C HIS A 54 0.428 9.643 5.529 1.00 1.19 C ATOM 808 O HIS A 54 0.205 10.572 6.303 1.00 1.84 O ATOM 809 CB HIS A 54 2.614 9.267 4.273 1.00 2.26 C ATOM 810 CG HIS A 54 3.512 8.139 3.825 1.00 1.94 C ATOM 811 ND1 HIS A 54 3.719 7.829 2.492 1.00 1.91 N ATOM 812 CD2 HIS A 54 4.256 7.251 4.546 1.00 2.93 C ATOM 813 CE1 HIS A 54 4.551 6.799 2.427 1.00 2.32 C ATOM 814 NE2 HIS A 54 4.882 6.442 3.700 1.00 3.34 N ATOM 0 H HIS A 54 1.466 7.010 4.792 1.00 1.22 H new ATOM 0 HA HIS A 54 2.360 9.331 6.370 1.00 1.35 H new ATOM 0 HB2 HIS A 54 1.936 9.523 3.459 1.00 2.26 H new ATOM 0 HB3 HIS A 54 3.225 10.149 4.468 1.00 2.26 H new ATOM 0 HD1 HIS A 54 3.302 8.311 1.695 1.00 1.91 H new ATOM 0 HD2 HIS A 54 4.324 7.213 5.623 1.00 2.93 H new ATOM 0 HE1 HIS A 54 4.905 6.325 1.523 1.00 2.32 H new ATOM 822 N ARG A 55 -0.448 9.165 4.657 1.00 0.93 N ATOM 823 CA ARG A 55 -1.774 9.747 4.534 1.00 0.98 C ATOM 824 C ARG A 55 -2.841 8.718 4.909 1.00 0.75 C ATOM 825 O ARG A 55 -2.845 7.603 4.389 1.00 0.98 O ATOM 826 CB ARG A 55 -2.028 10.240 3.108 1.00 1.44 C ATOM 827 CG ARG A 55 -0.962 11.250 2.677 1.00 1.56 C ATOM 828 CD ARG A 55 -1.081 11.569 1.186 1.00 1.87 C ATOM 829 NE ARG A 55 -2.320 12.337 0.929 1.00 1.66 N ATOM 830 CZ ARG A 55 -3.047 12.236 -0.192 1.00 3.37 C ATOM 831 NH1 ARG A 55 -3.050 11.092 -0.888 1.00 4.88 N ATOM 832 NH2 ARG A 55 -3.773 13.280 -0.615 1.00 4.35 N ATOM 0 H ARG A 55 -0.266 8.382 4.029 1.00 0.93 H new ATOM 0 HA ARG A 55 -1.829 10.596 5.215 1.00 0.98 H new ATOM 0 HB2 ARG A 55 -2.030 9.393 2.422 1.00 1.44 H new ATOM 0 HB3 ARG A 55 -3.014 10.700 3.049 1.00 1.44 H new ATOM 0 HG2 ARG A 55 -1.068 12.166 3.258 1.00 1.56 H new ATOM 0 HG3 ARG A 55 0.030 10.850 2.889 1.00 1.56 H new ATOM 0 HD2 ARG A 55 -0.214 12.142 0.858 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -1.090 10.645 0.608 1.00 1.87 H new ATOM 0 HE ARG A 55 -2.640 12.983 1.650 1.00 1.66 H new ATOM 0 HH11 ARG A 55 -2.499 10.297 -0.565 1.00 4.88 H new ATOM 0 HH12 ARG A 55 -3.604 11.016 -1.741 1.00 4.88 H new ATOM 0 HH21 ARG A 55 -3.772 14.151 -0.084 1.00 4.35 H new ATOM 0 HH22 ARG A 55 -4.327 13.204 -1.468 1.00 4.35 H new ATOM 846 N ILE A 56 -3.723 9.127 5.809 1.00 0.69 N ATOM 847 CA ILE A 56 -4.932 8.368 6.073 1.00 0.63 C ATOM 848 C ILE A 56 -6.145 9.295 5.969 1.00 0.66 C ATOM 849 O ILE A 56 -6.285 10.229 6.757 1.00 0.83 O ATOM 850 CB ILE A 56 -4.827 7.642 7.416 1.00 0.72 C ATOM 851 CG1 ILE A 56 -3.566 6.776 7.473 1.00 0.87 C ATOM 852 CG2 ILE A 56 -6.093 6.830 7.701 1.00 0.83 C ATOM 853 CD1 ILE A 56 -3.669 5.732 8.588 1.00 0.83 C ATOM 0 H ILE A 56 -3.623 9.976 6.365 1.00 0.69 H new ATOM 0 HA ILE A 56 -5.062 7.587 5.324 1.00 0.63 H new ATOM 0 HB ILE A 56 -4.740 8.391 8.204 1.00 0.72 H new ATOM 0 HG12 ILE A 56 -3.419 6.277 6.515 1.00 0.87 H new ATOM 0 HG13 ILE A 56 -2.694 7.408 7.640 1.00 0.87 H new ATOM 0 HG21 ILE A 56 -5.992 6.324 8.661 1.00 0.83 H new ATOM 0 HG22 ILE A 56 -6.954 7.497 7.731 1.00 0.83 H new ATOM 0 HG23 ILE A 56 -6.235 6.090 6.914 1.00 0.83 H new ATOM 0 HD11 ILE A 56 -2.761 5.130 8.607 1.00 0.83 H new ATOM 0 HD12 ILE A 56 -3.792 6.235 9.547 1.00 0.83 H new ATOM 0 HD13 ILE A 56 -4.528 5.087 8.404 1.00 0.83 H new ATOM 865 N ILE A 57 -6.989 9.005 4.991 1.00 0.62 N ATOM 866 CA ILE A 57 -8.173 9.816 4.758 1.00 0.66 C ATOM 867 C ILE A 57 -9.406 8.911 4.717 1.00 0.61 C ATOM 868 O ILE A 57 -9.390 7.862 4.076 1.00 0.61 O ATOM 869 CB ILE A 57 -7.997 10.672 3.502 1.00 0.76 C ATOM 870 CG1 ILE A 57 -7.199 11.941 3.811 1.00 1.02 C ATOM 871 CG2 ILE A 57 -9.349 10.987 2.860 1.00 0.65 C ATOM 872 CD1 ILE A 57 -6.751 12.633 2.522 1.00 1.14 C ATOM 0 H ILE A 57 -6.877 8.220 4.350 1.00 0.62 H new ATOM 0 HA ILE A 57 -8.320 10.519 5.578 1.00 0.66 H new ATOM 0 HB ILE A 57 -7.421 10.099 2.775 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -7.809 12.624 4.402 1.00 1.02 H new ATOM 0 HG13 ILE A 57 -6.327 11.689 4.415 1.00 1.02 H new ATOM 0 HG21 ILE A 57 -9.196 11.596 1.969 1.00 0.65 H new ATOM 0 HG22 ILE A 57 -9.845 10.057 2.582 1.00 0.65 H new ATOM 0 HG23 ILE A 57 -9.971 11.532 3.570 1.00 0.65 H new ATOM 0 HD11 ILE A 57 -6.186 13.532 2.769 1.00 1.14 H new ATOM 0 HD12 ILE A 57 -6.121 11.956 1.945 1.00 1.14 H new ATOM 0 HD13 ILE A 57 -7.626 12.905 1.932 1.00 1.14 H new ATOM 884 N PRO A 58 -10.473 9.363 5.430 1.00 0.64 N ATOM 885 CA PRO A 58 -11.697 8.585 5.516 1.00 0.67 C ATOM 886 C PRO A 58 -12.491 8.665 4.210 1.00 0.69 C ATOM 887 O PRO A 58 -12.846 9.754 3.761 1.00 0.81 O ATOM 888 CB PRO A 58 -12.448 9.165 6.704 1.00 0.79 C ATOM 889 CG PRO A 58 -11.842 10.537 6.951 1.00 0.82 C ATOM 890 CD PRO A 58 -10.542 10.620 6.169 1.00 0.72 C ATOM 0 HA PRO A 58 -11.510 7.521 5.660 1.00 0.67 H new ATOM 0 HB2 PRO A 58 -13.514 9.242 6.492 1.00 0.79 H new ATOM 0 HB3 PRO A 58 -12.342 8.528 7.582 1.00 0.79 H new ATOM 0 HG2 PRO A 58 -12.529 11.321 6.633 1.00 0.82 H new ATOM 0 HG3 PRO A 58 -11.658 10.687 8.015 1.00 0.82 H new ATOM 0 HD2 PRO A 58 -10.540 11.476 5.495 1.00 0.72 H new ATOM 0 HD3 PRO A 58 -9.686 10.736 6.834 1.00 0.72 H new ATOM 898 N GLY A 59 -12.747 7.498 3.638 1.00 0.66 N ATOM 899 CA GLY A 59 -13.562 7.415 2.438 1.00 0.72 C ATOM 900 C GLY A 59 -12.748 7.783 1.195 1.00 0.75 C ATOM 901 O GLY A 59 -13.198 8.571 0.365 1.00 0.93 O ATOM 0 H GLY A 59 -12.404 6.602 3.983 1.00 0.66 H new ATOM 0 HA2 GLY A 59 -13.958 6.405 2.332 1.00 0.72 H new ATOM 0 HA3 GLY A 59 -14.417 8.084 2.528 1.00 0.72 H new ATOM 905 N PHE A 60 -11.564 7.195 1.108 1.00 0.65 N ATOM 906 CA PHE A 60 -10.727 7.368 -0.068 1.00 0.69 C ATOM 907 C PHE A 60 -9.720 6.225 -0.197 1.00 0.65 C ATOM 908 O PHE A 60 -9.769 5.454 -1.154 1.00 0.75 O ATOM 909 CB PHE A 60 -9.968 8.683 0.114 1.00 0.72 C ATOM 910 CG PHE A 60 -9.006 9.009 -1.029 1.00 0.78 C ATOM 911 CD1 PHE A 60 -9.272 8.569 -2.288 1.00 1.48 C ATOM 912 CD2 PHE A 60 -7.885 9.741 -0.788 1.00 2.10 C ATOM 913 CE1 PHE A 60 -8.379 8.872 -3.350 1.00 1.49 C ATOM 914 CE2 PHE A 60 -6.991 10.044 -1.849 1.00 2.17 C ATOM 915 CZ PHE A 60 -7.258 9.603 -3.109 1.00 0.96 C ATOM 0 H PHE A 60 -11.164 6.598 1.832 1.00 0.65 H new ATOM 0 HA PHE A 60 -11.344 7.375 -0.967 1.00 0.69 H new ATOM 0 HB2 PHE A 60 -10.688 9.496 0.212 1.00 0.72 H new ATOM 0 HB3 PHE A 60 -9.406 8.640 1.047 1.00 0.72 H new ATOM 0 HD1 PHE A 60 -10.163 7.989 -2.480 1.00 1.48 H new ATOM 0 HD2 PHE A 60 -7.675 10.092 0.211 1.00 2.10 H new ATOM 0 HE1 PHE A 60 -8.590 8.522 -4.349 1.00 1.49 H new ATOM 0 HE2 PHE A 60 -6.100 10.624 -1.657 1.00 2.17 H new ATOM 0 HZ PHE A 60 -6.580 9.834 -3.917 1.00 0.96 H new ATOM 925 N MET A 61 -8.829 6.150 0.781 1.00 0.56 N ATOM 926 CA MET A 61 -7.817 5.107 0.794 1.00 0.53 C ATOM 927 C MET A 61 -6.930 5.218 2.036 1.00 0.56 C ATOM 928 O MET A 61 -7.170 6.059 2.900 1.00 0.52 O ATOM 929 CB MET A 61 -6.952 5.218 -0.464 1.00 0.63 C ATOM 930 CG MET A 61 -6.692 6.683 -0.821 1.00 1.16 C ATOM 931 SD MET A 61 -6.231 7.597 0.640 1.00 1.31 S ATOM 932 CE MET A 61 -4.548 8.022 0.222 1.00 1.35 C ATOM 0 H MET A 61 -8.787 6.795 1.570 1.00 0.56 H new ATOM 0 HA MET A 61 -8.320 4.140 0.815 1.00 0.53 H new ATOM 0 HB2 MET A 61 -6.004 4.705 -0.304 1.00 0.63 H new ATOM 0 HB3 MET A 61 -7.448 4.719 -1.297 1.00 0.63 H new ATOM 0 HG2 MET A 61 -5.899 6.749 -1.566 1.00 1.16 H new ATOM 0 HG3 MET A 61 -7.585 7.121 -1.267 1.00 1.16 H new ATOM 0 HE1 MET A 61 -4.030 8.375 1.114 1.00 1.35 H new ATOM 0 HE2 MET A 61 -4.037 7.142 -0.170 1.00 1.35 H new ATOM 0 HE3 MET A 61 -4.548 8.808 -0.533 1.00 1.35 H new ATOM 942 N CYS A 62 -5.924 4.359 2.083 1.00 0.78 N ATOM 943 CA CYS A 62 -4.852 4.514 3.052 1.00 1.04 C ATOM 944 C CYS A 62 -3.541 4.082 2.392 1.00 1.20 C ATOM 945 O CYS A 62 -3.458 2.996 1.821 1.00 1.26 O ATOM 946 CB CYS A 62 -5.130 3.729 4.336 1.00 1.30 C ATOM 947 SG CYS A 62 -3.645 3.734 5.406 1.00 3.25 S ATOM 0 H CYS A 62 -5.828 3.553 1.466 1.00 0.78 H new ATOM 0 HA CYS A 62 -4.780 5.559 3.352 1.00 1.04 H new ATOM 0 HB2 CYS A 62 -5.973 4.171 4.867 1.00 1.30 H new ATOM 0 HB3 CYS A 62 -5.409 2.704 4.092 1.00 1.30 H new ATOM 0 HG CYS A 62 -2.709 3.021 4.853 1.00 3.25 H new ATOM 953 N GLN A 63 -2.549 4.955 2.491 1.00 1.55 N ATOM 954 CA GLN A 63 -1.320 4.782 1.735 1.00 1.99 C ATOM 955 C GLN A 63 -0.109 4.873 2.664 1.00 1.94 C ATOM 956 O GLN A 63 -0.137 5.599 3.657 1.00 2.32 O ATOM 957 CB GLN A 63 -1.223 5.806 0.603 1.00 2.56 C ATOM 958 CG GLN A 63 -0.983 7.213 1.157 1.00 3.76 C ATOM 959 CD GLN A 63 0.506 7.562 1.138 1.00 4.84 C ATOM 960 OE1 GLN A 63 1.181 7.572 2.155 1.00 5.54 O ATOM 961 NE2 GLN A 63 0.981 7.849 -0.071 1.00 5.85 N ATOM 0 H GLN A 63 -2.571 5.785 3.084 1.00 1.55 H new ATOM 0 HA GLN A 63 -1.331 3.791 1.282 1.00 1.99 H new ATOM 0 HB2 GLN A 63 -0.411 5.533 -0.071 1.00 2.56 H new ATOM 0 HB3 GLN A 63 -2.142 5.794 0.017 1.00 2.56 H new ATOM 0 HG2 GLN A 63 -1.538 7.941 0.565 1.00 3.76 H new ATOM 0 HG3 GLN A 63 -1.362 7.276 2.177 1.00 3.76 H new ATOM 0 HE21 GLN A 63 0.362 7.822 -0.882 1.00 5.85 H new ATOM 0 HE22 GLN A 63 1.964 8.096 -0.187 1.00 5.85 H new ATOM 970 N GLY A 64 0.927 4.128 2.309 1.00 1.75 N ATOM 971 CA GLY A 64 2.157 4.137 3.085 1.00 1.95 C ATOM 972 C GLY A 64 3.208 3.219 2.455 1.00 2.09 C ATOM 973 O GLY A 64 2.869 2.299 1.713 1.00 2.81 O ATOM 0 H GLY A 64 0.941 3.514 1.495 1.00 1.75 H new ATOM 0 HA2 GLY A 64 2.546 5.153 3.146 1.00 1.95 H new ATOM 0 HA3 GLY A 64 1.950 3.813 4.105 1.00 1.95 H new ATOM 977 N GLY A 65 4.462 3.502 2.777 1.00 2.21 N ATOM 978 CA GLY A 65 5.567 2.745 2.215 1.00 2.69 C ATOM 979 C GLY A 65 6.897 3.169 2.842 1.00 2.22 C ATOM 980 O GLY A 65 7.660 2.329 3.316 1.00 3.32 O ATOM 0 H GLY A 65 4.737 4.245 3.420 1.00 2.21 H new ATOM 0 HA2 GLY A 65 5.405 1.680 2.382 1.00 2.69 H new ATOM 0 HA3 GLY A 65 5.605 2.896 1.136 1.00 2.69 H new ATOM 984 N ASP A 66 7.134 4.472 2.822 1.00 2.20 N ATOM 985 CA ASP A 66 8.412 5.006 3.260 1.00 2.27 C ATOM 986 C ASP A 66 8.884 4.239 4.497 1.00 1.68 C ATOM 987 O ASP A 66 8.139 4.095 5.465 1.00 2.14 O ATOM 988 CB ASP A 66 8.292 6.484 3.638 1.00 3.20 C ATOM 989 CG ASP A 66 8.127 7.442 2.456 1.00 4.26 C ATOM 990 OD1 ASP A 66 7.240 7.165 1.620 1.00 4.78 O ATOM 991 OD2 ASP A 66 8.893 8.429 2.415 1.00 5.24 O ATOM 0 H ASP A 66 6.463 5.174 2.509 1.00 2.20 H new ATOM 0 HA ASP A 66 9.120 4.900 2.438 1.00 2.27 H new ATOM 0 HB2 ASP A 66 7.439 6.605 4.306 1.00 3.20 H new ATOM 0 HB3 ASP A 66 9.180 6.773 4.200 1.00 3.20 H new ATOM 996 N PHE A 67 10.121 3.767 4.425 1.00 1.75 N ATOM 997 CA PHE A 67 10.660 2.919 5.475 1.00 2.19 C ATOM 998 C PHE A 67 11.779 3.634 6.235 1.00 2.65 C ATOM 999 O PHE A 67 12.209 3.173 7.291 1.00 3.93 O ATOM 1000 CB PHE A 67 11.234 1.676 4.795 1.00 2.69 C ATOM 1001 CG PHE A 67 12.068 0.789 5.722 1.00 3.48 C ATOM 1002 CD1 PHE A 67 11.528 0.314 6.876 1.00 4.54 C ATOM 1003 CD2 PHE A 67 13.349 0.475 5.391 1.00 4.08 C ATOM 1004 CE1 PHE A 67 12.302 -0.509 7.736 1.00 5.81 C ATOM 1005 CE2 PHE A 67 14.124 -0.348 6.251 1.00 5.30 C ATOM 1006 CZ PHE A 67 13.584 -0.823 7.406 1.00 6.03 C ATOM 0 H PHE A 67 10.764 3.956 3.656 1.00 1.75 H new ATOM 0 HA PHE A 67 9.876 2.666 6.189 1.00 2.19 H new ATOM 0 HB2 PHE A 67 10.413 1.086 4.386 1.00 2.69 H new ATOM 0 HB3 PHE A 67 11.853 1.988 3.954 1.00 2.69 H new ATOM 0 HD1 PHE A 67 10.510 0.563 7.138 1.00 4.54 H new ATOM 0 HD2 PHE A 67 13.777 0.852 4.474 1.00 4.08 H new ATOM 0 HE1 PHE A 67 11.873 -0.886 8.653 1.00 5.81 H new ATOM 0 HE2 PHE A 67 15.142 -0.597 5.988 1.00 5.30 H new ATOM 0 HZ PHE A 67 14.173 -1.449 8.060 1.00 6.03 H new ATOM 1016 N THR A 68 12.219 4.748 5.668 1.00 2.22 N ATOM 1017 CA THR A 68 13.408 5.420 6.162 1.00 2.90 C ATOM 1018 C THR A 68 13.135 6.912 6.357 1.00 2.77 C ATOM 1019 O THR A 68 12.879 7.359 7.474 1.00 3.65 O ATOM 1020 CB THR A 68 14.553 5.134 5.187 1.00 3.54 C ATOM 1021 OG1 THR A 68 13.932 5.164 3.905 1.00 3.54 O ATOM 1022 CG2 THR A 68 15.085 3.705 5.312 1.00 4.99 C ATOM 0 H THR A 68 11.773 5.202 4.871 1.00 2.22 H new ATOM 0 HA THR A 68 13.696 5.043 7.143 1.00 2.90 H new ATOM 0 HB THR A 68 15.365 5.839 5.363 1.00 3.54 H new ATOM 0 HG1 THR A 68 14.603 4.990 3.212 1.00 3.54 H new ATOM 0 HG21 THR A 68 15.895 3.555 4.599 1.00 4.99 H new ATOM 0 HG22 THR A 68 15.457 3.542 6.324 1.00 4.99 H new ATOM 0 HG23 THR A 68 14.282 2.998 5.103 1.00 4.99 H new ATOM 1030 N ARG A 69 13.198 7.643 5.254 1.00 2.32 N ATOM 1031 CA ARG A 69 13.262 9.092 5.318 1.00 2.78 C ATOM 1032 C ARG A 69 11.889 9.669 5.672 1.00 2.77 C ATOM 1033 O ARG A 69 11.798 10.684 6.361 1.00 3.76 O ATOM 1034 CB ARG A 69 13.727 9.683 3.985 1.00 3.18 C ATOM 1035 CG ARG A 69 15.150 9.231 3.651 1.00 3.95 C ATOM 1036 CD ARG A 69 16.161 9.840 4.625 1.00 4.98 C ATOM 1037 NE ARG A 69 17.519 9.789 4.041 1.00 5.77 N ATOM 1038 CZ ARG A 69 18.025 10.732 3.234 1.00 6.22 C ATOM 1039 NH1 ARG A 69 17.235 11.704 2.761 1.00 6.30 N ATOM 1040 NH2 ARG A 69 19.323 10.701 2.899 1.00 7.27 N ATOM 0 H ARG A 69 13.206 7.258 4.310 1.00 2.32 H new ATOM 0 HA ARG A 69 13.983 9.358 6.091 1.00 2.78 H new ATOM 0 HB2 ARG A 69 13.048 9.375 3.190 1.00 3.18 H new ATOM 0 HB3 ARG A 69 13.689 10.771 4.033 1.00 3.18 H new ATOM 0 HG2 ARG A 69 15.209 8.143 3.692 1.00 3.95 H new ATOM 0 HG3 ARG A 69 15.399 9.525 2.631 1.00 3.95 H new ATOM 0 HD2 ARG A 69 15.890 10.872 4.846 1.00 4.98 H new ATOM 0 HD3 ARG A 69 16.142 9.296 5.570 1.00 4.98 H new ATOM 0 HE ARG A 69 18.107 8.986 4.266 1.00 5.77 H new ATOM 0 HH11 ARG A 69 16.247 11.727 3.015 1.00 6.30 H new ATOM 0 HH12 ARG A 69 17.621 12.421 2.147 1.00 6.30 H new ATOM 0 HH21 ARG A 69 19.925 9.960 3.258 1.00 7.27 