USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 THR OG1 : rot 180:sc= 0.00215 USER MOD Set 1.2: A 145 MET CE :methyl -163:sc= -0.52 (180deg=-1.13) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 149:sc= 0.0673 (180deg=-0.938) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc= -1.23 (180deg=-1.08) USER MOD Set 3.2: A 32 MET CE :methyl -115:sc= -2.99! (180deg=-6.51!) USER MOD Set 3.3: A 55 LYS NZ :NH3+ -125:sc= -0.044 (180deg=-0.421) USER MOD Set 4.1: A 21 ASN :FLIP amide:sc= -4.6! C(o=-12!,f=-6.7!) USER MOD Set 4.2: A 99 TYR OH : rot 150:sc= -0.385 USER MOD Set 4.3: A 110 HIS : no HD1:sc= -1.21! C(o=-6.7!,f=-16!) USER MOD Set 4.4: A 142 MET CE :methyl 143:sc= -0.508 (180deg=-2.6!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.229 (180deg=-1.39!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -31:sc= 0.245 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 164:sc=-0.000394 (180deg=-0.113) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 130:sc= -1.21 USER MOD Single : A 22 THR OG1 : rot -82:sc= -0.734! USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= -1.64! (180deg=-4.75!) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -0.841 (180deg=-2.1!) USER MOD Single : A 34 MET CE :methyl -171:sc= -3.79! (180deg=-4.1!) USER MOD Single : A 36 MET CE :methyl -104:sc= -2.12 (180deg=-4.46!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.377 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 14:sc= 0.817 USER MOD Single : A 51 TYR OH : rot 61:sc= -0.4 USER MOD Single : A 57 ASN : amide:sc= -0.322 K(o=-0.32,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -46:sc= -0.284 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 72:sc= 0.711 USER MOD Single : A 82 LYS NZ :NH3+ -158:sc= -1.07 (180deg=-1.78) USER MOD Single : A 83 LYS NZ :NH3+ -132:sc= -1.85 (180deg=-7.89!) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= -0.824 (180deg=-1.08) USER MOD Single : A 90 THR OG1 : rot -142:sc= 0.0699 USER MOD Single : A 92 TYR OH : rot 180:sc= -2.32! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 78:sc= 0.448 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 62:sc= 0.72 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 164:sc= -2.21 (180deg=-4.13!) USER MOD Single : A 112 MET CE :methyl -122:sc= -1.29 (180deg=-1.9) USER MOD Single : A 115 TYR OH : rot 70:sc= -0.526 USER MOD Single : A 116 SER OG : rot -147:sc= 1.84 USER MOD Single : A 118 SER OG : rot 180:sc= -0.575 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 130:sc= -2.22 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.777 USER MOD Single : A 149 GLN : amide:sc= -6.96! C(o=-7!,f=-16!) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 140:sc= -0.78 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.498 18.088 -23.633 1.00 0.00 N ATOM 2 CA MET A 1 2.244 19.214 -22.692 1.00 52.33 C ATOM 3 C MET A 1 0.825 19.737 -22.898 1.00 51.04 C ATOM 4 O MET A 1 0.554 20.461 -23.856 1.00 30.31 O ATOM 5 CB MET A 1 3.256 20.332 -22.955 1.00 13.13 C ATOM 6 CG MET A 1 3.127 21.404 -21.870 1.00 61.45 C ATOM 7 SD MET A 1 4.203 22.803 -22.273 1.00 3.13 S ATOM 8 CE MET A 1 5.778 21.919 -22.158 1.00 53.23 C ATOM 0 H1 MET A 1 3.465 17.731 -23.494 1.00 0.00 H new ATOM 0 H2 MET A 1 1.817 17.324 -23.452 1.00 0.00 H new ATOM 0 H3 MET A 1 2.390 18.423 -24.612 