H new ATOM 0 HH22 ARG A 69 19.708 11.418 2.285 1.00 7.27 H new ATOM 1054 N HIS A 70 10.857 8.996 5.185 1.00 2.40 N ATOM 1055 CA HIS A 70 9.499 9.485 5.355 1.00 2.94 C ATOM 1056 C HIS A 70 9.365 10.864 4.705 1.00 3.27 C ATOM 1057 O HIS A 70 9.012 11.836 5.371 1.00 3.86 O ATOM 1058 CB HIS A 70 9.102 9.484 6.832 1.00 3.36 C ATOM 1059 CG HIS A 70 9.118 8.116 7.471 1.00 3.26 C ATOM 1060 ND1 HIS A 70 10.255 7.567 8.039 1.00 3.32 N ATOM 1061 CD2 HIS A 70 8.125 7.194 7.629 1.00 4.18 C ATOM 1062 CE1 HIS A 70 9.949 6.368 8.511 1.00 3.57 C ATOM 1063 NE2 HIS A 70 8.629 6.138 8.256 1.00 4.19 N ATOM 0 H HIS A 70 10.933 8.117 4.673 1.00 2.40 H new ATOM 0 HA HIS A 70 8.802 8.815 4.852 1.00 2.94 H new ATOM 0 HB2 HIS A 70 9.780 10.138 7.380 1.00 3.36 H new ATOM 0 HB3 HIS A 70 8.102 9.908 6.929 1.00 3.36 H new ATOM 0 HD1 HIS A 70 11.172 8.011 8.086 1.00 3.32 H new ATOM 0 HD2 HIS A 70 7.102 7.304 7.300 1.00 4.18 H new ATOM 0 HE1 HIS A 70 10.626 5.691 9.010 1.00 3.57 H new ATOM 1071 N ASN A 71 9.655 10.905 3.413 1.00 3.36 N ATOM 1072 CA ASN A 71 9.605 12.155 2.674 1.00 4.00 C ATOM 1073 C ASN A 71 8.817 11.946 1.380 1.00 4.13 C ATOM 1074 O ASN A 71 8.890 12.765 0.465 1.00 4.89 O ATOM 1075 CB ASN A 71 11.011 12.630 2.301 1.00 4.42 C ATOM 1076 CG ASN A 71 11.701 11.626 1.375 1.00 5.86 C ATOM 1077 OD1 ASN A 71 11.353 10.459 1.312 1.00 6.78 O ATOM 1078 ND2 ASN A 71 12.696 12.145 0.661 1.00 6.71 N ATOM 0 H ASN A 71 9.925 10.092 2.859 1.00 3.36 H new ATOM 0 HA ASN A 71 9.128 12.903 3.307 1.00 4.00 H new ATOM 0 HB2 ASN A 71 10.952 13.602 1.811 1.00 4.42 H new ATOM 0 HB3 ASN A 71 11.605 12.764 3.205 1.00 4.42 H new ATOM 0 HD21 ASN A 71 13.219 11.557 0.012 1.00 6.71 H new ATOM 0 HD22 ASN A 71 12.936 13.131 0.762 1.00 6.71 H new ATOM 1085 N GLY A 72 8.081 10.844 1.344 1.00 3.82 N ATOM 1086 CA GLY A 72 7.265 10.528 0.184 1.00 4.25 C ATOM 1087 C GLY A 72 7.887 9.393 -0.632 1.00 3.81 C ATOM 1088 O GLY A 72 7.225 8.799 -1.482 1.00 4.49 O ATOM 0 H GLY A 72 8.033 10.160 2.099 1.00 3.82 H new ATOM 0 HA2 GLY A 72 6.264 10.242 0.506 1.00 4.25 H new ATOM 0 HA3 GLY A 72 7.158 11.414 -0.442 1.00 4.25 H new ATOM 1092 N THR A 73 9.153 9.127 -0.346 1.00 3.11 N ATOM 1093 CA THR A 73 9.858 8.042 -1.008 1.00 3.25 C ATOM 1094 C THR A 73 10.618 7.197 0.016 1.00 2.93 C ATOM 1095 O THR A 73 10.141 6.142 0.432 1.00 3.88 O ATOM 1096 CB THR A 73 10.760 8.651 -2.083 1.00 3.78 C ATOM 1097 OG1 THR A 73 11.609 9.541 -1.362 1.00 4.37 O ATOM 1098 CG2 THR A 73 9.994 9.562 -3.043 1.00 3.27 C ATOM 0 H THR A 73 9.709 9.644 0.335 1.00 3.11 H new ATOM 0 HA THR A 73 9.163 7.358 -1.496 1.00 3.25 H new ATOM 0 HB THR A 73 11.241 7.852 -2.647 1.00 3.78 H new ATOM 0 HG1 THR A 73 12.228 9.978 -1.984 1.00 4.37 H new ATOM 0 HG21 THR A 73 10.681 9.968 -3.786 1.00 3.27 H new ATOM 0 HG22 THR A 73 9.215 8.989 -3.545 1.00 3.27 H new ATOM 0 HG23 THR A 73 9.540 10.380 -2.484 1.00 3.27 H new ATOM 1106 N GLY A 74 11.788 7.692 0.393 1.00 2.46 N ATOM 1107 CA GLY A 74 12.584 7.036 1.417 1.00 2.53 C ATOM 1108 C GLY A 74 12.938 5.606 1.003 1.00 3.01 C ATOM 1109 O GLY A 74 13.995 5.368 0.422 1.00 4.24 O ATOM 0 H GLY A 74 12.204 8.540 0.008 1.00 2.46 H new ATOM 0 HA2 GLY A 74 13.497 7.604 1.593 1.00 2.53 H new ATOM 0 HA3 GLY A 74 12.033 7.020 2.357 1.00 2.53 H new ATOM 1113 N GLY A 75 12.033 4.692 1.321 1.00 2.56 N ATOM 1114 CA GLY A 75 12.272 3.282 1.063 1.00 3.07 C ATOM 1115 C GLY A 75 12.309 2.996 -0.440 1.00 2.18 C ATOM 1116 O GLY A 75 11.266 2.950 -1.092 1.00 2.50 O ATOM 0 H GLY A 75 11.134 4.900 1.755 1.00 2.56 H new ATOM 0 HA2 GLY A 75 13.216 2.981 1.517 1.00 3.07 H new ATOM 0 HA3 GLY A 75 11.489 2.686 1.531 1.00 3.07 H new ATOM 1120 N LYS A 76 13.520 2.814 -0.946 1.00 2.14 N ATOM 1121 CA LYS A 76 13.703 2.520 -2.356 1.00 1.68 C ATOM 1122 C LYS A 76 13.394 1.043 -2.611 1.00 1.65 C ATOM 1123 O LYS A 76 13.511 0.217 -1.708 1.00 2.52 O ATOM 1124 CB LYS A 76 15.101 2.942 -2.814 1.00 2.30 C ATOM 1125 CG LYS A 76 15.357 4.418 -2.502 1.00 3.16 C ATOM 1126 CD LYS A 76 16.573 4.938 -3.272 1.00 4.30 C ATOM 1127 CE LYS A 76 16.852 6.403 -2.931 1.00 4.79 C ATOM 1128 NZ LYS A 76 17.709 7.023 -3.967 1.00 5.68 N ATOM 0 H LYS A 76 14.383 2.865 -0.405 1.00 2.14 H new ATOM 0 HA LYS A 76 13.005 3.101 -2.959 1.00 1.68 H new ATOM 0 HB2 LYS A 76 15.851 2.326 -2.318 1.00 2.30 H new ATOM 0 HB3 LYS A 76 15.204 2.770 -3.885 1.00 2.30 H new ATOM 0 HG2 LYS A 76 14.478 5.007 -2.763 1.00 3.16 H new ATOM 0 HG3 LYS A 76 15.519 4.544 -1.431 1.00 3.16 H new ATOM 0 HD2 LYS A 76 17.447 4.332 -3.031 1.00 4.30 H new ATOM 0 HD3 LYS A 76 16.400 4.837 -4.343 1.00 4.30 H new ATOM 0 HE2 LYS A 76 15.912 6.950 -2.853 1.00 4.79 H new ATOM 0 HE3 LYS A 76 17.341 6.469 -1.959 1.00 4.79 H new ATOM 0 HZ1 LYS A 76 18.291 7.769 -3.535 1.00 5.68 H new ATOM 0 HZ2 LYS A 76 18.328 6.299 -4.384 1.00 5.68 H new ATOM 0 HZ3 LYS A 76 17.111 7.437 -4.710 1.00 5.68 H new ATOM 1142 N SER A 77 13.005 0.757 -3.845 1.00 1.16 N ATOM 1143 CA SER A 77 12.707 -0.610 -4.237 1.00 1.14 C ATOM 1144 C SER A 77 14.005 -1.408 -4.380 1.00 1.18 C ATOM 1145 O SER A 77 15.087 -0.830 -4.467 1.00 1.61 O ATOM 1146 CB SER A 77 11.913 -0.647 -5.544 1.00 1.27 C ATOM 1147 OG SER A 77 12.739 -0.967 -6.661 1.00 2.13 O ATOM 0 H SER A 77 12.889 1.448 -4.586 1.00 1.16 H new ATOM 0 HA SER A 77 12.094 -1.064 -3.459 1.00 1.14 H new ATOM 0 HB2 SER A 77 11.113 -1.383 -5.462 1.00 1.27 H new ATOM 0 HB3 SER A 77 11.440 0.321 -5.708 1.00 1.27 H new ATOM 0 HG SER A 77 13.246 -0.173 -6.931 1.00 2.13 H new ATOM 1153 N ILE A 78 13.853 -2.725 -4.402 1.00 1.03 N ATOM 1154 CA ILE A 78 15.004 -3.611 -4.400 1.00 1.18 C ATOM 1155 C ILE A 78 15.733 -3.496 -5.740 1.00 1.17 C ATOM 1156 O ILE A 78 16.911 -3.836 -5.841 1.00 1.45 O ATOM 1157 CB ILE A 78 14.580 -5.038 -4.050 1.00 1.40 C ATOM 1158 CG1 ILE A 78 14.064 -5.777 -5.287 1.00 1.76 C ATOM 1159 CG2 ILE A 78 13.559 -5.044 -2.911 1.00 1.50 C ATOM 1160 CD1 ILE A 78 13.893 -7.270 -5.003 1.00 1.88 C ATOM 0 H ILE A 78 12.950 -3.199 -4.421 1.00 1.03 H new ATOM 0 HA ILE A 78 15.712 -3.315 -3.626 1.00 1.18 H new ATOM 0 HB ILE A 78 15.459 -5.577 -3.697 1.00 1.40 H new ATOM 0 HG12 ILE A 78 13.110 -5.351 -5.598 1.00 1.76 H new ATOM 0 HG13 ILE A 78 14.760 -5.638 -6.114 1.00 1.76 H new ATOM 0 HG21 ILE A 78 13.275 -6.071 -2.683 1.00 1.50 H new ATOM 0 HG22 ILE A 78 13.998 -4.584 -2.026 1.00 1.50 H new ATOM 0 HG23 ILE A 78 12.675 -4.481 -3.212 1.00 1.50 H new ATOM 0 HD11 ILE A 78 13.525 -7.771 -5.899 1.00 1.88 H new ATOM 0 HD12 ILE A 78 14.853 -7.698 -4.716 1.00 1.88 H new ATOM 0 HD13 ILE A 78 13.178 -7.406 -4.192 1.00 1.88 H new ATOM 1172 N TYR A 79 15.003 -3.016 -6.736 1.00 1.03 N ATOM 1173 CA TYR A 79 15.556 -2.878 -8.072 1.00 1.13 C ATOM 1174 C TYR A 79 16.054 -1.452 -8.316 1.00 1.24 C ATOM 1175 O TYR A 79 16.727 -1.187 -9.310 1.00 1.47 O ATOM 1176 CB TYR A 79 14.407 -3.177 -9.038 1.00 1.19 C ATOM 1177 CG TYR A 79 14.246 -4.661 -9.372 1.00 1.39 C ATOM 1178 CD1 TYR A 79 14.994 -5.227 -10.384 1.00 2.37 C ATOM 1179 CD2 TYR A 79 13.351 -5.435 -8.661 1.00 2.00 C ATOM 1180 CE1 TYR A 79 14.841 -6.623 -10.699 1.00 2.77 C ATOM 1181 CE2 TYR A 79 13.198 -6.832 -8.975 1.00 2.28 C ATOM 1182 CZ TYR A 79 13.951 -7.357 -9.979 1.00 2.25 C ATOM 1183 OH TYR A 79 13.807 -8.677 -10.276 1.00 2.76 O ATOM 0 H TYR A 79 14.032 -2.718 -6.644 1.00 1.03 H new ATOM 0 HA TYR A 79 16.402 -3.552 -8.208 1.00 1.13 H new ATOM 0 HB2 TYR A 79 13.477 -2.809 -8.605 1.00 1.19 H new ATOM 0 HB3 TYR A 79 14.569 -2.622 -9.962 1.00 1.19 H new ATOM 0 HD1 TYR A 79 15.695 -4.622 -10.940 1.00 2.37 H new ATOM 0 HD2 TYR A 79 12.765 -4.993 -7.869 1.00 2.00 H new ATOM 0 HE1 TYR A 79 15.420 -7.077 -11.489 1.00 2.77 H new ATOM 0 HE2 TYR A 79 12.502 -7.449 -8.426 1.00 2.28 H new ATOM 0 HH TYR A 79 13.494 -9.159 -9.482 1.00 2.76 H new ATOM 1193 N GLY A 80 15.702 -0.572 -7.390 1.00 1.23 N ATOM 1194 CA GLY A 80 16.113 0.818 -7.486 1.00 1.50 C ATOM 1195 C GLY A 80 15.035 1.749 -6.926 1.00 1.59 C ATOM 1196 O GLY A 80 14.037 1.287 -6.376 1.00 2.65 O ATOM 0 H GLY A 80 15.137 -0.795 -6.570 1.00 1.23 H new ATOM 0 HA2 GLY A 80 17.044 0.964 -6.939 1.00 1.50 H new ATOM 0 HA3 GLY A 80 16.312 1.071 -8.527 1.00 1.50 H new ATOM 1200 N GLU A 81 15.273 3.042 -7.087 1.00 1.57 N ATOM 1201 CA GLU A 81 14.322 4.041 -6.627 1.00 1.53 C ATOM 1202 C GLU A 81 13.002 3.906 -7.386 1.00 1.40 C ATOM 1203 O GLU A 81 11.931 4.123 -6.820 1.00 1.44 O ATOM 1204 CB GLU A 81 14.897 5.452 -6.771 1.00 1.71 C ATOM 1205 CG GLU A 81 14.108 6.453 -5.926 1.00 2.55 C ATOM 1206 CD GLU A 81 14.723 7.851 -6.016 1.00 2.81 C ATOM 1207 OE1 GLU A 81 15.745 8.067 -5.328 1.00 2.72 O ATOM 1208 OE2 GLU A 81 14.159 8.673 -6.770 1.00 3.90 O ATOM 0 H GLU A 81 16.110 3.422 -7.529 1.00 1.57 H new ATOM 0 HA GLU A 81 14.128 3.870 -5.568 1.00 1.53 H new ATOM 0 HB2 GLU A 81 15.943 5.456 -6.464 1.00 1.71 H new ATOM 0 HB3 GLU A 81 14.871 5.754 -7.818 1.00 1.71 H new ATOM 0 HG2 GLU A 81 13.073 6.485 -6.266 1.00 2.55 H new ATOM 0 HG3 GLU A 81 14.093 6.125 -4.887 1.00 2.55 H new ATOM 1215 N LYS A 82 13.120 3.549 -8.657 1.00 1.36 N ATOM 1216 CA LYS A 82 11.956 3.460 -9.521 1.00 1.35 C ATOM 1217 C LYS A 82 12.169 2.343 -10.545 1.00 1.39 C ATOM 1218 O LYS A 82 13.277 1.826 -10.683 1.00 1.50 O ATOM 1219 CB LYS A 82 11.651 4.821 -10.151 1.00 1.38 C ATOM 1220 CG LYS A 82 11.736 5.939 -9.110 1.00 1.86 C ATOM 1221 CD LYS A 82 11.459 7.302 -9.744 1.00 2.50 C ATOM 1222 CE LYS A 82 12.752 7.944 -10.252 1.00 3.01 C ATOM 1223 NZ LYS A 82 13.398 8.731 -9.177 1.00 3.75 N ATOM 0 H LYS A 82 14.005 3.318 -9.109 1.00 1.36 H new ATOM 0 HA LYS A 82 11.071 3.197 -8.941 1.00 1.35 H new ATOM 0 HB2 LYS A 82 12.355 5.018 -10.959 1.00 1.38 H new ATOM 0 HB3 LYS A 82 10.655 4.806 -10.593 1.00 1.38 H new ATOM 0 HG2 LYS A 82 11.017 5.753 -8.312 1.00 1.86 H new ATOM 0 HG3 LYS A 82 12.726 5.941 -8.654 1.00 1.86 H new ATOM 0 HD2 LYS A 82 10.757 7.187 -10.570 1.00 2.50 H new ATOM 0 HD3 LYS A 82 10.986 7.958 -9.013 1.00 2.50 H new ATOM 0 HE2 LYS A 82 13.434 7.171 -10.605 1.00 3.01 H new ATOM 0 HE3 LYS A 82 12.534 8.590 -11.103 1.00 3.01 H new ATOM 0 HZ1 LYS A 82 14.363 8.989 -9.468 1.00 3.75 H new ATOM 0 HZ2 LYS A 82 12.847 9.595 -9.000 1.00 3.75 H new ATOM 0 HZ3 LYS A 82 13.439 8.162 -8.307 1.00 3.75 H new ATOM 1237 N PHE A 83 11.091 2.004 -11.236 1.00 1.38 N ATOM 1238 CA PHE A 83 11.185 1.108 -12.376 1.00 1.62 C ATOM 1239 C PHE A 83 9.893 1.127 -13.196 1.00 1.40 C ATOM 1240 O PHE A 83 8.890 1.697 -12.768 1.00 1.21 O ATOM 1241 CB PHE A 83 11.403 -0.301 -11.822 1.00 1.91 C ATOM 1242 CG PHE A 83 10.220 -0.842 -11.016 1.00 1.41 C ATOM 1243 CD1 PHE A 83 10.090 -0.522 -9.701 1.00 2.51 C ATOM 1244 CD2 PHE A 83 9.298 -1.642 -11.615 1.00 2.09 C ATOM 1245 CE1 PHE A 83 8.992 -1.024 -8.953 1.00 2.84 C ATOM 1246 CE2 PHE A 83 8.200 -2.145 -10.867 1.00 1.88 C ATOM 1247 CZ PHE A 83 8.071 -1.825 -9.552 1.00 1.71 C ATOM 0 H PHE A 83 10.148 2.333 -11.029 1.00 1.38 H new ATOM 0 HA PHE A 83 12.002 1.419 -13.027 1.00 1.62 H new ATOM 0 HB2 PHE A 83 11.605 -0.979 -12.651 1.00 1.91 H new ATOM 0 HB3 PHE A 83 12.290 -0.298 -11.189 1.00 1.91 H new ATOM 0 HD1 PHE A 83 10.822 0.114 -9.225 1.00 2.51 H new ATOM 0 HD2 PHE A 83 9.400 -1.895 -12.660 1.00 2.09 H new ATOM 0 HE1 PHE A 83 8.889 -0.770 -7.909 1.00 2.84 H new ATOM 0 HE2 PHE A 83 7.468 -2.781 -11.343 1.00 1.88 H new ATOM 0 HZ PHE A 83 7.237 -2.207 -8.983 1.00 1.71 H new ATOM 1257 N GLU A 84 9.959 0.498 -14.360 1.00 1.51 N ATOM 1258 CA GLU A 84 8.881 0.601 -15.329 1.00 1.41 C ATOM 1259 C GLU A 84 7.603 -0.030 -14.771 1.00 1.21 C ATOM 1260 O GLU A 84 7.607 -0.574 -13.668 1.00 1.19 O ATOM 1261 CB GLU A 84 9.276 -0.044 -16.660 1.00 1.61 C ATOM 1262 CG GLU A 84 9.363 -1.566 -16.526 1.00 2.14 C ATOM 1263 CD GLU A 84 10.123 -2.175 -17.706 1.00 2.63 C ATOM 1264 OE1 GLU A 84 9.569 -2.128 -18.825 1.00 3.71 O ATOM 1265 OE2 GLU A 84 11.242 -2.677 -17.461 1.00 2.84 O ATOM 0 H GLU A 84 10.742 -0.085 -14.654 1.00 1.51 H new ATOM 0 HA GLU A 84 8.688 1.657 -15.518 1.00 1.41 H new ATOM 0 HB2 GLU A 84 8.545 0.216 -17.426 1.00 1.61 H new ATOM 0 HB3 GLU A 84 10.237 0.351 -16.989 1.00 1.61 H new ATOM 0 HG2 GLU A 84 9.864 -1.825 -15.593 1.00 2.14 H new ATOM 0 HG3 GLU A 84 8.360 -1.989 -16.477 1.00 2.14 H new ATOM 1272 N ASP A 85 6.543 0.062 -15.560 1.00 1.19 N ATOM 1273 CA ASP A 85 5.271 -0.525 -15.175 1.00 1.09 C ATOM 1274 C ASP A 85 5.000 -1.756 -16.042 1.00 1.16 C ATOM 1275 O ASP A 85 5.314 -1.765 -17.231 1.00 2.07 O ATOM 1276 CB ASP A 85 4.122 0.463 -15.385 1.00 1.10 C ATOM 1277 CG ASP A 85 4.331 1.841 -14.753 1.00 1.73 C ATOM 1278 OD1 ASP A 85 4.115 1.940 -13.525 1.00 2.47 O ATOM 1279 OD2 ASP A 85 4.701 2.762 -15.510 1.00 2.96 O ATOM 0 H ASP A 85 6.539 0.534 -16.464 1.00 1.19 H new ATOM 0 HA ASP A 85 5.328 -0.792 -14.120 1.00 1.09 H new ATOM 0 HB2 ASP A 85 3.964 0.591 -16.456 1.00 1.10 H new ATOM 0 HB3 ASP A 85 3.209 0.028 -14.978 1.00 1.10 H new ATOM 1284 N GLU A 86 4.419 -2.768 -15.413 1.00 0.82 N ATOM 1285 CA GLU A 86 4.126 -4.010 -16.105 1.00 0.85 C ATOM 1286 C GLU A 86 2.979 -3.807 -17.098 1.00 0.85 C ATOM 1287 O GLU A 86 3.184 -3.868 -18.309 1.00 1.01 O ATOM 1288 CB GLU A 86 3.798 -5.127 -15.112 1.00 0.94 C ATOM 1289 CG GLU A 86 5.077 -5.738 -14.534 1.00 2.03 C ATOM 1290 CD GLU A 86 5.760 -6.647 -15.558 1.00 2.98 C ATOM 1291 OE1 GLU A 86 5.125 -7.655 -15.936 1.00 3.71 O ATOM 1292 OE2 GLU A 86 6.904 -6.315 -15.938 1.00 3.97 O ATOM 0 H GLU A 86 4.144 -2.752 -14.431 1.00 0.82 H new ATOM 0 HA GLU A 86 5.014 -4.311 -16.661 1.00 0.85 H new ATOM 0 HB2 GLU A 86 3.182 -4.732 -14.304 1.00 0.94 H new ATOM 0 HB3 GLU A 86 3.213 -5.901 -15.609 1.00 0.94 H new ATOM 0 HG2 GLU A 86 5.761 -4.944 -14.234 1.00 2.03 H new ATOM 0 HG3 GLU A 86 4.839 -6.309 -13.637 1.00 2.03 H new ATOM 1299 N ASN A 87 1.797 -3.570 -16.548 1.00 0.74 N ATOM 1300 CA ASN A 87 0.614 -3.382 -17.370 1.00 0.73 C ATOM 1301 C ASN A 87 -0.531 -2.861 -16.497 1.00 0.64 C ATOM 1302 O ASN A 87 -0.359 -2.664 -15.295 1.00 0.74 O ATOM 1303 CB ASN A 87 0.164 -4.703 -17.998 1.00 0.84 C ATOM 1304 CG ASN A 87 -0.159 -5.740 -16.921 1.00 1.13 C ATOM 1305 OD1 ASN A 87 -1.197 -5.704 -16.279 1.00 2.43 O ATOM 1306 ND2 ASN A 87 0.782 -6.665 -16.758 1.00 1.12 N ATOM 0 H ASN A 87 1.633 -3.504 -15.543 1.00 0.74 H new ATOM 0 HA ASN A 87 0.862 -2.672 -18.159 1.00 0.73 H new ATOM 0 HB2 ASN A 87 -0.715 -4.533 -18.620 1.00 0.84 H new ATOM 0 HB3 ASN A 87 0.948 -5.085 -18.652 1.00 0.84 H new ATOM 0 HD21 ASN A 87 0.658 -7.401 -16.063 1.00 1.12 H new ATOM 0 HD22 ASN A 87 1.628 -6.638 -17.328 1.00 1.12 H new ATOM 1313 N PHE A 88 -1.672 -2.653 -17.137 1.00 0.69 N ATOM 1314 CA PHE A 88 -2.865 -2.238 -16.420 1.00 0.65 C ATOM 1315 C PHE A 88 -4.054 -3.137 -16.767 1.00 0.63 C ATOM 1316 O PHE A 88 -5.164 -2.651 -16.977 1.00 0.66 O ATOM 1317 CB PHE A 88 -3.178 -0.807 -16.862 1.00 0.70 C ATOM 1318 CG PHE A 88 -2.085 0.205 -16.511 1.00 0.77 C ATOM 1319 CD1 PHE A 88 -2.099 0.831 -15.304 1.00 1.76 C ATOM 1320 CD2 PHE A 88 -1.100 0.480 -17.407 1.00 1.78 C ATOM 1321 CE1 PHE A 88 -1.085 1.770 -14.979 1.00 1.86 C ATOM 1322 CE2 PHE A 88 -0.086 1.418 -17.082 1.00 1.80 C ATOM 1323 CZ PHE A 88 -0.100 2.044 -15.875 1.00 1.01 C ATOM 0 H PHE A 88 -1.795 -2.764 -18.143 1.00 0.69 H new ATOM 0 HA PHE A 88 -2.695 -2.304 -15.345 1.00 0.65 H new ATOM 0 HB2 PHE A 88 -3.336 -0.797 -17.940 1.00 0.70 H new ATOM 0 HB3 PHE A 88 -4.113 -0.491 -16.400 1.00 0.70 H new ATOM 0 HD1 PHE A 88 -2.882 0.614 -14.592 1.00 1.76 H new ATOM 0 HD2 PHE A 88 -1.089 -0.016 -18.366 1.00 1.78 H new ATOM 0 HE1 PHE A 88 -1.096 2.267 -14.020 1.00 1.86 H new ATOM 0 HE2 PHE A 88 0.697 1.635 -17.794 1.00 1.80 H new ATOM 0 HZ PHE A 88 0.671 2.759 -15.628 1.00 1.01 H new ATOM 1333 N ILE A 89 -3.780 -4.432 -16.818 1.00 0.63 N ATOM 1334 CA ILE A 89 -4.822 -5.408 -17.088 1.00 0.67 C ATOM 1335 C ILE A 89 -5.852 -5.373 -15.957 1.00 0.64 C ATOM 1336 O ILE A 89 -7.055 -5.442 -16.205 1.00 0.73 O ATOM 1337 CB ILE A 89 -4.214 -6.792 -17.321 1.00 0.75 C ATOM 1338 CG1 ILE A 89 -3.359 -6.808 -18.591 1.00 0.80 C ATOM 1339 CG2 ILE A 89 -5.298 -7.870 -17.347 1.00 0.82 C ATOM 1340 CD1 ILE A 89 -2.411 -8.009 -18.599 1.00 0.87 C ATOM 0 H ILE A 89 -2.851 -4.828 -16.677 1.00 0.63 H new ATOM 0 HA ILE A 89 -5.348 -5.157 -18.009 1.00 0.67 H new ATOM 0 HB ILE A 89 -3.554 -7.020 -16.484 1.00 0.75 H new ATOM 0 HG12 ILE A 89 -4.005 -6.844 -19.468 1.00 0.80 H new ATOM 0 HG13 ILE A 89 -2.783 -5.885 -18.657 1.00 0.80 H new ATOM 0 HG21 ILE A 89 -4.838 -8.844 -17.514 1.00 0.82 H new ATOM 0 HG22 ILE A 89 -5.827 -7.877 -16.394 1.00 0.82 H new ATOM 0 HG23 ILE A 89 -6.002 -7.658 -18.151 1.00 0.82 H new ATOM 0 HD11 ILE A 89 -1.815 -7.996 -19.512 1.00 0.87 H new ATOM 0 HD12 ILE A 89 -1.750 -7.957 -17.734 1.00 0.87 H new ATOM 0 HD13 ILE A 89 -2.991 -8.931 -18.557 1.00 0.87 H new ATOM 1352 N LEU A 90 -5.343 -5.265 -14.738 1.00 0.65 N ATOM 1353 CA LEU A 90 -6.204 -5.135 -13.576 1.00 0.61 C ATOM 1354 C LEU A 90 -6.832 -3.740 -13.563 1.00 0.61 C ATOM 1355 O LEU A 90 -6.336 -2.827 -14.223 1.00 0.77 O ATOM 1356 CB LEU A 90 -5.434 -5.474 -12.298 1.00 0.63 C ATOM 1357 CG LEU A 90 -5.131 -6.956 -12.071 1.00 0.88 C ATOM 1358 CD1 LEU A 90 -3.767 -7.142 -11.402 1.00 2.11 C ATOM 1359 CD2 LEU A 90 -6.254 -7.632 -11.280 1.00 2.67 C ATOM 0 H LEU A 90 -4.344 -5.265 -14.531 1.00 0.65 H new ATOM 0 HA LEU A 90 -7.023 -5.852 -13.628 1.00 0.61 H new ATOM 0 HB2 LEU A 90 -4.490 -4.928 -12.310 1.00 0.63 H new ATOM 0 HB3 LEU A 90 -6.004 -5.105 -11.445 1.00 0.63 H new ATOM 0 HG LEU A 90 -5.082 -7.446 -13.043 1.00 0.88 H new ATOM 0 HD11 LEU A 90 -3.577 -8.205 -11.252 1.00 2.11 H new ATOM 0 HD12 LEU A 90 -2.989 -6.720 -12.039 1.00 2.11 H new ATOM 0 HD13 LEU A 90 -3.762 -6.633 -10.438 1.00 2.11 H new ATOM 0 HD21 LEU A 90 -6.013 -8.685 -11.133 1.00 2.67 H new ATOM 0 HD22 LEU A 90 -6.360 -7.145 -10.311 1.00 2.67 H new ATOM 0 HD23 LEU A 90 -7.190 -7.548 -11.833 1.00 2.67 H new ATOM 1371 N LYS A 91 -7.912 -3.618 -12.806 1.00 0.57 N ATOM 1372 CA LYS A 91 -8.670 -2.379 -12.778 1.00 0.58 C ATOM 1373 C LYS A 91 -9.009 -2.026 -11.328 1.00 0.53 C ATOM 1374 O LYS A 91 -8.661 -2.765 -10.408 1.00 0.48 O ATOM 1375 CB LYS A 91 -9.895 -2.479 -13.690 1.00 0.69 C ATOM 1376 CG LYS A 91 -9.531 -2.142 -15.137 1.00 1.20 C ATOM 1377 CD LYS A 91 -10.740 -2.305 -16.059 1.00 1.27 C ATOM 1378 CE LYS A 91 -11.710 -1.133 -15.903 1.00 1.89 C ATOM 1379 NZ LYS A 91 -11.239 0.037 -16.678 1.00 3.26 N ATOM 0 H LYS A 91 -8.280 -4.357 -12.207 1.00 0.57 H new ATOM 0 HA LYS A 91 -8.073 -1.558 -13.175 1.00 0.58 H new ATOM 0 HB2 LYS A 91 -10.308 -3.486 -13.641 1.00 0.69 H new ATOM 0 HB3 LYS A 91 -10.671 -1.799 -13.339 1.00 0.69 H new ATOM 0 HG2 LYS A 91 -9.162 -1.118 -15.194 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -8.723 -2.792 -15.473 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -10.406 -2.370 -17.095 1.00 1.27 H new ATOM 0 HD3 LYS A 91 -11.253 -3.239 -15.830 1.00 1.27 H new ATOM 0 HE2 LYS A 91 -12.703 -1.427 -16.244 1.00 1.89 H new ATOM 0 HE3 LYS A 91 -11.801 -0.866 -14.850 1.00 1.89 H new ATOM 0 HZ1 LYS A 91 -11.958 0.788 -16.644 1.00 3.26 H new ATOM 0 HZ2 LYS A 91 -10.350 0.389 -16.269 1.00 3.26 H new ATOM 0 HZ3 LYS A 91 -11.078 -0.243 -17.666 1.00 3.26 H new ATOM 1393 N HIS A 92 -9.684 -0.897 -11.170 1.00 0.59 N ATOM 1394 CA HIS A 92 -10.179 -0.498 -9.863 1.00 0.54 C ATOM 1395 C HIS A 92 -11.639 -0.927 -9.715 1.00 0.55 C ATOM 1396 O HIS A 92 -12.550 -0.128 -9.927 1.00 0.61 O ATOM 1397 CB HIS A 92 -9.976 1.002 -9.640 1.00 0.53 C ATOM 1398 CG HIS A 92 -8.558 1.385 -9.289 1.00 0.70 C ATOM 1399 ND1 HIS A 92 -7.461 0.928 -9.999 1.00 1.11 N ATOM 1400 CD2 HIS A 92 -8.069 2.184 -8.298 1.00 2.28 C ATOM 1401 CE1 HIS A 92 -6.367 1.436 -9.450 1.00 0.71 C ATOM 1402 NE2 HIS A 92 -6.746 2.214 -8.396 1.00 1.90 N ATOM 0 H HIS A 92 -9.900 -0.246 -11.925 1.00 0.59 H new ATOM 0 HA HIS A 92 -9.608 -1.003 -9.084 1.00 0.54 H new ATOM 0 HB2 HIS A 92 -10.273 1.536 -10.542 1.00 0.53 H new ATOM 0 HB3 HIS A 92 -10.639 1.333 -8.841 1.00 0.53 H new ATOM 0 HD2 HIS A 92 -8.659 2.705 -7.558 1.00 2.28 H new ATOM 0 HE1 HIS A 92 -5.353 1.264 -9.780 1.00 0.71 H new ATOM 0 HE2 HIS A 92 -6.116 2.733 -7.784 1.00 1.90 H new ATOM 1410 N THR A 93 -11.818 -2.189 -9.352 1.00 0.59 N ATOM 1411 CA THR A 93 -13.151 -2.760 -9.262 1.00 0.67 C ATOM 1412 C THR A 93 -13.978 -2.022 -8.206 1.00 0.62 C ATOM 1413 O THR A 93 -15.200 -1.939 -8.317 1.00 0.74 O ATOM 1414 CB THR A 93 -13.006 -4.257 -8.983 1.00 0.78 C ATOM 1415 OG1 THR A 93 -11.952 -4.332 -8.027 1.00 0.81 O ATOM 1416 CG2 THR A 93 -12.470 -5.028 -10.190 1.00 0.85 C ATOM 0 H THR A 93 -11.062 -2.832 -9.117 1.00 0.59 H new ATOM 0 HA THR A 93 -13.696 -2.640 -10.198 1.00 0.67 H new ATOM 0 HB THR A 93 -13.973 -4.667 -8.691 1.00 0.78 H new ATOM 0 HG1 THR A 93 -11.793 -5.269 -7.788 1.00 0.81 H new ATOM 0 HG21 THR A 93 -12.386 -6.085 -9.938 1.00 0.85 H new ATOM 0 HG22 THR A 93 -13.153 -4.908 -11.031 1.00 0.85 H new ATOM 0 HG23 THR A 93 -11.488 -4.641 -10.462 1.00 0.85 H new ATOM 1424 N GLY A 94 -13.277 -1.507 -7.206 1.00 0.54 N ATOM 1425 CA GLY A 94 -13.928 -0.765 -6.140 1.00 0.51 C ATOM 1426 C GLY A 94 -13.153 -0.898 -4.828 1.00 0.43 C ATOM 1427 O GLY A 94 -11.937 -0.721 -4.801 1.00 0.40 O ATOM 0 H GLY A 94 -12.265 -1.589 -7.112 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -14.003 0.286 -6.417 1.00 0.51 H new ATOM 0 HA3 GLY A 94 -14.945 -1.133 -6.005 1.00 0.51 H new ATOM 1431 N PRO A 95 -13.910 -1.215 -3.743 1.00 0.51 N ATOM 1432 CA PRO A 95 -13.304 -1.397 -2.436 1.00 0.55 C ATOM 1433 C PRO A 95 -12.565 -2.734 -2.354 1.00 0.55 C ATOM 1434 O PRO A 95 -13.067 -3.754 -2.826 1.00 0.59 O ATOM 1435 CB PRO A 95 -14.456 -1.294 -1.450 1.00 0.73 C ATOM 1436 CG PRO A 95 -15.721 -1.522 -2.261 1.00 0.79 C ATOM 1437 CD PRO A 95 -15.357 -1.407 -3.733 1.00 0.66 C ATOM 0 HA PRO A 95 -12.543 -0.648 -2.219 1.00 0.55 H new ATOM 0 HB2 PRO A 95 -14.360 -2.037 -0.659 1.00 0.73 H new ATOM 0 HB3 PRO A 95 -14.472 -0.316 -0.969 1.00 0.73 H new ATOM 0 HG2 PRO A 95 -16.140 -2.505 -2.047 1.00 0.79 H new ATOM 0 HG3 PRO A 95 -16.482 -0.787 -1.997 1.00 0.79 H new ATOM 0 HD2 PRO A 95 -15.641 -2.304 -4.282 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -15.871 -0.569 -4.204 1.00 0.66 H new ATOM 1445 N GLY A 96 -11.386 -2.688 -1.753 1.00 0.56 N ATOM 1446 CA GLY A 96 -10.595 -3.892 -1.563 1.00 0.60 C ATOM 1447 C GLY A 96 -9.668 -4.133 -2.756 1.00 0.62 C ATOM 1448 O GLY A 96 -9.681 -5.211 -3.349 1.00 1.04 O ATOM 0 H GLY A 96 -10.959 -1.836 -1.391 1.00 0.56 H new ATOM 0 HA2 GLY A 96 -10.004 -3.803 -0.651 1.00 0.60 H new ATOM 0 HA3 GLY A 96 -11.256 -4.749 -1.433 1.00 0.60 H new ATOM 1452 N ILE A 97 -8.887 -3.111 -3.074 1.00 0.51 N ATOM 1453 CA ILE A 97 -7.979 -3.187 -4.206 1.00 0.50 C ATOM 1454 C ILE A 97 -6.613 -2.631 -3.797 1.00 0.51 C ATOM 1455 O ILE A 97 -6.522 -1.524 -3.270 1.00 0.57 O ATOM 1456 CB ILE A 97 -8.586 -2.491 -5.427 1.00 0.54 C ATOM 1457 CG1 ILE A 97 -9.569 -3.413 -6.150 1.00 0.82 C ATOM 1458 CG2 ILE A 97 -7.491 -1.973 -6.362 1.00 0.68 C ATOM 1459 CD1 ILE A 97 -8.830 -4.409 -7.045 1.00 1.13 C ATOM 0 H ILE A 97 -8.864 -2.226 -2.568 1.00 0.51 H new ATOM 0 HA ILE A 97 -7.825 -4.225 -4.502 1.00 0.50 H new ATOM 0 HB ILE A 97 -9.151 -1.625 -5.082 1.00 0.54 H new ATOM 0 HG12 ILE A 97 -10.171 -3.953 -5.419 1.00 0.82 H new ATOM 0 HG13 ILE A 97 -10.256 -2.818 -6.752 1.00 0.82 H new ATOM 0 HG21 ILE A 97 -7.948 -1.483 -7.221 1.00 0.68 H new ATOM 0 HG22 ILE A 97 -6.864 -1.259 -5.828 1.00 0.68 H new ATOM 0 HG23 ILE A 97 -6.879 -2.808 -6.704 1.00 0.68 H new ATOM 0 HD11 ILE A 97 -9.552 -5.052 -7.547 1.00 1.13 H new ATOM 0 HD12 ILE A 97 -8.248 -3.866 -7.790 1.00 1.13 H new ATOM 0 HD13 ILE A 97 -8.162 -5.019 -6.437 1.00 1.13 H new ATOM 1471 N LEU A 98 -5.586 -3.426 -4.056 1.00 0.53 N ATOM 1472 CA LEU A 98 -4.224 -3.007 -3.769 1.00 0.58 C ATOM 1473 C LEU A 98 -3.617 -2.370 -5.021 1.00 0.54 C ATOM 1474 O LEU A 98 -3.514 -3.015 -6.063 1.00 0.53 O ATOM 1475 CB LEU A 98 -3.408 -4.178 -3.217 1.00 0.66 C ATOM 1476 CG LEU A 98 -3.336 -4.285 -1.692 1.00 1.44 C ATOM 1477 CD1 LEU A 98 -2.452 -3.183 -1.107 1.00 1.05 C ATOM 1478 CD2 LEU A 98 -4.737 -4.285 -1.076 1.00 3.90 C ATOM 0 H LEU A 98 -5.669 -4.358 -4.462 1.00 0.53 H new ATOM 0 HA LEU A 98 -4.216 -2.247 -2.988 1.00 0.58 H new ATOM 0 HB2 LEU A 98 -3.829 -5.105 -3.607 1.00 0.66 H new ATOM 0 HB3 LEU A 98 -2.392 -4.102 -3.605 1.00 0.66 H new ATOM 0 HG LEU A 98 -2.873 -5.238 -1.437 1.00 1.44 H new ATOM 0 HD11 LEU A 98 -2.418 -3.282 -0.022 1.00 1.05 H new ATOM 0 HD12 LEU A 98 -1.444 -3.272 -1.512 1.00 1.05 H new ATOM 0 HD13 LEU A 98 -2.864 -2.208 -1.370 1.00 1.05 H new ATOM 0 HD21 LEU A 98 -4.658 -4.362 0.008 1.00 3.90 H new ATOM 0 HD22 LEU A 98 -5.249 -3.359 -1.338 1.00 3.90 H new ATOM 0 HD23 LEU A 98 -5.303 -5.134 -1.460 1.00 3.90 H new ATOM 1490 N SER A 99 -3.230 -1.111 -4.877 1.00 0.82 N ATOM 1491 CA SER A 99 -2.777 -0.332 -6.015 1.00 0.79 C ATOM 1492 C SER A 99 -1.535 0.478 -5.636 1.00 0.74 C ATOM 1493 O SER A 99 -1.283 0.716 -4.457 1.00 0.76 O ATOM 1494 CB SER A 99 -3.883 0.597 -6.522 1.00 0.77 C ATOM 1495 OG SER A 99 -4.241 1.578 -5.552 1.00 1.81 O ATOM 0 H SER A 99 -3.221 -0.611 -3.988 1.00 0.82 H new ATOM 0 HA SER A 99 -2.521 -1.021 -6.820 1.00 0.79 H new ATOM 0 HB2 SER A 99 -3.550 1.093 -7.434 1.00 0.77 H new ATOM 0 HB3 SER A 99 -4.762 0.007 -6.782 1.00 0.77 H new ATOM 0 HG SER A 99 -3.940 2.461 -5.853 1.00 1.81 H new ATOM 1501 N MET A 100 -0.794 0.878 -6.659 1.00 0.80 N ATOM 1502 CA MET A 100 0.483 1.537 -6.444 1.00 0.80 C ATOM 1503 C MET A 100 0.356 3.051 -6.627 1.00 0.76 C ATOM 1504 O MET A 100 -0.209 3.515 -7.615 1.00 1.03 O ATOM 1505 CB MET A 100 1.514 0.988 -7.433 1.00 0.97 C ATOM 1506 CG MET A 100 1.973 -0.413 -7.024 1.00 1.20 C ATOM 1507 SD MET A 100 3.351 -0.924 -8.037 1.00 1.77 S ATOM 1508 CE MET A 100 4.689 -0.125 -7.166 1.00 1.16 C ATOM 0 H MET A 100 -1.053 0.759 -7.638 1.00 0.80 H new ATOM 0 HA MET A 100 0.805 1.339 -5.422 1.00 0.80 H new ATOM 0 HB2 MET A 100 1.082 0.956 -8.433 1.00 0.97 H new ATOM 0 HB3 MET A 100 2.373 1.658 -7.478 1.00 0.97 H new ATOM 0 HG2 MET A 100 2.262 -0.418 -5.973 1.00 1.20 H new ATOM 0 HG3 MET A 100 1.150 -1.120 -7.131 1.00 1.20 H new ATOM 0 HE1 MET A 100 5.458 0.175 -7.877 1.00 1.16 H new ATOM 0 HE2 MET A 100 4.311 0.756 -6.647 1.00 1.16 H new ATOM 0 HE3 MET A 100 5.116 -0.818 -6.441 1.00 1.16 H new ATOM 1518 N ALA A 101 0.894 3.779 -5.659 1.00 0.80 N ATOM 1519 CA ALA A 101 0.985 5.224 -5.772 1.00 0.88 C ATOM 1520 C ALA A 101 2.210 5.588 -6.614 1.00 1.00 C ATOM 1521 O ALA A 101 3.268 4.978 -6.472 1.00 1.76 O ATOM 1522 CB ALA A 101 1.033 5.845 -4.374 1.00 0.95 C ATOM 0 H ALA A 101 1.271 3.394 -4.793 1.00 0.80 H new ATOM 0 HA ALA A 101 0.106 5.626 -6.276 1.00 0.88 H new ATOM 0 HB1 ALA A 101 1.101 6.929 -4.460 1.00 0.95 H new ATOM 0 HB2 ALA A 101 0.128 5.581 -3.827 1.00 0.95 H new ATOM 0 HB3 ALA A 101 1.904 5.468 -3.838 1.00 0.95 H new ATOM 1528 N ASN A 102 2.024 6.581 -7.471 1.00 0.94 N ATOM 1529 CA ASN A 102 3.065 6.962 -8.411 1.00 1.04 C ATOM 1530 C ASN A 102 2.910 8.443 -8.764 1.00 1.05 C ATOM 1531 O ASN A 102 1.802 8.974 -8.754 1.00 1.17 O ATOM 1532 CB ASN A 102 2.960 6.154 -9.706 1.00 1.18 C ATOM 1533 CG ASN A 102 2.322 4.787 -9.450 1.00 1.96 C ATOM 1534 OD1 ASN A 102 2.978 3.827 -9.078 1.00 3.28 O ATOM 1535 ND2 ASN A 102 1.010 4.754 -9.668 1.00 2.73 N ATOM 0 H ASN A 102 1.169 7.133 -7.534 1.00 0.94 H new ATOM 0 HA ASN A 102 4.030 6.769 -7.942 1.00 1.04 H new ATOM 0 HB2 ASN A 102 2.367 6.705 -10.435 1.00 1.18 H new ATOM 0 HB3 ASN A 102 3.952 6.021 -10.137 1.00 1.18 H new ATOM 0 HD21 ASN A 102 0.491 3.888 -9.524 1.00 2.73 H new ATOM 0 HD22 ASN A 102 0.523 5.595 -9.979 1.00 2.73 H new ATOM 1542 N ALA A 103 4.039 9.067 -9.068 1.00 1.06 N ATOM 1543 CA ALA A 103 4.045 10.481 -9.404 1.00 1.10 C ATOM 1544 C ALA A 103 4.265 10.642 -10.910 1.00 1.23 C ATOM 1545 O ALA A 103 4.621 11.723 -11.376 1.00 1.61 O ATOM 1546 CB ALA A 103 5.116 11.197 -8.578 1.00 1.15 C ATOM 0 H ALA A 103 4.955 8.620 -9.089 1.00 1.06 H new ATOM 0 HA ALA A 103 3.086 10.938 -9.161 1.00 1.10 H new ATOM 0 HB1 ALA A 103 5.121 12.258 -8.830 1.00 1.15 H new ATOM 0 HB2 ALA A 103 4.898 11.077 -7.517 1.00 1.15 H new ATOM 0 HB3 ALA A 103 6.093 10.767 -8.798 1.00 1.15 H new ATOM 1552 N GLY A 104 4.044 9.551 -11.627 1.00 1.05 N ATOM 1553 CA GLY A 104 4.211 9.559 -13.071 1.00 1.21 C ATOM 1554 C GLY A 104 4.400 8.138 -13.608 1.00 1.24 C ATOM 1555 O GLY A 104 4.394 7.175 -12.842 1.00 1.12 O ATOM 0 H GLY A 104 3.751 8.656 -11.236 1.00 1.05 H new ATOM 0 HA2 GLY A 104 3.339 10.016 -13.539 1.00 1.21 H new ATOM 0 HA3 GLY A 104 5.073 10.170 -13.338 1.00 1.21 H new ATOM 1559 N PRO A 105 4.567 8.050 -14.955 1.00 1.50 N ATOM 1560 CA PRO A 105 4.789 6.767 -15.599 1.00 1.60 C ATOM 1561 C PRO A 105 6.217 6.272 -15.356 1.00 1.51 C ATOM 1562 O PRO A 105 7.164 7.056 -15.387 1.00 1.59 O ATOM 1563 CB PRO A 105 4.487 7.007 -17.070 1.00 1.98 C ATOM 1564 CG PRO A 105 4.559 8.513 -17.269 1.00 2.09 C ATOM 1565 CD PRO A 105 4.548 9.166 -15.896 1.00 1.78 C ATOM 0 HA PRO A 105 4.151 5.979 -15.198 1.00 1.60 H new ATOM 0 HB2 PRO A 105 5.209 6.494 -17.706 1.00 1.98 H new ATOM 0 HB3 PRO A 105 3.501 6.625 -17.334 1.00 1.98 H new ATOM 0 HG2 PRO A 105 5.464 8.783 -17.813 1.00 2.09 H new ATOM 0 HG3 PRO A 105 3.714 8.860 -17.864 1.00 2.09 H new ATOM 0 HD2 PRO A 105 5.413 9.814 -15.759 1.00 1.78 H new ATOM 0 HD3 PRO A 105 3.661 9.785 -15.759 1.00 1.78 H new ATOM 1573 N ASN A 106 6.325 4.973 -15.117 1.00 1.45 N ATOM 1574 CA ASN A 106 7.626 4.354 -14.925 1.00 1.51 C ATOM 1575 C ASN A 106 8.366 5.071 -13.795 1.00 1.43 C ATOM 1576 O ASN A 106 9.592 5.161 -13.811 1.00 1.55 O ATOM 1577 CB ASN A 106 8.479 4.460 -16.191 1.00 1.81 C ATOM 1578 CG ASN A 106 7.717 3.935 -17.411 1.00 2.98 C ATOM 1579 OD1 ASN A 106 7.506 2.745 -17.578 1.00 3.56 O ATOM 1580 ND2 ASN A 106 7.320 4.887 -18.250 1.00 4.09 N ATOM 0 H ASN A 106 5.534 4.333 -15.052 1.00 1.45 H new ATOM 0 HA ASN A 106 7.467 3.303 -14.685 1.00 1.51 H new ATOM 0 HB2 ASN A 106 8.765 5.499 -16.356 1.00 1.81 H new ATOM 0 HB3 ASN A 106 9.401 3.893 -16.061 1.00 1.81 H new ATOM 0 HD21 ASN A 106 6.805 4.640 -19.095 1.00 4.09 H new ATOM 0 HD22 ASN A 106 7.531 5.865 -18.049 1.00 4.09 H new ATOM 1587 N THR A 107 7.589 5.564 -12.841 1.00 1.32 N ATOM 1588 CA THR A 107 8.156 6.271 -11.706 1.00 1.36 C ATOM 1589 C THR A 107 7.843 5.528 -10.405 1.00 1.32 C ATOM 1590 O THR A 107 8.259 5.951 -9.328 1.00 1.72 O ATOM 1591 CB THR A 107 7.625 7.706 -11.729 1.00 1.40 C ATOM 1592 OG1 THR A 107 8.563 8.409 -12.538 1.00 2.50 O ATOM 1593 CG2 THR A 107 7.725 8.389 -10.364 1.00 1.59 C ATOM 0 H THR A 107 6.572 5.487 -12.831 1.00 1.32 H new ATOM 0 HA THR A 107 9.244 6.311 -11.768 1.00 1.36 H new ATOM 0 HB THR A 107 6.586 7.704 -12.058 1.00 1.40 H new ATOM 0 HG1 THR A 107 8.295 9.349 -12.608 1.00 2.50 H new ATOM 0 HG21 THR A 107 7.335 9.404 -10.436 1.00 1.59 H new ATOM 0 HG22 THR A 107 7.143 7.828 -9.633 1.00 1.59 H new ATOM 0 HG23 THR A 107 8.768 8.422 -10.049 1.00 1.59 H new ATOM 1601 N ASN A 108 7.110 4.433 -10.548 1.00 1.39 N ATOM 1602 CA ASN A 108 6.604 3.715 -9.391 1.00 1.43 C ATOM 1603 C ASN A 108 7.773 3.062 -8.650 1.00 1.42 C ATOM 1604 O ASN A 108 8.811 2.780 -9.247 1.00 1.79 O ATOM 1605 CB ASN A 108 5.634 2.610 -9.810 1.00 1.70 C ATOM 1606 CG ASN A 108 6.369 1.477 -10.531 1.00 2.65 C ATOM 1607 OD1 ASN A 108 7.045 0.660 -9.928 1.00 3.66 O ATOM 1608 ND2 ASN A 108 6.201 1.476 -11.850 1.00 3.77 N ATOM 0 H ASN A 108 6.855 4.026 -11.448 1.00 1.39 H new ATOM 0 HA ASN A 108 6.084 4.429 -8.752 1.00 1.43 H new ATOM 0 HB2 ASN A 108 5.125 2.216 -8.931 1.00 1.70 H new ATOM 0 HB3 ASN A 108 4.866 3.024 -10.464 1.00 1.70 H new ATOM 0 HD21 ASN A 108 6.652 0.761 -12.421 1.00 3.77 H new ATOM 0 HD22 ASN A 108 5.621 2.190 -12.291 1.00 3.77 H new ATOM 1615 N GLY A 109 7.565 2.842 -7.360 1.00 1.43 N ATOM 1616 CA GLY A 109 8.574 2.193 -6.540 1.00 1.65 C ATOM 1617 C GLY A 109 7.936 1.192 -5.575 1.00 1.56 C ATOM 1618 O GLY A 109 8.164 -0.012 -5.683 1.00 2.60 O ATOM 0 H GLY A 109 6.713 3.101 -6.863 1.00 1.43 H new ATOM 0 HA2 GLY A 109 9.292 1.680 -7.179 1.00 1.65 H new ATOM 0 HA3 GLY A 109 9.128 2.944 -5.977 1.00 1.65 H new ATOM 1622 N SER A 110 7.148 1.726 -4.654 1.00 1.20 N ATOM 1623 CA SER A 110 6.389 0.889 -3.740 1.00 1.43 C ATOM 1624 C SER A 110 5.174 1.655 -3.215 1.00 1.54 C ATOM 1625 O SER A 110 4.201 1.856 -3.941 1.00 3.00 O ATOM 1626 CB SER A 110 7.262 0.415 -2.575 1.00 1.72 C ATOM 1627 OG SER A 110 7.703 1.499 -1.762 1.00 2.65 O ATOM 0 H SER A 110 7.018 2.729 -4.521 1.00 1.20 H new ATOM 0 HA SER A 110 6.047 0.009 -4.285 1.00 1.43 H new ATOM 0 HB2 SER A 110 6.699 -0.291 -1.964 1.00 1.72 H new ATOM 0 HB3 SER A 110 8.127 -0.121 -2.965 1.00 1.72 H new ATOM 0 HG SER A 110 8.255 1.155 -1.029 1.00 2.65 H new ATOM 1633 N GLN A 111 5.268 2.062 -1.958 1.00 1.13 N ATOM 1634 CA GLN A 111 4.193 2.812 -1.331 1.00 1.25 C ATOM 1635 C GLN A 111 2.870 2.548 -2.053 1.00 1.22 C ATOM 1636 O GLN A 111 2.449 3.342 -2.894 1.00 1.98 O ATOM 1637 CB GLN A 111 4.513 4.308 -1.302 1.00 1.45 C ATOM 1638 CG GLN A 111 5.273 4.731 -2.561 1.00 2.17 C ATOM 1639 CD GLN A 111 5.618 6.221 -2.518 1.00 3.03 C ATOM 1640 OE1 GLN A 111 4.822 7.058 -2.127 1.00 3.76 O ATOM 1641 NE2 GLN A 111 6.846 6.504 -2.943 1.00 3.91 N ATOM 0 H GLN A 111 6.073 1.886 -1.356 1.00 1.13 H new ATOM 0 HA GLN A 111 4.095 2.475 -0.299 1.00 1.25 H new ATOM 0 HB2 GLN A 111 3.588 4.880 -1.222 1.00 1.45 H new ATOM 0 HB3 GLN A 111 5.108 4.539 -0.419 1.00 1.45 H new ATOM 0 HG2 GLN A 111 6.187 4.145 -2.652 1.00 2.17 H new ATOM 0 HG3 GLN A 111 4.669 4.519 -3.443 1.00 2.17 H new ATOM 0 HE21 GLN A 111 7.462 5.754 -3.257 1.00 3.91 H new ATOM 0 HE22 GLN A 111 7.172 7.471 -2.955 1.00 3.91 H new ATOM 1650 N PHE A 112 2.253 1.432 -1.700 1.00 0.88 N ATOM 1651 CA PHE A 112 0.924 1.121 -2.199 1.00 0.77 C ATOM 1652 C PHE A 112 -0.148 1.888 -1.422 1.00 0.76 C ATOM 1653 O PHE A 112 0.144 2.498 -0.395 1.00 1.03 O ATOM 1654 CB PHE A 112 0.708 -0.380 -1.995 1.00 0.94 C ATOM 1655 CG PHE A 112 0.824 -0.833 -0.538 1.00 1.36 C ATOM 1656 CD1 PHE A 112 -0.192 -0.591 0.332 1.00 2.58 C ATOM 1657 CD2 PHE A 112 1.944 -1.477 -0.115 1.00 1.87 C ATOM 1658 CE1 PHE A 112 -0.084 -1.012 1.684 1.00 3.21 C ATOM 1659 CE2 PHE A 112 2.053 -1.897 1.238 1.00 2.31 C ATOM 1660 CZ PHE A 112 1.037 -1.656 2.109 1.00 2.68 C ATOM 0 H PHE A 112 2.648 0.731 -1.074 1.00 0.88 H new ATOM 0 HA PHE A 112 0.846 1.404 -3.249 1.00 0.77 H new ATOM 0 HB2 PHE A 112 -0.279 -0.649 -2.371 1.00 0.94 H new ATOM 0 HB3 PHE A 112 1.437 -0.926 -2.594 1.00 0.94 H new ATOM 0 HD1 PHE A 112 -1.081 -0.079 -0.005 1.00 2.58 H new ATOM 0 HD2 PHE A 112 2.751 -1.669 -0.807 1.00 1.87 H new ATOM 0 HE1 PHE A 112 -0.892 -0.821 2.375 1.00 3.21 H new ATOM 0 HE2 PHE A 112 2.943 -2.408 1.575 1.00 2.31 H new ATOM 0 HZ PHE A 112 1.120 -1.975 3.137 1.00 2.68 H new ATOM 1670 N PHE A 113 -1.365 1.832 -1.942 1.00 0.68 N ATOM 1671 CA PHE A 113 -2.508 2.378 -1.231 1.00 0.80 C ATOM 1672 C PHE A 113 -3.784 1.600 -1.563 1.00 0.77 C ATOM 1673 O PHE A 113 -4.039 1.287 -2.725 1.00 1.41 O ATOM 1674 CB PHE A 113 -2.674 3.827 -1.696 1.00 1.16 C ATOM 1675 CG PHE A 113 -3.208 3.966 -3.122 1.00 1.87 C ATOM 1676 CD1 PHE A 113 -2.373 3.791 -4.181 1.00 2.91 C ATOM 1677 CD2 PHE A 113 -4.518 4.264 -3.331 1.00 3.14 C ATOM 1678 CE1 PHE A 113 -2.869 3.921 -5.505 1.00 4.62 C ATOM 1679 CE2 PHE A 113 -5.014 4.393 -4.655 1.00 4.71 C ATOM 1680 CZ PHE A 113 -4.179 4.219 -5.715 1.00 5.31 C ATOM 0 H PHE A 113 -1.584 1.417 -2.847 1.00 0.68 H new ATOM 0 HA PHE A 113 -2.343 2.311 -0.156 1.00 0.80 H new ATOM 0 HB2 PHE A 113 -3.351 4.341 -1.014 1.00 1.16 H new ATOM 0 HB3 PHE A 113 -1.710 4.332 -1.629 1.00 1.16 H new ATOM 0 HD1 PHE A 113 -1.333 3.553 -4.015 1.00 2.91 H new ATOM 0 HD2 PHE A 113 -5.181 4.403 -2.490 1.00 3.14 H new ATOM 0 HE1 PHE A 113 -2.205 3.783 -6.346 1.00 4.62 H new ATOM 0 HE2 PHE A 113 -6.055 4.629 -4.821 1.00 4.71 H new ATOM 0 HZ PHE A 113 -4.556 4.317 -6.722 1.00 5.31 H new ATOM 1690 N ILE A 114 -4.551 1.312 -0.522 1.00 0.75 N ATOM 1691 CA ILE A 114 -5.711 0.449 -0.664 1.00 0.67 C ATOM 1692 C ILE A 114 -6.930 1.299 -1.029 1.00 0.65 C ATOM 1693 O ILE A 114 -7.260 2.252 -0.326 1.00 0.97 O ATOM 1694 CB ILE A 114 -5.907 -0.398 0.594 1.00 0.76 C ATOM 1695 CG1 ILE A 114 -4.608 -1.106 0.986 1.00 0.85 C ATOM 1696 CG2 ILE A 114 -7.065 -1.382 0.418 1.00 0.89 C ATOM 1697 CD1 ILE A 114 -4.212 -0.768 2.424 1.00 1.00 C ATOM 0 H ILE A 114 -4.392 1.661 0.423 1.00 0.75 H new ATOM 0 HA ILE A 114 -5.560 -0.261 -1.477 1.00 0.67 H new ATOM 0 HB ILE A 114 -6.172 0.267 1.416 1.00 0.76 H new ATOM 0 HG12 ILE A 114 -4.732 -2.184 0.883 1.00 0.85 H new ATOM 0 HG13 ILE A 114 -3.809 -0.810 0.306 1.00 0.85 H new ATOM 0 HG21 ILE A 114 -7.183 -1.972 1.327 1.00 0.89 H new ATOM 0 HG22 ILE A 114 -7.984 -0.830 0.222 1.00 0.89 H new ATOM 0 HG23 ILE A 114 -6.854 -2.046 -0.420 1.00 0.89 H new ATOM 0 HD11 ILE A 114 -3.286 -1.284 2.677 1.00 1.00 H new ATOM 0 HD12 ILE A 114 -4.065 0.308 2.518 1.00 1.00 H new ATOM 0 HD13 ILE A 114 -5.002 -1.087 3.104 1.00 1.00 H new ATOM 1709 N CYS A 115 -7.566 0.923 -2.129 1.00 0.58 N ATOM 1710 CA CYS A 115 -8.800 1.572 -2.539 1.00 0.61 C ATOM 1711 C CYS A 115 -9.963 0.902 -1.807 1.00 0.70 C ATOM 1712 O CYS A 115 -10.267 -0.265 -2.054 1.00 0.95 O ATOM 1713 CB CYS A 115 -8.981 1.531 -4.058 1.00 0.68 C ATOM 1714 SG CYS A 115 -7.503 2.221 -4.885 1.00 1.50 S ATOM 0 H CYS A 115 -7.250 0.177 -2.749 1.00 0.58 H new ATOM 0 HA CYS A 115 -8.765 2.628 -2.271 1.00 0.61 H new ATOM 0 HB2 CYS A 115 -9.144 0.504 -4.385 1.00 0.68 H new ATOM 0 HB3 CYS A 115 -9.866 2.101 -4.342 1.00 0.68 H new ATOM 0 HG CYS A 115 -6.940 3.098 -4.107 1.00 1.50 H new ATOM 1720 N THR A 116 -10.582 1.667 -0.920 1.00 0.62 N ATOM 1721 CA THR A 116 -11.687 1.152 -0.129 1.00 0.73 C ATOM 1722 C THR A 116 -13.012 1.747 -0.610 1.00 0.70 C ATOM 1723 O THR A 116 -13.965 1.852 0.159 1.00 0.87 O ATOM 1724 CB THR A 116 -11.389 1.444 1.344 1.00 0.89 C ATOM 1725 OG1 THR A 116 -9.972 1.588 1.389 1.00 1.27 O ATOM 1726 CG2 THR A 116 -11.671 0.241 2.248 1.00 1.54 C ATOM 0 H THR A 116 -10.339 2.640 -0.731 1.00 0.62 H new ATOM 0 HA THR A 116 -11.790 0.073 -0.248 1.00 0.73 H new ATOM 0 HB THR A 116 -11.986 2.294 1.674 1.00 0.89 H new ATOM 0 HG1 THR A 116 -9.692 1.781 2.308 1.00 1.27 H new ATOM 0 HG21 THR A 116 -11.443 0.501 3.282 1.00 1.54 H new ATOM 0 HG22 THR A 116 -12.722 -0.037 2.167 1.00 1.54 H new ATOM 0 HG23 THR A 116 -11.049 -0.599 1.940 1.00 1.54 H new ATOM 1734 N ALA A 117 -13.028 2.120 -1.882 1.00 0.57 N ATOM 1735 CA ALA A 117 -14.227 2.677 -2.483 1.00 0.58 C ATOM 1736 C ALA A 117 -14.006 2.850 -3.986 1.00 0.53 C ATOM 1737 O ALA A 117 -12.896 2.657 -4.480 1.00 0.54 O ATOM 1738 CB ALA A 117 -14.582 3.994 -1.790 1.00 0.76 C ATOM 0 H ALA A 117 -12.229 2.047 -2.512 1.00 0.57 H new ATOM 0 HA ALA A 117 -15.072 2.001 -2.350 1.00 0.58 H new ATOM 0 HB1 ALA A 117 -15.482 4.412 -2.241 1.00 0.76 H new ATOM 0 HB2 ALA A 117 -14.759 3.811 -0.730 1.00 0.76 H new ATOM 0 HB3 ALA A 117 -13.758 4.699 -1.904 1.00 0.76 H new ATOM 1744 N LYS A 118 -15.080 3.212 -4.673 1.00 0.62 N ATOM 1745 CA LYS A 118 -15.017 3.415 -6.110 1.00 0.71 C ATOM 1746 C LYS A 118 -13.993 4.508 -6.423 1.00 0.63 C ATOM 1747 O LYS A 118 -14.119 5.635 -5.947 1.00 1.09 O ATOM 1748 CB LYS A 118 -16.411 3.700 -6.673 1.00 1.01 C ATOM 1749 CG LYS A 118 -16.328 4.207 -8.114 1.00 1.64 C ATOM 1750 CD LYS A 118 -17.723 4.470 -8.685 1.00 2.31 C ATOM 1751 CE LYS A 118 -18.291 5.788 -8.157 1.00 4.26 C ATOM 1752 NZ LYS A 118 -17.666 6.937 -8.850 1.00 5.47 N ATOM 0 H LYS A 118 -15.999 3.370 -4.260 1.00 0.62 H new ATOM 0 HA LYS A 118 -14.677 2.507 -6.607 1.00 0.71 H new ATOM 0 HB2 LYS A 118 -17.014 2.793 -6.637 1.00 1.01 H new ATOM 0 HB3 LYS A 118 -16.913 4.441 -6.051 1.00 1.01 H new ATOM 0 HG2 LYS A 118 -15.739 5.124 -8.147 1.00 1.64 H new ATOM 0 HG3 LYS A 118 -15.811 3.473 -8.732 1.00 1.64 H new ATOM 0 HD2 LYS A 118 -17.675 4.501 -9.773 1.00 2.31 H new ATOM 0 HD3 LYS A 118 -18.390 3.650 -8.419 1.00 2.31 H new ATOM 0 HE2 LYS A 118 -19.371 5.810 -8.305 1.00 4.26 H new ATOM 0 HE3 LYS A 118 -18.114 5.863 -7.084 1.00 4.26 H new ATOM 0 HZ1 LYS A 118 -18.134 7.817 -8.554 1.00 5.47 H new ATOM 0 HZ2 LYS A 118 -16.656 6.982 -8.606 1.00 5.47 H new ATOM 0 HZ3 LYS A 118 -17.769 6.820 -9.878 1.00 5.47 H new ATOM 1766 N THR A 119 -13.002 4.136 -7.218 1.00 0.61 N ATOM 1767 CA THR A 119 -11.971 5.078 -7.621 1.00 0.55 C ATOM 1768 C THR A 119 -11.646 4.912 -9.107 1.00 0.54 C ATOM 1769 O THR A 119 -10.615 4.342 -9.461 1.00 0.61 O ATOM 1770 CB THR A 119 -10.760 4.871 -6.708 1.00 0.74 C ATOM 1771 OG1 THR A 119 -10.807 3.485 -6.377 1.00 1.10 O ATOM 1772 CG2 THR A 119 -10.915 5.580 -5.362 1.00 0.67 C ATOM 0 H THR A 119 -12.890 3.195 -7.595 1.00 0.61 H new ATOM 0 HA THR A 119 -12.311 6.108 -7.509 1.00 0.55 H new ATOM 0 HB THR A 119 -9.862 5.233 -7.209 1.00 0.74 H new ATOM 0 HG1 THR A 119 -11.447 3.344 -5.649 1.00 1.10 H new ATOM 0 HG21 THR A 119 -10.029 5.401 -4.753 1.00 0.67 H new ATOM 0 HG22 THR A 119 -11.032 6.651 -5.526 1.00 0.67 H new ATOM 0 HG23 THR A 119 -11.794 5.194 -4.846 1.00 0.67 H new ATOM 1780 N GLU A 120 -12.546 5.419 -9.937 1.00 0.56 N ATOM 1781 CA GLU A 120 -12.465 5.178 -11.367 1.00 0.63 C ATOM 1782 C GLU A 120 -11.451 6.128 -12.008 1.00 0.58 C ATOM 1783 O GLU A 120 -11.021 5.910 -13.139 1.00 0.67 O ATOM 1784 CB GLU A 120 -13.839 5.318 -12.026 1.00 0.89 C ATOM 1785 CG GLU A 120 -14.367 6.749 -11.896 1.00 1.91 C ATOM 1786 CD GLU A 120 -15.455 6.837 -10.825 1.00 2.85 C ATOM 1787 OE1 GLU A 120 -15.077 6.945 -9.638 1.00 4.00 O ATOM 1788 OE2 GLU A 120 -16.642 6.794 -11.216 1.00 3.27 O ATOM 0 H GLU A 120 -13.335 5.996 -9.646 1.00 0.56 H new ATOM 0 HA GLU A 120 -12.126 4.154 -11.524 1.00 0.63 H new ATOM 0 HB2 GLU A 120 -13.770 5.046 -13.079 1.00 0.89 H new ATOM 0 HB3 GLU A 120 -14.541 4.624 -11.563 1.00 0.89 H new ATOM 0 HG2 GLU A 120 -13.547 7.421 -11.643 1.00 1.91 H new ATOM 0 HG3 GLU A 120 -14.767 7.081 -12.854 1.00 1.91 H new ATOM 1795 N TRP A 121 -11.098 7.160 -11.256 1.00 0.59 N ATOM 1796 CA TRP A 121 -10.203 8.185 -11.766 1.00 0.67 C ATOM 1797 C TRP A 121 -8.769 7.772 -11.431 1.00 0.66 C ATOM 1798 O TRP A 121 -7.822 8.494 -11.739 1.00 0.82 O ATOM 1799 CB TRP A 121 -10.574 9.562 -11.210 1.00 0.73 C ATOM 1800 CG TRP A 121 -10.155 9.779 -9.755 1.00 0.66 C ATOM 1801 CD1 TRP A 121 -8.981 10.233 -9.294 1.00 0.68 C ATOM 1802 CD2 TRP A 121 -10.959 9.532 -8.583 1.00 0.64 C ATOM 1803 NE1 TRP A 121 -8.970 10.296 -7.915 1.00 0.66 N ATOM 1804 CE2 TRP A 121 -10.211 9.856 -7.469 1.00 0.63 C ATOM 1805 CE3 TRP A 121 -12.275 9.051 -8.467 1.00 0.68 C ATOM 1806 CZ2 TRP A 121 -10.693 9.735 -6.160 1.00 0.66 C ATOM 1807 CZ3 TRP A 121 -12.741 8.935 -7.152 1.00 0.72 C ATOM 1808 CH2 TRP A 121 -12.001 9.257 -6.020 1.00 0.70 C ATOM 0 H TRP A 121 -11.415 7.308 -10.298 1.00 0.59 H new ATOM 0 HA TRP A 121 -10.295 8.273 -12.849 1.00 0.67 H new ATOM 0 HB2 TRP A 121 -10.110 10.330 -11.829 1.00 0.73 H new ATOM 0 HB3 TRP A 121 -11.653 9.696 -11.291 1.00 0.73 H new ATOM 0 HD1 TRP A 121 -8.149 10.514 -9.922 1.00 0.68 H new ATOM 0 HE1 TRP A 121 -8.194 10.608 -7.331 1.00 0.66 H new ATOM 0 HE3 TRP A 121 -12.878 8.792 -9.324 1.00 0.68 H new ATOM 0 HZ2 TRP A 121 -10.088 9.996 -5.304 1.00 0.66 H new ATOM 0 HZ3 TRP A 121 -13.747 8.569 -7.007 1.00 0.72 H new ATOM 0 HH2 TRP A 121 -12.433 9.139 -5.037 1.00 0.70 H new ATOM 1819 N LEU A 122 -8.654 6.611 -10.802 1.00 0.57 N ATOM 1820 CA LEU A 122 -7.349 6.026 -10.543 1.00 0.63 C ATOM 1821 C LEU A 122 -7.258 4.664 -11.233 1.00 0.76 C ATOM 1822 O LEU A 122 -6.325 3.902 -10.990 1.00 1.10 O ATOM 1823 CB LEU A 122 -7.076 5.972 -9.038 1.00 0.59 C ATOM 1824 CG LEU A 122 -7.199 7.299 -8.286 1.00 0.57 C ATOM 1825 CD1 LEU A 122 -7.197 7.074 -6.773 1.00 0.65 C ATOM 1826 CD2 LEU A 122 -6.107 8.279 -8.721 1.00 0.67 C ATOM 0 H LEU A 122 -9.443 6.060 -10.464 1.00 0.57 H new ATOM 0 HA LEU A 122 -6.562 6.650 -10.965 1.00 0.63 H new ATOM 0 HB2 LEU A 122 -7.766 5.257 -8.589 1.00 0.59 H new ATOM 0 HB3 LEU A 122 -6.070 5.582 -8.885 1.00 0.59 H new ATOM 0 HG LEU A 122 -8.158 7.750 -8.543 1.00 0.57 H new ATOM 0 HD11 LEU A 122 -7.285 8.033 -6.262 1.00 0.65 H new ATOM 0 HD12 LEU A 122 -8.038 6.438 -6.499 1.00 0.65 H new ATOM 0 HD13 LEU A 122 -6.266 6.591 -6.478 1.00 0.65 H new ATOM 0 HD21 LEU A 122 -6.217 9.214 -8.172 1.00 0.67 H new ATOM 0 HD22 LEU A 122 -5.128 7.849 -8.512 1.00 0.67 H new ATOM 0 HD23 LEU A 122 -6.197 8.473 -9.790 1.00 0.67 H new ATOM 1838 N ASP A 123 -8.241 4.400 -12.082 1.00 0.61 N ATOM 1839 CA ASP A 123 -8.342 3.105 -12.732 1.00 0.72 C ATOM 1840 C ASP A 123 -7.290 3.011 -13.839 1.00 0.95 C ATOM 1841 O ASP A 123 -6.523 2.051 -13.892 1.00 2.18 O ATOM 1842 CB ASP A 123 -9.719 2.913 -13.370 1.00 0.69 C ATOM 1843 CG ASP A 123 -9.904 1.595 -14.124 1.00 0.80 C ATOM 1844 OD1 ASP A 123 -10.305 0.614 -13.461 1.00 2.04 O ATOM 1845 OD2 ASP A 123 -9.641 1.598 -15.346 1.00 1.84 O ATOM 0 H ASP A 123 -8.975 5.062 -12.335 1.00 0.61 H new ATOM 0 HA ASP A 123 -8.186 2.336 -11.976 1.00 0.72 H new ATOM 0 HB2 ASP A 123 -10.477 2.977 -12.589 1.00 0.69 H new ATOM 0 HB3 ASP A 123 -9.902 3.737 -14.059 1.00 0.69 H new ATOM 1850 N GLY A 124 -7.287 4.022 -14.696 1.00 1.28 N ATOM 1851 CA GLY A 124 -6.394 4.029 -15.842 1.00 1.36 C ATOM 1852 C GLY A 124 -5.209 4.969 -15.608 1.00 1.44 C ATOM 1853 O GLY A 124 -5.004 5.915 -16.367 1.00 2.18 O ATOM 0 H GLY A 124 -7.889 4.842 -14.619 1.00 1.28 H new ATOM 0 HA2 GLY A 124 -6.030 3.019 -16.030 1.00 1.36 H new ATOM 0 HA3 GLY A 124 -6.941 4.342 -16.732 1.00 1.36 H new ATOM 1857 N LYS A 125 -4.463 4.676 -14.553 1.00 1.01 N ATOM 1858 CA LYS A 125 -3.371 5.545 -14.146 1.00 1.04 C ATOM 1859 C LYS A 125 -2.440 4.778 -13.204 1.00 0.96 C ATOM 1860 O LYS A 125 -1.227 4.760 -13.404 1.00 1.16 O ATOM 1861 CB LYS A 125 -3.915 6.845 -13.550 1.00 1.11 C ATOM 1862 CG LYS A 125 -2.776 7.786 -13.153 1.00 2.11 C ATOM 1863 CD LYS A 125 -3.318 9.072 -12.527 1.00 3.18 C ATOM 1864 CE LYS A 125 -2.188 10.062 -12.241 1.00 4.14 C ATOM 1865 NZ LYS A 125 -1.223 9.484 -11.278 1.00 5.41 N ATOM 0 H LYS A 125 -4.593 3.850 -13.968 1.00 1.01 H new ATOM 0 HA LYS A 125 -2.777 5.842 -15.010 1.00 1.04 H new ATOM 0 HB2 LYS A 125 -4.563 7.338 -14.275 1.00 1.11 H new ATOM 0 HB3 LYS A 125 -4.527 6.620 -12.676 1.00 1.11 H new ATOM 0 HG2 LYS A 125 -2.115 7.284 -12.446 1.00 2.11 H new ATOM 0 HG3 LYS A 125 -2.178 8.029 -14.031 1.00 2.11 H new ATOM 0 HD2 LYS A 125 -4.045 9.529 -13.198 1.00 3.18 H new ATOM 0 HD3 LYS A 125 -3.843 8.837 -11.601 1.00 3.18 H new ATOM 0 HE2 LYS A 125 -1.676 10.317 -13.169 1.00 4.14 H new ATOM 0 HE3 LYS A 125 -2.601 10.988 -11.840 1.00 4.14 H new ATOM 0 HZ1 LYS A 125 -0.695 10.250 -10.813 1.00 5.41 H new ATOM 0 HZ2 LYS A 125 -1.736 8.933 -10.561 1.00 5.41 H new ATOM 0 HZ3 LYS A 125 -0.559 8.863 -11.783 1.00 5.41 H new ATOM 1879 N HIS A 126 -3.045 4.165 -12.196 1.00 0.80 N ATOM 1880 CA HIS A 126 -2.278 3.500 -11.157 1.00 0.78 C ATOM 1881 C HIS A 126 -2.303 1.987 -11.391 1.00 0.84 C ATOM 1882 O HIS A 126 -3.254 1.460 -11.965 1.00 1.62 O ATOM 1883 CB HIS A 126 -2.785 3.893 -9.769 1.00 0.80 C ATOM 1884 CG HIS A 126 -2.575 5.350 -9.429 1.00 0.87 C ATOM 1885 ND1 HIS A 126 -1.533 5.790 -8.633 1.00 1.26 N ATOM 1886 CD2 HIS A 126 -3.284 6.460 -9.785 1.00 2.04 C ATOM 1887 CE1 HIS A 126 -1.620 7.107 -8.521 1.00 0.93 C ATOM 1888 NE2 HIS A 126 -2.706 7.520 -9.235 1.00 1.66 N ATOM 0 H HIS A 126 -4.057 4.115 -12.077 1.00 0.80 H new ATOM 0 HA HIS A 126 -1.238 3.824 -11.204 1.00 0.78 H new ATOM 0 HB2 HIS A 126 -3.849 3.665 -9.704 1.00 0.80 H new ATOM 0 HB3 HIS A 126 -2.281 3.280 -9.022 1.00 0.80 H new ATOM 0 HD1 HIS A 126 -0.819 5.201 -8.205 1.00 1.26 H new ATOM 0 HD2 HIS A 126 -4.166 6.473 -10.408 1.00 2.04 H new ATOM 0 HE1 HIS A 126 -0.949 7.742 -7.962 1.00 0.93 H new ATOM 1896 N VAL A 127 -1.246 1.333 -10.934 1.00 0.76 N ATOM 1897 CA VAL A 127 -1.085 -0.091 -11.177 1.00 0.70 C ATOM 1898 C VAL A 127 -1.727 -0.875 -10.031 1.00 0.71 C ATOM 1899 O VAL A 127 -1.424 -0.635 -8.863 1.00 1.04 O ATOM 1900 CB VAL A 127 0.396 -0.424 -11.373 1.00 0.77 C ATOM 1901 CG1 VAL A 127 0.607 -1.935 -11.492 1.00 0.80 C ATOM 1902 CG2 VAL A 127 0.966 0.307 -12.591 1.00 0.87 C ATOM 0 H VAL A 127 -0.493 1.762 -10.397 1.00 0.76 H new ATOM 0 HA VAL A 127 -1.594 -0.382 -12.096 1.00 0.70 H new ATOM 0 HB VAL A 127 0.937 -0.079 -10.492 1.00 0.77 H new ATOM 0 HG11 VAL A 127 1.668 -2.144 -11.631 1.00 0.80 H new ATOM 0 HG12 VAL A 127 0.256 -2.424 -10.583 1.00 0.80 H new ATOM 0 HG13 VAL A 127 0.048 -2.314 -12.347 1.00 0.80 H new ATOM 0 HG21 VAL A 127 2.020 0.053 -12.708 1.00 0.87 H new ATOM 0 HG22 VAL A 127 0.419 0.006 -13.485 1.00 0.87 H new ATOM 0 HG23 VAL A 127 0.866 1.383 -12.449 1.00 0.87 H new ATOM 1912 N VAL A 128 -2.601 -1.797 -10.405 1.00 0.52 N ATOM 1913 CA VAL A 128 -3.181 -2.716 -9.440 1.00 0.50 C ATOM 1914 C VAL A 128 -2.366 -4.011 -9.422 1.00 0.68 C ATOM 1915 O VAL A 128 -2.017 -4.543 -10.474 1.00 0.99 O ATOM 1916 CB VAL A 128 -4.660 -2.943 -9.755 1.00 0.49 C ATOM 1917 CG1 VAL A 128 -5.279 -3.953 -8.787 1.00 0.70 C ATOM 1918 CG2 VAL A 128 -5.434 -1.624 -9.741 1.00 0.46 C ATOM 0 H VAL A 128 -2.922 -1.928 -11.364 1.00 0.52 H new ATOM 0 HA VAL A 128 -3.139 -2.292 -8.437 1.00 0.50 H new ATOM 0 HB VAL A 128 -4.727 -3.359 -10.760 1.00 0.49 H new ATOM 0 HG11 VAL A 128 -6.331 -4.096 -9.034 1.00 0.70 H new ATOM 0 HG12 VAL A 128 -4.755 -4.905 -8.870 1.00 0.70 H new ATOM 0 HG13 VAL A 128 -5.193 -3.579 -7.767 1.00 0.70 H new ATOM 0 HG21 VAL A 128 -6.483 -1.815 -9.968 1.00 0.46 H new ATOM 0 HG22 VAL A 128 -5.354 -1.166 -8.755 1.00 0.46 H new ATOM 0 HG23 VAL A 128 -5.018 -0.950 -10.490 1.00 0.46 H new ATOM 1928 N PHE A 129 -2.087 -4.480 -8.214 1.00 0.70 N ATOM 1929 CA PHE A 129 -1.204 -5.620 -8.040 1.00 0.92 C ATOM 1930 C PHE A 129 -1.646 -6.481 -6.855 1.00 0.82 C ATOM 1931 O PHE A 129 -0.818 -7.107 -6.195 1.00 1.15 O ATOM 1932 CB PHE A 129 0.194 -5.064 -7.758 1.00 1.27 C ATOM 1933 CG PHE A 129 0.372 -4.518 -6.340 1.00 1.98 C ATOM 1934 CD1 PHE A 129 -0.183 -3.323 -5.996 1.00 3.09 C ATOM 1935 CD2 PHE A 129 1.084 -5.225 -5.423 1.00 2.74 C ATOM 1936 CE1 PHE A 129 -0.017 -2.817 -4.680 1.00 3.96 C ATOM 1937 CE2 PHE A 129 1.249 -4.718 -4.107 1.00 3.61 C ATOM 1938 CZ PHE A 129 0.695 -3.525 -3.763 1.00 3.91 C ATOM 0 H PHE A 129 -2.457 -4.091 -7.347 1.00 0.70 H new ATOM 0 HA PHE A 129 -1.222 -6.244 -8.934 1.00 0.92 H new ATOM 0 HB2 PHE A 129 0.928 -5.852 -7.928 1.00 1.27 H new ATOM 0 HB3 PHE A 129 0.408 -4.269 -8.472 1.00 1.27 H new ATOM 0 HD1 PHE A 129 -0.749 -2.761 -6.724 1.00 3.09 H new ATOM 0 HD2 PHE A 129 1.524 -6.173 -5.695 1.00 2.74 H new ATOM 0 HE1 PHE A 129 -0.457 -1.869 -4.407 1.00 3.96 H new ATOM 0 HE2 PHE A 129 1.815 -5.280 -3.379 1.00 3.61 H new ATOM 0 HZ PHE A 129 0.820 -3.140 -2.762 1.00 3.91 H new ATOM 1948 N GLY A 130 -2.950 -6.483 -6.620 1.00 0.55 N ATOM 1949 CA GLY A 130 -3.534 -7.396 -5.652 1.00 0.66 C ATOM 1950 C GLY A 130 -4.854 -6.846 -5.107 1.00 0.54 C ATOM 1951 O GLY A 130 -5.356 -5.834 -5.593 1.00 0.57 O ATOM 0 H GLY A 130 -3.618 -5.867 -7.083 1.00 0.55 H new ATOM 0 HA2 GLY A 130 -3.705 -8.366 -6.119 1.00 0.66 H new ATOM 0 HA3 GLY A 130 -2.836 -7.556 -4.830 1.00 0.66 H new ATOM 1955 N LYS A 131 -5.377 -7.536 -4.105 1.00 0.53 N ATOM 1956 CA LYS A 131 -6.625 -7.125 -3.484 1.00 0.59 C ATOM 1957 C LYS A 131 -6.672 -7.650 -2.047 1.00 0.53 C ATOM 1958 O LYS A 131 -6.017 -8.638 -1.722 1.00 0.67 O ATOM 1959 CB LYS A 131 -7.817 -7.562 -4.338 1.00 0.83 C ATOM 1960 CG LYS A 131 -8.848 -8.317 -3.494 1.00 1.45 C ATOM 1961 CD LYS A 131 -10.012 -8.804 -4.360 1.00 1.64 C ATOM 1962 CE LYS A 131 -10.682 -10.030 -3.736 1.00 2.24 C ATOM 1963 NZ LYS A 131 -9.913 -11.255 -4.048 1.00 2.69 N ATOM 0 H LYS A 131 -4.960 -8.377 -3.707 1.00 0.53 H new ATOM 0 HA LYS A 131 -6.683 -6.038 -3.428 1.00 0.59 H new ATOM 0 HB2 LYS A 131 -8.283 -6.688 -4.793 1.00 0.83 H new ATOM 0 HB3 LYS A 131 -7.472 -8.199 -5.152 1.00 0.83 H new ATOM 0 HG2 LYS A 131 -8.372 -9.168 -3.006 1.00 1.45 H new ATOM 0 HG3 LYS A 131 -9.224 -7.666 -2.705 1.00 1.45 H new ATOM 0 HD2 LYS A 131 -10.744 -8.004 -4.476 1.00 1.64 H new ATOM 0 HD3 LYS A 131 -9.649 -9.051 -5.358 1.00 1.64 H new ATOM 0 HE2 LYS A 131 -10.753 -9.903 -2.656 1.00 2.24 H new ATOM 0 HE3 LYS A 131 -11.700 -10.127 -4.113 1.00 2.24 H new ATOM 0 HZ1 LYS A 131 -10.412 -11.802 -4.778 1.00 2.69 H new ATOM 0 HZ2 LYS A 131 -8.969 -10.993 -4.397 1.00 2.69 H new ATOM 0 HZ3 LYS A 131 -9.816 -11.833 -3.189 1.00 2.69 H new ATOM 1977 N VAL A 132 -7.453 -6.964 -1.226 1.00 0.49 N ATOM 1978 CA VAL A 132 -7.573 -7.330 0.174 1.00 0.46 C ATOM 1979 C VAL A 132 -8.159 -8.739 0.280 1.00 0.67 C ATOM 1980 O VAL A 132 -9.105 -9.077 -0.430 1.00 0.98 O ATOM 1981 CB VAL A 132 -8.398 -6.282 0.922 1.00 0.50 C ATOM 1982 CG1 VAL A 132 -8.687 -6.731 2.355 1.00 0.65 C ATOM 1983 CG2 VAL A 132 -7.700 -4.920 0.904 1.00 0.77 C ATOM 0 H VAL A 132 -8.009 -6.156 -1.504 1.00 0.49 H new ATOM 0 HA VAL A 132 -6.592 -7.349 0.648 1.00 0.46 H new ATOM 0 HB VAL A 132 -9.352 -6.177 0.406 1.00 0.50 H new ATOM 0 HG11 VAL A 132 -9.275 -5.967 2.864 1.00 0.65 H new ATOM 0 HG12 VAL A 132 -9.245 -7.667 2.337 1.00 0.65 H new ATOM 0 HG13 VAL A 132 -7.747 -6.879 2.886 1.00 0.65 H new ATOM 0 HG21 VAL A 132 -8.307 -4.193 1.443 1.00 0.77 H new ATOM 0 HG22 VAL A 132 -6.725 -5.005 1.384 1.00 0.77 H new ATOM 0 HG23 VAL A 132 -7.570 -4.591 -0.127 1.00 0.77 H new ATOM 1993 N LYS A 133 -7.574 -9.524 1.174 1.00 0.88 N ATOM 1994 CA LYS A 133 -8.019 -10.893 1.373 1.00 1.14 C ATOM 1995 C LYS A 133 -9.336 -10.888 2.150 1.00 0.82 C ATOM 1996 O LYS A 133 -10.412 -10.935 1.556 1.00 1.88 O ATOM 1997 CB LYS A 133 -6.917 -11.724 2.034 1.00 1.79 C ATOM 1998 CG LYS A 133 -7.422 -13.125 2.384 1.00 1.95 C ATOM 1999 CD LYS A 133 -6.275 -14.138 2.379 1.00 2.66 C ATOM 2000 CE LYS A 133 -6.066 -14.723 0.981 1.00 2.76 C ATOM 2001 NZ LYS A 133 -4.648 -15.099 0.784 1.00 4.34 N ATOM 0 H LYS A 133 -6.796 -9.238 1.768 1.00 0.88 H new ATOM 0 HA LYS A 133 -8.216 -11.373 0.414 1.00 1.14 H new ATOM 0 HB2 LYS A 133 -6.061 -11.799 1.363 1.00 1.79 H new ATOM 0 HB3 LYS A 133 -6.571 -11.222 2.937 1.00 1.79 H new ATOM 0 HG2 LYS A 133 -7.895 -13.110 3.366 1.00 1.95 H new ATOM 0 HG3 LYS A 133 -8.185 -13.430 1.668 1.00 1.95 H new ATOM 0 HD2 LYS A 133 -5.358 -13.656 2.716 1.00 2.66 H new ATOM 0 HD3 LYS A 133 -6.491 -14.941 3.084 1.00 2.66 H new ATOM 0 HE2 LYS A 133 -6.702 -15.598 0.847 1.00 2.76 H new ATOM 0 HE3 LYS A 133 -6.363 -13.994 0.227 1.00 2.76 H new ATOM 0 HZ1 LYS A 133 -4.555 -15.660 -0.087 1.00 4.34 H new ATOM 0 HZ2 LYS A 133 -4.069 -14.239 0.705 1.00 4.34 H new ATOM 0 HZ3 LYS A 133 -4.322 -15.663 1.595 1.00 4.34 H new ATOM 2015 N GLU A 134 -9.208 -10.832 3.468 1.00 0.87 N ATOM 2016 CA GLU A 134 -10.374 -10.869 4.335 1.00 0.95 C ATOM 2017 C GLU A 134 -10.105 -10.083 5.620 1.00 1.30 C ATOM 2018 O GLU A 134 -10.220 -10.623 6.718 1.00 2.89 O ATOM 2019 CB GLU A 134 -10.777 -12.312 4.650 1.00 1.37 C ATOM 2020 CG GLU A 134 -11.374 -12.994 3.418 1.00 2.50 C ATOM 2021 CD GLU A 134 -11.991 -14.346 3.786 1.00 2.92 C ATOM 2022 OE1 GLU A 134 -11.226 -15.335 3.793 1.00 3.47 O ATOM 2023 OE2 GLU A 134 -13.213 -14.360 4.051 1.00 3.65 O ATOM 0 H GLU A 134 -8.315 -10.761 3.956 1.00 0.87 H new ATOM 0 HA GLU A 134 -11.207 -10.399 3.812 1.00 0.95 H new ATOM 0 HB2 GLU A 134 -9.906 -12.870 4.993 1.00 1.37 H new ATOM 0 HB3 GLU A 134 -11.503 -12.322 5.463 1.00 1.37 H new ATOM 0 HG2 GLU A 134 -12.135 -12.351 2.975 1.00 2.50 H new ATOM 0 HG3 GLU A 134 -10.599 -13.137 2.665 1.00 2.50 H new ATOM 2030 N GLY A 135 -9.753 -8.818 5.438 1.00 0.90 N ATOM 2031 CA GLY A 135 -9.457 -7.954 6.569 1.00 0.80 C ATOM 2032 C GLY A 135 -9.628 -6.481 6.193 1.00 0.73 C ATOM 2033 O GLY A 135 -8.897 -5.623 6.683 1.00 0.87 O ATOM 0 H GLY A 135 -9.666 -8.371 4.525 1.00 0.90 H new ATOM 0 HA2 GLY A 135 -10.117 -8.200 7.401 1.00 0.80 H new ATOM 0 HA3 GLY A 135 -8.436 -8.130 6.909 1.00 0.80 H new ATOM 2037 N MET A 136 -10.599 -6.234 5.326 1.00 0.69 N ATOM 2038 CA MET A 136 -10.876 -4.880 4.878 1.00 0.81 C ATOM 2039 C MET A 136 -11.605 -4.082 5.960 1.00 0.78 C ATOM 2040 O MET A 136 -11.646 -2.854 5.911 1.00 0.81 O ATOM 2041 CB MET A 136 -11.734 -4.926 3.612 1.00 1.14 C ATOM 2042 CG MET A 136 -13.208 -5.145 3.957 1.00 1.57 C ATOM 2043 SD MET A 136 -14.198 -5.086 2.473 1.00 2.30 S ATOM 2044 CE MET A 136 -13.972 -3.376 2.017 1.00 2.06 C ATOM 0 H MET A 136 -11.204 -6.949 4.922 1.00 0.69 H new ATOM 0 HA MET A 136 -9.927 -4.387 4.667 1.00 0.81 H new ATOM 0 HB2 MET A 136 -11.621 -3.994 3.058 1.00 1.14 H new ATOM 0 HB3 MET A 136 -11.386 -5.728 2.961 1.00 1.14 H new ATOM 0 HG2 MET A 136 -13.335 -6.108 4.451 1.00 1.57 H new ATOM 0 HG3 MET A 136 -13.543 -4.381 4.658 1.00 1.57 H new ATOM 0 HE1 MET A 136 -14.836 -3.034 1.446 1.00 2.06 H new ATOM 0 HE2 MET A 136 -13.869 -2.770 2.917 1.00 2.06 H new ATOM 0 HE3 MET A 136 -13.073 -3.277 1.409 1.00 2.06 H new ATOM 2054 N ASN A 137 -12.163 -4.813 6.915 1.00 0.76 N ATOM 2055 CA ASN A 137 -12.840 -4.188 8.038 1.00 0.79 C ATOM 2056 C ASN A 137 -11.810 -3.467 8.911 1.00 0.71 C ATOM 2057 O ASN A 137 -12.132 -2.478 9.568 1.00 0.71 O ATOM 2058 CB ASN A 137 -13.548 -5.230 8.905 1.00 0.85 C ATOM 2059 CG ASN A 137 -12.569 -6.307 9.379 1.00 1.92 C ATOM 2060 OD1 ASN A 137 -11.852 -6.915 8.602 1.00 3.44 O ATOM 2061 ND2 ASN A 137 -12.578 -6.505 10.694 1.00 2.34 N ATOM 0 H ASN A 137 -12.160 -5.833 6.933 1.00 0.76 H new ATOM 0 HA ASN A 137 -13.577 -3.490 7.641 1.00 0.79 H new ATOM 0 HB2 ASN A 137 -14.003 -4.742 9.767 1.00 0.85 H new ATOM 0 HB3 ASN A 137 -14.356 -5.692 8.337 1.00 0.85 H new ATOM 0 HD21 ASN A 137 -11.959 -7.201 11.109 1.00 2.34 H new ATOM 0 HD22 ASN A 137 -13.204 -5.961 11.287 1.00 2.34 H new ATOM 2068 N ILE A 138 -10.593 -3.991 8.891 1.00 0.68 N ATOM 2069 CA ILE A 138 -9.503 -3.379 9.630 1.00 0.67 C ATOM 2070 C ILE A 138 -9.067 -2.097 8.919 1.00 0.68 C ATOM 2071 O ILE A 138 -8.707 -1.115 9.566 1.00 0.72 O ATOM 2072 CB ILE A 138 -8.368 -4.384 9.839 1.00 0.67 C ATOM 2073 CG1 ILE A 138 -8.867 -5.632 10.570 1.00 0.91 C ATOM 2074 CG2 ILE A 138 -7.185 -3.732 10.558 1.00 0.61 C ATOM 2075 CD1 ILE A 138 -9.504 -5.263 11.911 1.00 0.91 C ATOM 0 H ILE A 138 -10.338 -4.833 8.374 1.00 0.68 H new ATOM 0 HA ILE A 138 -9.832 -3.093 10.629 1.00 0.67 H new ATOM 0 HB ILE A 138 -8.012 -4.706 8.860 1.00 0.67 H new ATOM 0 HG12 ILE A 138 -9.595 -6.155 9.949 1.00 0.91 H new ATOM 0 HG13 ILE A 138 -8.036 -6.318 10.734 1.00 0.91 H new ATOM 0 HG21 ILE A 138 -6.392 -4.467 10.694 1.00 0.61 H new ATOM 0 HG22 ILE A 138 -6.810 -2.900 9.961 1.00 0.61 H new ATOM 0 HG23 ILE A 138 -7.509 -3.363 11.531 1.00 0.61 H new ATOM 0 HD11 ILE A 138 -9.850 -6.168 12.410 1.00 0.91 H new ATOM 0 HD12 ILE A 138 -8.767 -4.762 12.538 1.00 0.91 H new ATOM 0 HD13 ILE A 138 -10.349 -4.596 11.741 1.00 0.91 H new ATOM 2087 N VAL A 139 -9.113 -2.147 7.595 1.00 0.68 N ATOM 2088 CA VAL A 139 -8.777 -0.985 6.790 1.00 0.72 C ATOM 2089 C VAL A 139 -9.850 0.089 6.979 1.00 0.77 C ATOM 2090 O VAL A 139 -9.537 1.274 7.078 1.00 0.83 O ATOM 2091 CB VAL A 139 -8.595 -1.396 5.327 1.00 0.75 C ATOM 2092 CG1 VAL A 139 -8.374 -0.173 4.437 1.00 0.83 C ATOM 2093 CG2 VAL A 139 -7.446 -2.397 5.179 1.00 0.71 C ATOM 0 H VAL A 139 -9.378 -2.974 7.060 1.00 0.68 H new ATOM 0 HA VAL A 139 -7.828 -0.558 7.115 1.00 0.72 H new ATOM 0 HB VAL A 139 -9.512 -1.886 5.000 1.00 0.75 H new ATOM 0 HG11 VAL A 139 -8.248 -0.494 3.403 1.00 0.83 H new ATOM 0 HG12 VAL A 139 -9.236 0.490 4.509 1.00 0.83 H new ATOM 0 HG13 VAL A 139 -7.480 0.358 4.764 1.00 0.83 H new ATOM 0 HG21 VAL A 139 -7.337 -2.673 4.130 1.00 0.71 H new ATOM 0 HG22 VAL A 139 -6.520 -1.943 5.533 1.00 0.71 H new ATOM 0 HG23 VAL A 139 -7.662 -3.288 5.769 1.00 0.71 H new ATOM 2103 N GLU A 140 -11.095 -0.365 7.025 1.00 0.80 N ATOM 2104 CA GLU A 140 -12.210 0.534 7.264 1.00 0.85 C ATOM 2105 C GLU A 140 -12.069 1.205 8.632 1.00 0.87 C ATOM 2106 O GLU A 140 -12.257 2.414 8.758 1.00 0.94 O ATOM 2107 CB GLU A 140 -13.545 -0.206 7.152 1.00 0.86 C ATOM 2108 CG GLU A 140 -14.707 0.778 7.001 1.00 0.90 C ATOM 2109 CD GLU A 140 -15.141 1.325 8.362 1.00 2.31 C ATOM 2110 OE1 GLU A 140 -15.157 0.522 9.319 1.00 3.41 O ATOM 2111 OE2 GLU A 140 -15.449 2.536 8.414 1.00 3.51 O ATOM 0 H GLU A 140 -11.355 -1.343 6.901 1.00 0.80 H new ATOM 0 HA GLU A 140 -12.196 1.309 6.498 1.00 0.85 H new ATOM 0 HB2 GLU A 140 -13.521 -0.880 6.295 1.00 0.86 H new ATOM 0 HB3 GLU A 140 -13.699 -0.822 8.038 1.00 0.86 H new ATOM 0 HG2 GLU A 140 -14.409 1.602 6.352 1.00 0.90 H new ATOM 0 HG3 GLU A 140 -15.549 0.281 6.519 1.00 0.90 H new ATOM 2118 N ALA A 141 -11.737 0.390 9.623 1.00 0.86 N ATOM 2119 CA ALA A 141 -11.574 0.888 10.978 1.00 0.90 C ATOM 2120 C ALA A 141 -10.404 1.873 11.018 1.00 0.85 C ATOM 2121 O ALA A 141 -10.430 2.843 11.774 1.00 0.84 O ATOM 2122 CB ALA A 141 -11.378 -0.290 11.935 1.00 0.98 C ATOM 0 H ALA A 141 -11.577 -0.611 9.514 1.00 0.86 H new ATOM 0 HA ALA A 141 -12.467 1.424 11.300 1.00 0.90 H new ATOM 0 HB1 ALA A 141 -11.256 0.084 12.952 1.00 0.98 H new ATOM 0 HB2 ALA A 141 -12.249 -0.943 11.891 1.00 0.98 H new ATOM 0 HB3 ALA A 141 -10.489 -0.850 11.645 1.00 0.98 H new ATOM 2128 N MET A 142 -9.405 1.589 10.195 1.00 0.93 N ATOM 2129 CA MET A 142 -8.216 2.422 10.146 1.00 0.95 C ATOM 2130 C MET A 142 -8.519 3.772 9.491 1.00 0.87 C ATOM 2131 O MET A 142 -8.103 4.816 9.991 1.00 0.86 O ATOM 2132 CB MET A 142 -7.121 1.705 9.355 1.00 1.12 C ATOM 2133 CG MET A 142 -5.939 2.638 9.082 1.00 1.31 C ATOM 2134 SD MET A 142 -4.485 1.682 8.688 1.00 1.21 S ATOM 2135 CE MET A 142 -5.094 0.752 7.291 1.00 1.60 C ATOM 0 H MET A 142 -9.395 0.793 9.557 1.00 0.93 H new ATOM 0 HA MET A 142 -7.879 2.602 11.167 1.00 0.95 H new ATOM 0 HB2 MET A 142 -6.779 0.832 9.911 1.00 1.12 H new ATOM 0 HB3 MET A 142 -7.528 1.342 8.411 1.00 1.12 H new ATOM 0 HG2 MET A 142 -6.178 3.309 8.257 1.00 1.31 H new ATOM 0 HG3 MET A 142 -5.748 3.262 9.955 1.00 1.31 H new ATOM 0 HE1 MET A 142 -4.261 0.486 6.640 1.00 1.60 H new ATOM 0 HE2 MET A 142 -5.583 -0.156 7.644 1.00 1.60 H new ATOM 0 HE3 MET A 142 -5.810 1.357 6.735 1.00 1.60 H new ATOM 2145 N GLU A 143 -9.240 3.706 8.381 1.00 0.95 N ATOM 2146 CA GLU A 143 -9.453 4.884 7.557 1.00 1.04 C ATOM 2147 C GLU A 143 -10.481 5.809 8.208 1.00 1.18 C ATOM 2148 O GLU A 143 -10.410 7.028 8.055 1.00 1.22 O ATOM 2149 CB GLU A 143 -9.886 4.491 6.142 1.00 1.37 C ATOM 2150 CG GLU A 143 -11.407 4.357 6.053 1.00 1.56 C ATOM 2151 CD GLU A 143 -11.838 3.910 4.654 1.00 1.66 C ATOM 2152 OE1 GLU A 143 -11.823 2.683 4.422 1.00 2.64 O ATOM 2153 OE2 GLU A 143 -12.170 4.807 3.850 1.00 2.32 O ATOM 0 H GLU A 143 -9.684 2.856 8.033 1.00 0.95 H new ATOM 0 HA GLU A 143 -8.509 5.423 7.477 1.00 1.04 H new ATOM 0 HB2 GLU A 143 -9.541 5.241 5.430 1.00 1.37 H new ATOM 0 HB3 GLU A 143 -9.417 3.547 5.863 1.00 1.37 H new ATOM 0 HG2 GLU A 143 -11.756 3.636 6.792 1.00 1.56 H new ATOM 0 HG3 GLU A 143 -11.874 5.312 6.294 1.00 1.56 H new ATOM 2160 N ARG A 144 -11.414 5.196 8.922 1.00 1.39 N ATOM 2161 CA ARG A 144 -12.470 5.948 9.578 1.00 1.66 C ATOM 2162 C ARG A 144 -11.947 6.582 10.869 1.00 1.51 C ATOM 2163 O ARG A 144 -12.596 7.453 11.444 1.00 1.63 O ATOM 2164 CB ARG A 144 -13.664 5.049 9.906 1.00 2.22 C ATOM 2165 CG ARG A 144 -13.456 4.327 11.238 1.00 1.91 C ATOM 2166 CD ARG A 144 -14.561 3.297 11.482 1.00 2.72 C ATOM 2167 NE ARG A 144 -14.502 2.811 12.879 1.00 3.36 N ATOM 2168 CZ ARG A 144 -15.099 3.420 13.912 1.00 4.00 C ATOM 2169 NH1 ARG A 144 -15.651 4.630 13.749 1.00 4.32 N ATOM 2170 NH2 ARG A 144 -15.144 2.818 15.109 1.00 5.39 N ATOM 0 H ARG A 144 -11.460 4.187 9.061 1.00 1.39 H new ATOM 0 HA ARG A 144 -12.796 6.730 8.892 1.00 1.66 H new ATOM 0 HB2 ARG A 144 -14.573 5.648 9.951 1.00 2.22 H new ATOM 0 HB3 ARG A 144 -13.803 4.318 9.110 1.00 2.22 H new ATOM 0 HG2 ARG A 144 -12.485 3.831 11.239 1.00 1.91 H new ATOM 0 HG3 ARG A 144 -13.444 5.053 12.051 1.00 1.91 H new ATOM 0 HD2 ARG A 144 -15.536 3.744 11.285 1.00 2.72 H new ATOM 0 HD3 ARG A 144 -14.448 2.460 10.792 1.00 2.72 H new ATOM 0 HE ARG A 144 -13.974 1.959 13.067 1.00 3.36 H new ATOM 0 HH11 ARG A 144 -15.617 5.088 12.838 1.00 4.32 H new ATOM 0 HH12 ARG A 144 -16.106 5.093 14.536 1.00 4.32 H new ATOM 0 HH21 ARG A 144 -14.724 1.897 15.233 1.00 5.39 H new ATOM 0 HH22 ARG A 144 -15.598 3.281 15.896 1.00 5.39 H new ATOM 2184 N PHE A 145 -10.777 6.119 11.286 1.00 1.42 N ATOM 2185 CA PHE A 145 -10.088 6.732 12.409 1.00 1.48 C ATOM 2186 C PHE A 145 -9.262 7.937 11.954 1.00 1.29 C ATOM 2187 O PHE A 145 -8.887 8.780 12.767 1.00 1.57 O ATOM 2188 CB PHE A 145 -9.148 5.673 12.987 1.00 1.58 C ATOM 2189 CG PHE A 145 -9.675 5.000 14.257 1.00 1.73 C ATOM 2190 CD1 PHE A 145 -10.934 4.486 14.281 1.00 3.02 C ATOM 2191 CD2 PHE A 145 -8.884 4.916 15.360 1.00 1.95 C ATOM 2192 CE1 PHE A 145 -11.423 3.862 15.459 1.00 3.22 C ATOM 2193 CE2 PHE A 145 -9.374 4.291 16.538 1.00 2.34 C ATOM 2194 CZ PHE A 145 -10.632 3.777 16.562 1.00 2.42 C ATOM 0 H PHE A 145 -10.289 5.327 10.867 1.00 1.42 H new ATOM 0 HA PHE A 145 -10.812 7.080 13.146 1.00 1.48 H new ATOM 0 HB2 PHE A 145 -8.969 4.909 12.231 1.00 1.58 H new ATOM 0 HB3 PHE A 145 -8.186 6.136 13.206 1.00 1.58 H new ATOM 0 HD1 PHE A 145 -11.561 4.552 13.404 1.00 3.02 H new ATOM 0 HD2 PHE A 145 -7.884 5.324 15.340 1.00 1.95 H new ATOM 0 HE1 PHE A 145 -12.423 3.455 15.479 1.00 3.22 H new ATOM 0 HE2 PHE A 145 -8.747 4.224 17.415 1.00 2.34 H new ATOM 0 HZ PHE A 145 -11.004 3.301 17.457 1.00 2.42 H new ATOM 2204 N GLY A 146 -9.000 7.980 10.656 1.00 1.05 N ATOM 2205 CA GLY A 146 -8.297 9.108 10.071 1.00 0.93 C ATOM 2206 C GLY A 146 -9.226 10.314 9.921 1.00 1.04 C ATOM 2207 O GLY A 146 -10.407 10.239 10.255 1.00 1.83 O ATOM 0 H GLY A 146 -9.262 7.251 9.993 1.00 1.05 H new ATOM 0 HA2 GLY A 146 -7.446 9.375 10.697 1.00 0.93 H new ATOM 0 HA3 GLY A 146 -7.899 8.827 9.096 1.00 0.93 H new ATOM 2211 N SER A 147 -8.656 11.401 9.421 1.00 0.76 N ATOM 2212 CA SER A 147 -9.420 12.620 9.215 1.00 0.95 C ATOM 2213 C SER A 147 -8.638 13.582 8.319 1.00 1.32 C ATOM 2214 O SER A 147 -7.487 13.318 7.974 1.00 2.45 O ATOM 2215 CB SER A 147 -9.755 13.291 10.549 1.00 1.70 C ATOM 2216 OG SER A 147 -8.589 13.756 11.221 1.00 2.72 O ATOM 0 H SER A 147 -7.674 11.463 9.152 1.00 0.76 H new ATOM 0 HA SER A 147 -10.358 12.358 8.725 1.00 0.95 H new ATOM 0 HB2 SER A 147 -10.430 14.128 10.374 1.00 1.70 H new ATOM 0 HB3 SER A 147 -10.283 12.583 11.188 1.00 1.70 H new ATOM 0 HG SER A 147 -8.318 13.101 11.898 1.00 2.72 H new ATOM 2222 N ARG A 148 -9.293 14.679 7.969 1.00 1.54 N ATOM 2223 CA ARG A 148 -8.692 15.660 7.082 1.00 2.24 C ATOM 2224 C ARG A 148 -7.622 16.463 7.825 1.00 2.63 C ATOM 2225 O ARG A 148 -6.949 17.304 7.231 1.00 3.44 O ATOM 2226 CB ARG A 148 -9.746 16.619 6.526 1.00 2.80 C ATOM 2227 CG ARG A 148 -10.216 17.600 7.601 1.00 3.18 C ATOM 2228 CD ARG A 148 -11.438 18.389 7.128 1.00 3.80 C ATOM 2229 NE ARG A 148 -11.761 19.456 8.102 1.00 4.91 N ATOM 2230 CZ ARG A 148 -11.192 20.668 8.104 1.00 6.16 C ATOM 2231 NH1 ARG A 148 -10.166 20.928 7.282 1.00 6.58 N ATOM 2232 NH2 ARG A 148 -11.647 21.621 8.928 1.00 7.47 N ATOM 0 H ARG A 148 -10.235 14.910 8.284 1.00 1.54 H new ATOM 0 HA ARG A 148 -8.235 15.121 6.252 1.00 2.24 H new ATOM 0 HB2 ARG A 148 -9.332 17.170 5.682 1.00 2.80 H new ATOM 0 HB3 ARG A 148 -10.597 16.051 6.150 1.00 2.80 H new ATOM 0 HG2 ARG A 148 -10.461 17.055 8.513 1.00 3.18 H new ATOM 0 HG3 ARG A 148 -9.408 18.288 7.848 1.00 3.18 H new ATOM 0 HD2 ARG A 148 -11.242 18.826 6.149 1.00 3.80 H new ATOM 0 HD3 ARG A 148 -12.291 17.720 7.013 1.00 3.80 H new ATOM 0 HE ARG A 148 -12.461 19.255 8.816 1.00 4.91 H new ATOM 0 HH11 ARG A 148 -9.819 20.203 6.655 1.00 6.58 H new ATOM 0 HH12 ARG A 148 -9.733 21.851 7.284 1.00 6.58 H new ATOM 0 HH21 ARG A 148 -12.427 21.424 9.554 1.00 7.47 H new ATOM 0 HH22 ARG A 148 -11.213 22.544 8.929 1.00 7.47 H new ATOM 2246 N ASN A 149 -7.499 16.176 9.112 1.00 2.61 N ATOM 2247 CA ASN A 149 -6.515 16.852 9.940 1.00 3.56 C ATOM 2248 C ASN A 149 -5.111 16.495 9.448 1.00 3.44 C ATOM 2249 O ASN A 149 -4.159 17.235 9.687 1.00 4.34 O ATOM 2250 CB ASN A 149 -6.630 16.413 11.401 1.00 4.13 C ATOM 2251 CG ASN A 149 -5.644 15.285 11.714 1.00 3.45 C ATOM 2252 OD1 ASN A 149 -4.570 15.495 12.253 1.00 3.89 O ATOM 2253 ND2 ASN A 149 -6.069 14.079 11.347 1.00 3.66 N ATOM 0 H ASN A 149 -8.065 15.484 9.602 1.00 2.61 H new ATOM 0 HA ASN A 149 -6.695 17.925 9.871 1.00 3.56 H new ATOM 0 HB2 ASN A 149 -6.436 17.262 12.056 1.00 4.13 H new ATOM 0 HB3 ASN A 149 -7.647 16.079 11.605 1.00 4.13 H new ATOM 0 HD21 ASN A 149 -5.484 13.260 11.513 1.00 3.66 H new ATOM 0 HD22 ASN A 149 -6.980 13.973 10.900 1.00 3.66 H new ATOM 2260 N GLY A 150 -5.027 15.360 8.768 1.00 2.51 N ATOM 2261 CA GLY A 150 -3.753 14.890 8.252 1.00 2.71 C ATOM 2262 C GLY A 150 -3.333 13.587 8.933 1.00 2.12 C ATOM 2263 O GLY A 150 -2.318 13.545 9.629 1.00 3.15 O ATOM 0 H GLY A 150 -5.821 14.753 8.563 1.00 2.51 H new ATOM 0 HA2 GLY A 150 -3.828 14.734 7.176 1.00 2.71 H new ATOM 0 HA3 GLY A 150 -2.989 15.651 8.412 1.00 2.71 H new ATOM 2267 N LYS A 151 -4.133 12.554 8.710 1.00 1.29 N ATOM 2268 CA LYS A 151 -3.744 11.209 9.098 1.00 1.70 C ATOM 2269 C LYS A 151 -4.084 10.989 10.574 1.00 1.39 C ATOM 2270 O LYS A 151 -3.719 11.798 11.424 1.00 2.02 O ATOM 2271 CB LYS A 151 -2.273 10.958 8.761 1.00 2.79 C ATOM 2272 CG LYS A 151 -1.423 10.895 10.031 1.00 2.82 C ATOM 2273 CD LYS A 151 0.065 11.027 9.702 1.00 3.61 C ATOM 2274 CE LYS A 151 0.608 9.737 9.084 1.00 4.89 C ATOM 2275 NZ LYS A 151 0.903 8.741 10.138 1.00 5.81 N ATOM 0 H LYS A 151 -5.049 12.622 8.266 1.00 1.29 H new ATOM 0 HA LYS A 151 -4.308 10.471 8.528 1.00 1.70 H new ATOM 0 HB2 LYS A 151 -2.177 10.023 8.208 1.00 2.79 H new ATOM 0 HB3 LYS A 151 -1.904 11.752 8.111 1.00 2.79 H new ATOM 0 HG2 LYS A 151 -1.721 11.692 10.712 1.00 2.82 H new ATOM 0 HG3 LYS A 151 -1.603 9.952 10.547 1.00 2.82 H new ATOM 0 HD2 LYS A 151 0.216 11.857 9.011 1.00 3.61 H new ATOM 0 HD3 LYS A 151 0.622 11.262 10.609 1.00 3.61 H new ATOM 0 HE2 LYS A 151 -0.120 9.328 8.383 1.00 4.89 H new ATOM 0 HE3 LYS A 151 1.513 9.952 8.515 1.00 4.89 H new ATOM 0 HZ1 LYS A 151 1.349 7.905 9.710 1.00 5.81 H new ATOM 0 HZ2 LYS A 151 1.549 9.158 10.838 1.00 5.81 H new ATOM 0 HZ3 LYS A 151 0.018 8.460 10.607 1.00 5.81 H new ATOM 2289 N THR A 152 -4.777 9.889 10.831 1.00 1.70 N ATOM 2290 CA THR A 152 -5.002 9.450 12.198 1.00 1.53 C ATOM 2291 C THR A 152 -5.413 10.633 13.076 1.00 1.87 C ATOM 2292 O THR A 152 -5.855 11.664 12.570 1.00 2.99 O ATOM 2293 CB THR A 152 -3.735 8.744 12.682 1.00 1.61 C ATOM 2294 OG1 THR A 152 -2.735 9.759 12.641 1.00 2.44 O ATOM 2295 CG2 THR A 152 -3.236 7.690 11.692 1.00 1.59 C ATOM 0 H THR A 152 -5.190 9.289 10.117 1.00 1.70 H new ATOM 0 HA THR A 152 -5.828 8.741 12.256 1.00 1.53 H new ATOM 0 HB THR A 152 -3.928 8.273 13.646 1.00 1.61 H new ATOM 0 HG1 THR A 152 -1.879 9.387 12.941 1.00 2.44 H new ATOM 0 HG21 THR A 152 -2.335 7.220 12.085 1.00 1.59 H new ATOM 0 HG22 THR A 152 -4.007 6.933 11.547 1.00 1.59 H new ATOM 0 HG23 THR A 152 -3.011 8.165 10.737 1.00 1.59 H new ATOM 2303 N SER A 153 -5.256 10.444 14.379 1.00 1.63 N ATOM 2304 CA SER A 153 -5.381 11.548 15.316 1.00 2.12 C ATOM 2305 C SER A 153 -4.615 11.232 16.601 1.00 1.90 C ATOM 2306 O SER A 153 -4.982 11.701 17.677 1.00 2.54 O ATOM 2307 CB SER A 153 -6.849 11.839 15.630 1.00 2.91 C ATOM 2308 OG SER A 153 -7.467 10.767 16.339 1.00 3.41 O ATOM 0 H SER A 153 -5.043 9.543 14.807 1.00 1.63 H new ATOM 0 HA SER A 153 -4.953 12.438 14.856 1.00 2.12 H new ATOM 0 HB2 SER A 153 -6.919 12.752 16.221 1.00 2.91 H new ATOM 0 HB3 SER A 153 -7.390 12.018 14.701 1.00 2.91 H new ATOM 0 HG SER A 153 -8.403 10.992 16.522 1.00 3.41 H new ATOM 2314 N LYS A 154 -3.565 10.438 16.448 1.00 1.34 N ATOM 2315 CA LYS A 154 -2.769 10.020 17.589 1.00 1.39 C ATOM 2316 C LYS A 154 -1.435 9.458 17.096 1.00 1.45 C ATOM 2317 O LYS A 154 -0.460 10.194 16.960 1.00 1.85 O ATOM 2318 CB LYS A 154 -3.560 9.048 18.467 1.00 1.54 C ATOM 2319 CG LYS A 154 -2.721 8.578 19.657 1.00 2.83 C ATOM 2320 CD LYS A 154 -3.593 7.872 20.698 1.00 3.05 C ATOM 2321 CE LYS A 154 -4.100 8.862 21.749 1.00 3.68 C ATOM 2322 NZ LYS A 154 -3.057 9.116 22.768 1.00 5.36 N ATOM 0 H LYS A 154 -3.247 10.073 15.550 1.00 1.34 H new ATOM 0 HA LYS A 154 -2.539 10.874 18.227 1.00 1.39 H new ATOM 0 HB2 LYS A 154 -4.468 9.533 18.826 1.00 1.54 H new ATOM 0 HB3 LYS A 154 -3.871 8.188 17.874 1.00 1.54 H new ATOM 0 HG2 LYS A 154 -1.941 7.900 19.311 1.00 2.83 H new ATOM 0 HG3 LYS A 154 -2.222 9.432 20.115 1.00 2.83 H new ATOM 0 HD2 LYS A 154 -4.439 7.394 20.205 1.00 3.05 H new ATOM 0 HD3 LYS A 154 -3.019 7.082 21.183 1.00 3.05 H new ATOM 0 HE2 LYS A 154 -4.383 9.799 21.268 1.00 3.68 H new ATOM 0 HE3 LYS A 154 -4.996 8.466 22.228 1.00 3.68 H new ATOM 0 HZ1 LYS A 154 -3.418 9.790 23.473 1.00 5.36 H new ATOM 0 HZ2 LYS A 154 -2.807 8.223 23.239 1.00 5.36 H new ATOM 0 HZ3 LYS A 154 -2.213 9.514 22.309 1.00 5.36 H new ATOM 2336 N LYS A 155 -1.434 8.157 16.843 1.00 1.25 N ATOM 2337 CA LYS A 155 -0.226 7.481 16.402 1.00 1.31 C ATOM 2338 C LYS A 155 -0.573 6.053 15.978 1.00 1.30 C ATOM 2339 O LYS A 155 -1.016 5.249 16.796 1.00 1.57 O ATOM 2340 CB LYS A 155 0.855 7.557 17.483 1.00 1.48 C ATOM 2341 CG LYS A 155 2.205 7.947 16.880 1.00 1.90 C ATOM 2342 CD LYS A 155 2.801 6.791 16.074 1.00 2.81 C ATOM 2343 CE LYS A 155 4.203 7.141 15.570 1.00 3.90 C ATOM 2344 NZ LYS A 155 5.188 7.047 16.670 1.00 4.26 N ATOM 0 H LYS A 155 -2.251 7.553 16.935 1.00 1.25 H new ATOM 0 HA LYS A 155 0.194 7.980 15.529 1.00 1.31 H new ATOM 0 HB2 LYS A 155 0.567 8.286 18.240 1.00 1.48 H new ATOM 0 HB3 LYS A 155 0.941 6.593 17.985 1.00 1.48 H new ATOM 0 HG2 LYS A 155 2.082 8.818 16.236 1.00 1.90 H new ATOM 0 HG3 LYS A 155 2.893 8.233 17.675 1.00 1.90 H new ATOM 0 HD2 LYS A 155 2.846 5.896 16.694 1.00 2.81 H new ATOM 0 HD3 LYS A 155 2.153 6.560 15.228 1.00 2.81 H new ATOM 0 HE2 LYS A 155 4.485 6.465 14.763 1.00 3.90 H new ATOM 0 HE3 LYS A 155 4.206 8.150 15.157 1.00 3.90 H new ATOM 0 HZ1 LYS A 155 6.145 7.205 16.294 1.00 4.26 H new ATOM 0 HZ2 LYS A 155 4.976 7.768 17.389 1.00 4.26 H new ATOM 0 HZ3 LYS A 155 5.137 6.102 17.102 1.00 4.26 H new ATOM 2358 N ILE A 156 -0.357 5.781 14.698 1.00 1.14 N ATOM 2359 CA ILE A 156 -0.572 4.444 14.171 1.00 1.15 C ATOM 2360 C ILE A 156 0.771 3.844 13.750 1.00 1.17 C ATOM 2361 O ILE A 156 1.594 4.523 13.137 1.00 1.40 O ATOM 2362 CB ILE A 156 -1.612 4.473 13.050 1.00 1.18 C ATOM 2363 CG1 ILE A 156 -2.250 3.095 12.859 1.00 2.13 C ATOM 2364 CG2 ILE A 156 -1.003 5.006 11.751 1.00 2.11 C ATOM 2365 CD1 ILE A 156 -3.436 3.168 11.894 1.00 1.97 C ATOM 0 H ILE A 156 -0.036 6.464 14.012 1.00 1.14 H new ATOM 0 HA ILE A 156 -0.984 3.792 14.941 1.00 1.15 H new ATOM 0 HB ILE A 156 -2.407 5.160 13.339 1.00 1.18 H new ATOM 0 HG12 ILE A 156 -1.507 2.396 12.475 1.00 2.13 H new ATOM 0 HG13 ILE A 156 -2.583 2.708 13.822 1.00 2.13 H new ATOM 0 HG21 ILE A 156 -1.763 5.016 10.970 1.00 2.11 H new ATOM 0 HG22 ILE A 156 -0.634 6.019 11.911 1.00 2.11 H new ATOM 0 HG23 ILE A 156 -0.178 4.363 11.445 1.00 2.11 H new ATOM 0 HD11 ILE A 156 -3.871 2.175 11.776 1.00 1.97 H new ATOM 0 HD12 ILE A 156 -4.188 3.849 12.293 1.00 1.97 H new ATOM 0 HD13 ILE A 156 -3.095 3.532 10.925 1.00 1.97 H new ATOM 2377 N THR A 157 0.951 2.578 14.096 1.00 1.07 N ATOM 2378 CA THR A 157 2.178 1.876 13.755 1.00 1.11 C ATOM 2379 C THR A 157 1.873 0.427 13.369 1.00 1.04 C ATOM 2380 O THR A 157 0.809 -0.095 13.695 1.00 0.99 O ATOM 2381 CB THR A 157 3.138 2.000 14.939 1.00 1.28 C ATOM 2382 OG1 THR A 157 2.737 3.205 15.587 1.00 1.99 O ATOM 2383 CG2 THR A 157 4.578 2.276 14.499 1.00 1.94 C ATOM 0 H THR A 157 0.268 2.020 14.609 1.00 1.07 H new ATOM 0 HA THR A 157 2.658 2.318 12.882 1.00 1.11 H new ATOM 0 HB THR A 157 3.107 1.083 15.528 1.00 1.28 H new ATOM 0 HG1 THR A 157 3.307 3.362 16.368 1.00 1.99 H new ATOM 0 HG21 THR A 157 5.218 2.355 15.378 1.00 1.94 H new ATOM 0 HG22 THR A 157 4.928 1.460 13.867 1.00 1.94 H new ATOM 0 HG23 THR A 157 4.614 3.210 13.938 1.00 1.94 H new ATOM 2391 N ILE A 158 2.828 -0.180 12.680 1.00 1.14 N ATOM 2392 CA ILE A 158 2.711 -1.582 12.316 1.00 1.12 C ATOM 2393 C ILE A 158 3.386 -2.440 13.390 1.00 1.14 C ATOM 2394 O ILE A 158 4.555 -2.233 13.709 1.00 1.21 O ATOM 2395 CB ILE A 158 3.258 -1.818 10.907 1.00 1.17 C ATOM 2396 CG1 ILE A 158 2.218 -1.449 9.847 1.00 1.45 C ATOM 2397 CG2 ILE A 158 3.756 -3.256 10.746 1.00 1.19 C ATOM 2398 CD1 ILE A 158 2.880 -1.215 8.488 1.00 1.47 C ATOM 0 H ILE A 158 3.686 0.273 12.364 1.00 1.14 H new ATOM 0 HA ILE A 158 1.663 -1.880 12.279 1.00 1.12 H new ATOM 0 HB ILE A 158 4.116 -1.162 10.759 1.00 1.17 H new ATOM 0 HG12 ILE A 158 1.480 -2.247 9.763 1.00 1.45 H new ATOM 0 HG13 ILE A 158 1.683 -0.550 10.155 1.00 1.45 H new ATOM 0 HG21 ILE A 158 4.140 -3.397 9.736 1.00 1.19 H new ATOM 0 HG22 ILE A 158 4.551 -3.448 11.466 1.00 1.19 H new ATOM 0 HG23 ILE A 158 2.932 -3.948 10.921 1.00 1.19 H new ATOM 0 HD11 ILE A 158 2.119 -0.954 7.753 1.00 1.47 H new ATOM 0 HD12 ILE A 158 3.600 -0.401 8.569 1.00 1.47 H new ATOM 0 HD13 ILE A 158 3.394 -2.123 8.172 1.00 1.47 H new ATOM 2410 N ALA A 159 2.620 -3.385 13.914 1.00 1.17 N ATOM 2411 CA ALA A 159 3.146 -4.311 14.903 1.00 1.21 C ATOM 2412 C ALA A 159 4.167 -5.236 14.236 1.00 1.14 C ATOM 2413 O ALA A 159 5.290 -5.376 14.717 1.00 1.30 O ATOM 2414 CB ALA A 159 1.992 -5.082 15.545 1.00 1.21 C ATOM 0 H ALA A 159 1.640 -3.530 13.673 1.00 1.17 H new ATOM 0 HA ALA A 159 3.660 -3.772 15.699 1.00 1.21 H new ATOM 0 HB1 ALA A 159 2.387 -5.776 16.287 1.00 1.21 H new ATOM 0 HB2 ALA A 159 1.311 -4.382 16.029 1.00 1.21 H new ATOM 0 HB3 ALA A 159 1.454 -5.638 14.777 1.00 1.21 H new ATOM 2420 N ASP A 160 3.739 -5.843 13.139 1.00 0.96 N ATOM 2421 CA ASP A 160 4.610 -6.728 12.385 1.00 0.90 C ATOM 2422 C ASP A 160 3.929 -7.109 11.069 1.00 0.88 C ATOM 2423 O ASP A 160 2.721 -6.928 10.917 1.00 0.93 O ATOM 2424 CB ASP A 160 4.892 -8.016 13.161 1.00 0.86 C ATOM 2425 CG ASP A 160 3.666 -8.657 13.817 1.00 2.17 C ATOM 2426 OD1 ASP A 160 3.292 -8.181 14.910 1.00 3.01 O ATOM 2427 OD2 ASP A 160 3.131 -9.609 13.210 1.00 3.48 O ATOM 0 H ASP A 160 2.800 -5.739 12.754 1.00 0.96 H new ATOM 0 HA ASP A 160 5.548 -6.203 12.204 1.00 0.90 H new ATOM 0 HB2 ASP A 160 5.343 -8.740 12.482 1.00 0.86 H new ATOM 0 HB3 ASP A 160 5.629 -7.802 13.935 1.00 0.86 H new ATOM 2432 N CYS A 161 4.732 -7.628 10.153 1.00 0.89 N ATOM 2433 CA CYS A 161 4.226 -8.014 8.846 1.00 0.93 C ATOM 2434 C CYS A 161 5.278 -8.890 8.163 1.00 1.02 C ATOM 2435 O CYS A 161 6.428 -8.937 8.597 1.00 1.40 O ATOM 2436 CB CYS A 161 3.859 -6.795 7.998 1.00 1.60 C ATOM 2437 SG CYS A 161 5.256 -5.614 7.962 1.00 1.72 S ATOM 0 H CYS A 161 5.730 -7.791 10.289 1.00 0.89 H new ATOM 0 HA CYS A 161 3.303 -8.582 8.964 1.00 0.93 H new ATOM 0 HB2 CYS A 161 3.611 -7.109 6.984 1.00 1.60 H new ATOM 0 HB3 CYS A 161 2.973 -6.310 8.408 1.00 1.60 H new ATOM 0 HG CYS A 161 6.368 -6.251 8.178 1.00 1.72 H new ATOM 2443 N GLY A 162 4.847 -9.561 7.105 1.00 1.04 N ATOM 2444 CA GLY A 162 5.751 -10.386 6.323 1.00 1.65 C ATOM 2445 C GLY A 162 4.977 -11.281 5.353 1.00 1.21 C ATOM 2446 O GLY A 162 3.793 -11.057 5.107 1.00 1.35 O ATOM 0 H GLY A 162 3.883 -9.550 6.771 1.00 1.04 H new ATOM 0 HA2 GLY A 162 6.439 -9.750 5.766 1.00 1.65 H new ATOM 0 HA3 GLY A 162 6.355 -11.002 6.989 1.00 1.65 H new ATOM 2450 N GLN A 163 5.677 -12.277 4.829 1.00 1.52 N ATOM 2451 CA GLN A 163 5.088 -13.169 3.846 1.00 1.22 C ATOM 2452 C GLN A 163 4.712 -14.502 4.496 1.00 1.35 C ATOM 2453 O GLN A 163 5.459 -15.027 5.321 1.00 1.69 O ATOM 2454 CB GLN A 163 6.035 -13.384 2.663 1.00 1.36 C ATOM 2455 CG GLN A 163 5.255 -13.707 1.388 1.00 2.03 C ATOM 2456 CD GLN A 163 6.009 -14.722 0.526 1.00 1.91 C ATOM 2457 OE1 GLN A 163 5.445 -15.665 -0.004 1.00 2.68 O ATOM 2458 NE2 GLN A 163 7.312 -14.477 0.417 1.00 2.65 N ATOM 0 H GLN A 163 6.647 -12.485 5.067 1.00 1.52 H new ATOM 0 HA GLN A 163 4.179 -12.705 3.462 1.00 1.22 H new ATOM 0 HB2 GLN A 163 6.638 -12.489 2.508 1.00 1.36 H new ATOM 0 HB3 GLN A 163 6.724 -14.198 2.888 1.00 1.36 H new ATOM 0 HG2 GLN A 163 4.274 -14.104 1.648 1.00 2.03 H new ATOM 0 HG3 GLN A 163 5.088 -12.793 0.818 1.00 2.03 H new ATOM 0 HE21 GLN A 163 7.720 -13.669 0.887 1.00 2.65 H new ATOM 0 HE22 GLN A 163 7.903 -15.097 -0.137 1.00 2.65 H new ATOM 2467 N LEU A 164 3.555 -15.012 4.101 1.00 1.24 N ATOM 2468 CA LEU A 164 3.120 -16.321 4.556 1.00 1.53 C ATOM 2469 C LEU A 164 3.646 -17.391 3.596 1.00 1.83 C ATOM 2470 O LEU A 164 2.866 -18.116 2.981 1.00 1.98 O ATOM 2471 CB LEU A 164 1.601 -16.349 4.734 1.00 1.40 C ATOM 2472 CG LEU A 164 1.025 -15.359 5.749 1.00 1.21 C ATOM 2473 CD1 LEU A 164 -0.484 -15.200 5.565 1.00 1.15 C ATOM 2474 CD2 LEU A 164 1.389 -15.767 7.178 1.00 1.49 C ATOM 0 H LEU A 164 2.905 -14.542 3.471 1.00 1.24 H new ATOM 0 HA LEU A 164 3.537 -16.540 5.539 1.00 1.53 H new ATOM 0 HB2 LEU A 164 1.138 -16.157 3.766 1.00 1.40 H new ATOM 0 HB3 LEU A 164 1.309 -17.356 5.032 1.00 1.40 H new ATOM 0 HG LEU A 164 1.475 -14.383 5.568 1.00 1.21 H new ATOM 0 HD11 LEU A 164 -0.867 -14.491 6.299 1.00 1.15 H new ATOM 0 HD12 LEU A 164 -0.691 -14.830 4.561 1.00 1.15 H new ATOM 0 HD13 LEU A 164 -0.971 -16.165 5.704 1.00 1.15 H new ATOM 0 HD21 LEU A 164 0.968 -15.047 7.880 1.00 1.49 H new ATOM 0 HD22 LEU A 164 0.985 -16.758 7.388 1.00 1.49 H new ATOM 0 HD23 LEU A 164 2.473 -15.787 7.286 1.00 1.49 H new ATOM 2486 N GLU A 165 4.966 -17.454 3.499 1.00 2.47 N ATOM 2487 CA GLU A 165 5.604 -18.372 2.570 1.00 2.85 C ATOM 2488 C GLU A 165 5.716 -19.765 3.195 1.00 3.72 C ATOM 2489 O GLU A 165 6.245 -19.916 4.294 1.00 4.96 O ATOM 2490 CB GLU A 165 6.978 -17.851 2.142 1.00 3.71 C ATOM 2491 CG GLU A 165 7.412 -18.480 0.816 1.00 4.59 C ATOM 2492 CD GLU A 165 8.590 -17.715 0.208 1.00 5.84 C ATOM 2493 OE1 GLU A 165 9.732 -18.008 0.624 1.00 6.52 O ATOM 2494 OE2 GLU A 165 8.322 -16.855 -0.659 1.00 6.56 O ATOM 0 H GLU A 165 5.611 -16.885 4.048 1.00 2.47 H new ATOM 0 HA GLU A 165 4.985 -18.444 1.676 1.00 2.85 H new ATOM 0 HB2 GLU A 165 6.945 -16.766 2.041 1.00 3.71 H new ATOM 0 HB3 GLU A 165 7.714 -18.077 2.914 1.00 3.71 H new ATOM 0 HG2 GLU A 165 7.693 -19.521 0.977 1.00 4.59 H new ATOM 0 HG3 GLU A 165 6.575 -18.481 0.118 1.00 4.59 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.606 17.878 -4.863 1.00 1.13 N HETATM 2503 CA DAL B 201 -8.429 16.737 -5.229 1.00 1.01 C HETATM 2504 CB DAL B 201 -9.907 17.103 -5.075 1.00 1.02 C HETATM 2505 C DAL B 201 -8.034 15.533 -4.373 1.00 0.88 C HETATM 2506 O DAL B 201 -7.417 15.691 -3.320 1.00 0.90 O HETATM 0 HB3 DAL B 201 -10.108 17.378 -4.040 1.00 1.02 H new HETATM 0 HB2 DAL B 201 -10.143 17.945 -5.726 1.00 1.02 H new HETATM 0 HB1 DAL B 201 -10.524 16.248 -5.349 1.00 1.02 H new HETATM 0 HA DAL B 201 -8.267 16.466 -6.272 1.00 1.01 H new HETATM 0 H DAL B 201 -8.045 18.748 -4.562 1.00 1.13 H new HETATM 2512 N MLE B 202 -8.404 14.356 -4.856 1.00 0.81 N HETATM 2513 CN MLE B 202 -9.261 14.135 -6.434 1.00 0.92 C HETATM 2514 CA MLE B 202 -8.136 13.130 -4.125 1.00 0.75 C HETATM 2515 CB MLE B 202 -9.446 12.441 -3.735 1.00 0.74 C HETATM 2516 CG MLE B 202 -10.128 12.966 -2.469 1.00 1.09 C HETATM 2517 CD1 MLE B 202 -9.344 12.564 -1.218 1.00 2.62 C HETATM 2518 CD2 MLE B 202 -10.343 14.478 -2.549 1.00 1.09 C HETATM 2519 C MLE B 202 -7.199 12.244 -4.949 1.00 0.72 C HETATM 2520 O MLE B 202 -7.630 11.248 -5.529 1.00 0.69 O HETATM 0 HD23 MLE B 202 -9.380 14.977 -2.660 1.00 1.09 H new HETATM 0 HD22 MLE B 202 -10.973 14.711 -3.407 1.00 1.09 H new HETATM 0 HD21 MLE B 202 -10.829 14.825 -1.637 1.00 1.09 H new HETATM 0 HD13 MLE B 202 -9.286 11.477 -1.159 1.00 2.62 H new HETATM 0 HD12 MLE B 202 -8.337 12.979 -1.270 1.00 2.62 H new HETATM 0 HD11 MLE B 202 -9.849 12.949 -0.332 1.00 2.62 H new HETATM 0 HN3 MLE B 202 -8.659 13.506 -7.090 1.00 0.92 H new HETATM 0 HN2 MLE B 202 -10.226 13.659 -6.260 1.00 0.92 H new HETATM 0 HN1 MLE B 202 -9.415 15.107 -6.903 1.00 0.92 H new HETATM 0 HG MLE B 202 -11.113 12.505 -2.395 1.00 1.09 H new HETATM 0 HB3 MLE B 202 -10.145 12.535 -4.566 1.00 0.74 H new HETATM 0 HB2 MLE B 202 -9.249 11.377 -3.603 1.00 0.74 H new HETATM 0 HA MLE B 202 -7.626 13.350 -3.187 1.00 0.75 H new HETATM 2531 N MLE B 203 -5.935 12.639 -4.976 1.00 0.78 N HETATM 2532 CN MLE B 203 -5.320 14.119 -4.135 1.00 0.90 C HETATM 2533 CA MLE B 203 -4.930 11.885 -5.706 1.00 0.80 C HETATM 2534 CB MLE B 203 -4.201 12.788 -6.703 1.00 0.81 C HETATM 2535 CG MLE B 203 -5.078 13.764 -7.489 1.00 0.80 C HETATM 2536 CD1 MLE B 203 -4.257 14.518 -8.536 1.00 0.85 C HETATM 2537 CD2 MLE B 203 -6.279 13.046 -8.109 1.00 0.75 C HETATM 2538 C MLE B 203 -3.998 11.190 -4.711 1.00 0.86 C HETATM 2539 O MLE B 203 -3.937 11.570 -3.542 1.00 0.97 O HETATM 0 HD23 MLE B 203 -5.928 12.268 -8.787 1.00 0.75 H new HETATM 0 HD22 MLE B 203 -6.880 12.594 -7.320 1.00 0.75 H new HETATM 0 HD21 MLE B 203 -6.886 13.763 -8.662 1.00 0.75 H new HETATM 0 HD13 MLE B 203 -3.465 15.081 -8.041 1.00 0.85 H new HETATM 0 HD12 MLE B 203 -3.815 13.806 -9.233 1.00 0.85 H new HETATM 0 HD11 MLE B 203 -4.905 15.205 -9.081 1.00 0.85 H new HETATM 0 HN3 MLE B 203 -4.556 13.835 -3.411 1.00 0.90 H new HETATM 0 HN2 MLE B 203 -4.889 14.801 -4.868 1.00 0.90 H new HETATM 0 HN1 MLE B 203 -6.143 14.613 -3.619 1.00 0.90 H new HETATM 0 HG MLE B 203 -5.471 14.506 -6.794 1.00 0.80 H new HETATM 0 HB3 MLE B 203 -3.449 13.362 -6.161 1.00 0.81 H new HETATM 0 HB2 MLE B 203 -3.669 12.156 -7.414 1.00 0.81 H new HETATM 0 HA MLE B 203 -5.400 11.104 -6.304 1.00 0.80 H new HETATM 2550 N MVA B 204 -3.298 10.182 -5.209 1.00 0.85 N HETATM 2551 CN MVA B 204 -3.432 9.605 -6.920 1.00 0.85 C HETATM 2552 CA MVA B 204 -2.345 9.454 -4.388 1.00 0.91 C HETATM 2553 CB MVA B 204 -2.902 8.071 -4.043 1.00 1.01 C HETATM 2554 CG1 MVA B 204 -2.193 7.485 -2.821 1.00 1.27 C HETATM 2555 CG2 MVA B 204 -4.416 8.129 -3.823 1.00 0.86 C HETATM 2556 C MVA B 204 -0.998 9.392 -5.111 1.00 0.91 C HETATM 2557 O MVA B 204 -0.661 8.375 -5.717 1.00 0.96 O HETATM 0 HG23 MVA B 204 -4.638 8.810 -3.002 1.00 0.86 H new HETATM 0 HG22 MVA B 204 -4.902 8.485 -4.731 1.00 0.86 H new HETATM 0 HG21 MVA B 204 -4.787 7.133 -3.579 1.00 0.86 H new HETATM 0 HG13 MVA B 204 -1.127 7.391 -3.029 1.00 1.27 H new HETATM 0 HG12 MVA B 204 -2.339 8.144 -1.965 1.00 1.27 H new HETATM 0 HG11 MVA B 204 -2.607 6.502 -2.597 1.00 1.27 H new HETATM 0 HN3 MVA B 204 -2.463 9.696 -7.412 1.00 0.85 H new HETATM 0 HN2 MVA B 204 -3.746 8.561 -6.928 1.00 0.85 H new HETATM 0 HN1 MVA B 204 -4.167 10.210 -7.451 1.00 0.85 H new HETATM 0 HB MVA B 204 -2.711 7.412 -4.890 1.00 1.01 H new HETATM 0 HA MVA B 204 -2.183 9.971 -3.442 1.00 0.91 H new HETATM 2566 N BMT B 205 -0.265 10.538 -5.081 1.00 0.93 N HETATM 2567 CN BMT B 205 -0.422 11.699 -3.702 1.00 1.03 C HETATM 2568 CA BMT B 205 0.999 10.599 -5.795 1.00 0.94 C HETATM 2569 C BMT B 205 2.166 10.367 -4.833 1.00 0.94 C HETATM 2570 O BMT B 205 1.961 9.967 -3.687 1.00 1.01 O HETATM 2571 CB BMT B 205 1.069 11.944 -6.520 1.00 1.11 C HETATM 2572 OG1 BMT B 205 1.067 12.906 -5.469 1.00 1.24 O HETATM 2573 CG2 BMT B 205 -0.207 12.251 -7.307 1.00 1.19 C HETATM 2574 CD1 BMT B 205 -0.481 11.145 -8.330 1.00 1.22 C HETATM 2575 CD2 BMT B 205 -0.283 13.605 -7.869 1.00 1.67 C HETATM 2576 CE BMT B 205 0.888 14.101 -8.570 1.00 1.41 C HETATM 2577 CZ BMT B 205 1.250 13.994 -9.785 1.00 1.55 C HETATM 2578 CH BMT B 205 2.505 14.460 -10.480 1.00 1.58 C HETATM 0 HD23 BMT B 205 -1.127 13.638 -8.557 1.00 1.67 H new HETATM 0 HD22 BMT B 205 -0.507 14.296 -7.056 1.00 1.67 H new HETATM 0 HD13 BMT B 205 0.356 11.076 -9.024 1.00 1.22 H new HETATM 0 HD12 BMT B 205 -0.603 10.193 -7.813 1.00 1.22 H new HETATM 0 HD11 BMT B 205 -1.392 11.377 -8.882 1.00 1.22 H new HETATM 0 HZ BMT B 205 0.536 13.481 -10.430 1.00 1.55 H new HETATM 0 HN3 BMT B 205 0.360 11.501 -2.969 1.00 1.03 H new HETATM 0 HN2 BMT B 205 -0.322 12.719 -4.072 1.00 1.03 H new HETATM 0 HN1 BMT B 205 -1.398 11.577 -3.233 1.00 1.03 H new HETATM 0 HH3 BMT B 205 2.590 15.543 -10.389 1.00 1.58 H new HETATM 0 HH2 BMT B 205 3.373 13.988 -10.019 1.00 1.58 H new HETATM 0 HH1 BMT B 205 2.460 14.187 -11.534 1.00 1.58 H new HETATM 0 HG2 BMT B 205 -1.021 12.252 -6.582 1.00 1.19 H new HETATM 0 HG1 BMT B 205 0.222 13.401 -5.481 1.00 1.24 H new HETATM 0 HE BMT B 205 1.580 14.665 -7.944 1.00 1.41 H new HETATM 0 HB BMT B 205 1.924 11.947 -7.197 1.00 1.11 H new HETATM 0 HA BMT B 205 1.070 9.807 -6.541 1.00 0.94 H new HETATM 2593 N ABA B 206 3.365 10.629 -5.332 1.00 0.98 N HETATM 2594 CA ABA B 206 4.571 10.345 -4.574 1.00 1.09 C HETATM 2595 C ABA B 206 5.606 11.452 -4.784 1.00 1.14 C HETATM 2596 O ABA B 206 6.600 11.254 -5.480 1.00 1.23 O HETATM 2597 CB ABA B 206 5.073 8.959 -4.983 1.00 1.23 C HETATM 2598 CG ABA B 206 3.968 7.901 -4.941 1.00 1.15 C HETATM 0 HG3 ABA B 206 3.168 8.183 -5.625 1.00 1.15 H new HETATM 0 HG2 ABA B 206 3.571 7.829 -3.928 1.00 1.15 H new HETATM 0 HG1 ABA B 206 4.377 6.936 -5.240 1.00 1.15 H new HETATM 0 HB3 ABA B 206 5.884 8.659 -4.320 1.00 1.23 H new HETATM 0 HB2 ABA B 206 5.487 9.008 -5.990 1.00 1.23 H new HETATM 0 HA ABA B 206 4.369 10.330 -3.503 1.00 1.09 H new HETATM 0 H ABA B 206 3.306 11.475 -5.899 1.00 0.98 H new HETATM 2606 N SAR B 207 5.337 12.594 -4.167 1.00 1.11 N HETATM 2607 CA SAR B 207 6.247 13.768 -4.295 1.00 1.19 C HETATM 2608 C SAR B 207 5.667 15.193 -4.298 1.00 1.22 C HETATM 2609 O SAR B 207 6.124 16.170 -3.723 1.00 1.36 O HETATM 2610 CN SAR B 207 3.795 12.641 -3.159 1.00 1.07 C HETATM 0 HN3 SAR B 207 4.045 12.862 -2.121 1.00 1.07 H new HETATM 0 HN2 SAR B 207 3.132 13.415 -3.545 1.00 1.07 H new HETATM 0 HN1 SAR B 207 3.295 11.674 -3.214 1.00 1.07 H new HETATM 0 HA3 SAR B 207 6.966 13.712 -3.477 1.00 1.19 H new HETATM 0 HA2 SAR B 207 6.808 13.644 -5.221 1.00 1.19 H new HETATM 2613 N MLE B 208 4.558 15.345 -5.006 1.00 1.14 N HETATM 2614 CN MLE B 208 3.657 14.296 -6.174 1.00 1.06 C HETATM 2615 CA MLE B 208 3.963 16.649 -4.767 1.00 1.23 C HETATM 2616 CB MLE B 208 4.582 17.698 -5.692 1.00 1.35 C HETATM 2617 CG MLE B 208 3.743 18.954 -5.941 1.00 1.84 C HETATM 2618 CD1 MLE B 208 3.525 19.733 -4.642 1.00 3.54 C HETATM 2619 CD2 MLE B 208 4.368 19.823 -7.034 1.00 2.31 C HETATM 2620 C MLE B 208 2.442 16.541 -4.892 1.00 1.13 C HETATM 2621 O MLE B 208 1.903 16.558 -5.998 1.00 1.34 O HETATM 0 HD23 MLE B 208 5.369 20.127 -6.729 1.00 2.31 H new HETATM 0 HD22 MLE B 208 4.428 19.254 -7.962 1.00 2.31 H new HETATM 0 HD21 MLE B 208 3.752 20.709 -7.191 1.00 2.31 H new HETATM 0 HD13 MLE B 208 3.004 19.102 -3.922 1.00 3.54 H new HETATM 0 HD12 MLE B 208 4.489 20.032 -4.231 1.00 3.54 H new HETATM 0 HD11 MLE B 208 2.926 20.621 -4.846 1.00 3.54 H new HETATM 0 HN3 MLE B 208 2.650 14.115 -5.799 1.00 1.06 H new HETATM 0 HN2 MLE B 208 3.600 14.795 -7.141 1.00 1.06 H new HETATM 0 HN1 MLE B 208 4.178 13.345 -6.286 1.00 1.06 H new HETATM 0 HG MLE B 208 2.761 18.645 -6.299 1.00 1.84 H new HETATM 0 HB3 MLE B 208 5.540 18.003 -5.272 1.00 1.35 H new HETATM 0 HB2 MLE B 208 4.790 17.228 -6.653 1.00 1.35 H new HETATM 0 HA MLE B 208 4.178 16.985 -3.753 1.00 1.23 H new ATOM 2632 N VAL B 209 1.792 16.433 -3.742 1.00 1.09 N ATOM 2633 CA VAL B 209 0.353 16.232 -3.713 1.00 0.99 C ATOM 2634 C VAL B 209 -0.346 17.505 -4.194 1.00 1.09 C ATOM 2635 O VAL B 209 0.069 18.612 -3.853 1.00 1.36 O ATOM 2636 CB VAL B 209 -0.086 15.802 -2.311 1.00 1.13 C ATOM 2637 CG1 VAL B 209 -1.592 15.538 -2.265 1.00 1.09 C ATOM 2638 CG2 VAL B 209 0.700 14.577 -1.841 1.00 1.23 C ATOM 0 H VAL B 209 2.235 16.481 -2.824 1.00 1.09 H new ATOM 0 HA VAL B 209 0.066 15.428 -4.391 1.00 0.99 H new ATOM 0 HB VAL B 209 0.132 16.622 -1.626 1.00 1.13 H new ATOM 0 HG11 VAL B 209 -1.878 15.234 -1.258 1.00 1.09 H new ATOM 0 HG12 VAL B 209 -2.129 16.447 -2.536 1.00 1.09 H new ATOM 0 HG13 VAL B 209 -1.844 14.745 -2.969 1.00 1.09 H new ATOM 0 HG21 VAL B 209 0.368 14.293 -0.842 1.00 1.23 H new ATOM 0 HG22 VAL B 209 0.529 13.749 -2.529 1.00 1.23 H new ATOM 0 HG23 VAL B 209 1.763 14.815 -1.816 1.00 1.23 H new HETATM 2648 N MLE B 210 -1.393 17.305 -4.980 1.00 1.01 N HETATM 2649 CN MLE B 210 -2.012 15.670 -5.446 1.00 0.95 C HETATM 2650 CA MLE B 210 -2.137 18.424 -5.534 1.00 1.21 C HETATM 2651 CB MLE B 210 -2.111 18.380 -7.063 1.00 1.39 C HETATM 2652 CG MLE B 210 -0.792 17.934 -7.698 1.00 1.51 C HETATM 2653 CD1 MLE B 210 -0.992 17.553 -9.167 1.00 1.80 C HETATM 2654 CD2 MLE B 210 0.289 19.004 -7.525 1.00 1.71 C HETATM 2655 C MLE B 210 -3.549 18.435 -4.943 1.00 1.15 C HETATM 2656 O MLE B 210 -3.853 17.661 -4.038 1.00 1.01 O HETATM 0 HD23 MLE B 210 -0.034 19.928 -8.004 1.00 1.71 H new HETATM 0 HD22 MLE B 210 0.456 19.184 -6.463 1.00 1.71 H new HETATM 0 HD21 MLE B 210 1.216 18.662 -7.985 1.00 1.71 H new HETATM 0 HD13 MLE B 210 -1.708 16.734 -9.236 1.00 1.80 H new HETATM 0 HD12 MLE B 210 -1.371 18.414 -9.718 1.00 1.80 H new HETATM 0 HD11 MLE B 210 -0.040 17.240 -9.595 1.00 1.80 H new HETATM 0 HN3 MLE B 210 -3.041 15.560 -5.105 1.00 0.95 H new HETATM 0 HN2 MLE B 210 -1.976 15.563 -6.530 1.00 0.95 H new HETATM 0 HN1 MLE B 210 -1.392 14.901 -4.984 1.00 0.95 H new HETATM 0 HG MLE B 210 -0.447 17.040 -7.178 1.00 1.51 H new HETATM 0 HB3 MLE B 210 -2.900 17.708 -7.401 1.00 1.39 H new HETATM 0 HB2 MLE B 210 -2.355 19.373 -7.440 1.00 1.39 H new HETATM 0 HA MLE B 210 -1.668 19.368 -5.257 1.00 1.21 H new ATOM 2667 N ALA B 211 -4.372 19.323 -5.481 1.00 1.34 N ATOM 2668 CA ALA B 211 -5.758 19.413 -5.051 1.00 1.34 C ATOM 2669 C ALA B 211 -6.527 18.194 -5.563 1.00 1.17 C ATOM 2670 O ALA B 211 -6.136 17.582 -6.556 1.00 1.17 O ATOM 2671 CB ALA B 211 -6.360 20.731 -5.544 1.00 1.56 C ATOM 0 H ALA B 211 -4.107 19.986 -6.210 1.00 1.34 H new ATOM 0 HA ALA B 211 -5.823 19.410 -3.963 1.00 1.34 H new ATOM 0 HB1 ALA B 211 -7.399 20.799 -5.222 1.00 1.56 H new ATOM 0 HB2 ALA B 211 -5.796 21.566 -5.129 1.00 1.56 H new ATOM 0 HB3 ALA B 211 -6.314 20.767 -6.632 1.00 1.56 H new TER 2677 ALA B 211