1.00 0.00 H new ATOM 0 HA MET A 1 2.351 18.867 -21.664 1.00 52.33 H new ATOM 0 HB2 MET A 1 4.268 19.927 -22.962 1.00 13.13 H new ATOM 0 HB3 MET A 1 3.082 20.771 -23.937 1.00 13.13 H new ATOM 0 HG2 MET A 1 2.092 21.737 -21.794 1.00 61.45 H new ATOM 0 HG3 MET A 1 3.400 20.989 -20.900 1.00 61.45 H new ATOM 0 HE1 MET A 1 6.567 22.617 -21.877 1.00 53.23 H new ATOM 0 HE2 MET A 1 5.701 21.136 -21.404 1.00 53.23 H new ATOM 0 HE3 MET A 1 6.015 21.472 -23.123 1.00 53.23 H new ATOM 20 N THR A 2 -0.073 19.365 -21.992 1.00 3.32 N ATOM 21 CA THR A 2 -1.462 19.801 -22.082 1.00 31.51 C ATOM 22 C THR A 2 -2.143 19.698 -20.721 1.00 71.12 C ATOM 23 O THR A 2 -2.550 20.704 -20.140 1.00 74.10 O ATOM 24 CB THR A 2 -2.217 18.943 -23.098 1.00 64.55 C ATOM 25 OG1 THR A 2 -1.438 18.818 -24.280 1.00 52.22 O ATOM 26 CG2 THR A 2 -3.555 19.603 -23.435 1.00 22.21 C ATOM 0 H THR A 2 0.134 18.767 -21.192 1.00 3.32 H new ATOM 0 HA THR A 2 -1.476 20.841 -22.407 1.00 31.51 H new ATOM 0 HB THR A 2 -2.399 17.955 -22.675 1.00 64.55 H new ATOM 0 HG1 THR A 2 -0.904 19.630 -24.407 1.00 52.22 H new ATOM 0 HG21 THR A 2 -4.091 18.990 -24.159 1.00 22.21 H new ATOM 0 HG22 THR A 2 -4.152 19.699 -22.528 1.00 22.21 H new ATOM 0 HG23 THR A 2 -3.377 20.592 -23.858 1.00 22.21 H new ATOM 34 N VAL A 3 -2.258 18.474 -20.215 1.00 51.41 N ATOM 35 CA VAL A 3 -2.888 18.249 -18.919 1.00 50.35 C ATOM 36 C VAL A 3 -2.090 18.949 -17.816 1.00 51.14 C ATOM 37 O VAL A 3 -0.878 19.125 -17.944 1.00 15.20 O ATOM 38 CB VAL A 3 -2.953 16.744 -18.633 1.00 31.51 C ATOM 39 CG1 VAL A 3 -4.090 16.115 -19.443 1.00 44.41 C ATOM 40 CG2 VAL A 3 -1.627 16.094 -19.035 1.00 4.21 C ATOM 0 H VAL A 3 -1.926 17.628 -20.679 1.00 51.41 H new ATOM 0 HA VAL A 3 -3.898 18.659 -18.939 1.00 50.35 H new ATOM 0 HB VAL A 3 -3.134 16.585 -17.570 1.00 31.51 H new ATOM 0 HG11 VAL A 3 -4.134 15.045 -19.238 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -5.036 16.578 -19.162 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -3.910 16.274 -20.506 1.00 44.41 H new ATOM 0 HG21 VAL A 3 -1.670 15.024 -18.833 1.00 4.21 H new ATOM 0 HG22 VAL A 3 -1.450 16.255 -20.098 1.00 4.21 H new ATOM 0 HG23 VAL A 3 -0.815 16.539 -18.461 1.00 4.21 H new ATOM 50 N PRO A 4 -2.733 19.347 -16.744 1.00 73.12 N ATOM 51 CA PRO A 4 -2.053 20.034 -15.613 1.00 12.34 C ATOM 52 C PRO A 4 -0.649 19.487 -15.365 1.00 15.51 C ATOM 53 O PRO A 4 -0.424 18.278 -15.418 1.00 74.25 O ATOM 54 CB PRO A 4 -2.979 19.746 -14.432 1.00 35.35 C ATOM 55 CG PRO A 4 -4.350 19.663 -15.029 1.00 23.14 C ATOM 56 CD PRO A 4 -4.177 19.191 -16.483 1.00 53.44 C ATOM 0 HA PRO A 4 -1.902 21.098 -15.798 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.707 18.815 -13.935 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -2.921 20.536 -13.683 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -4.974 18.966 -14.469 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -4.846 20.633 -14.994 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -4.495 18.156 -16.606 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -4.773 19.791 -17.170 1.00 53.44 H new ATOM 64 N ASP A 5 0.292 20.387 -15.095 1.00 12.22 N ATOM 65 CA ASP A 5 1.671 19.984 -14.844 1.00 22.15 C ATOM 66 C ASP A 5 1.749 19.063 -13.630 1.00 22.21 C ATOM 67 O ASP A 5 1.121 19.319 -12.602 1.00 60.12 O ATOM 68 CB ASP A 5 2.540 21.219 -14.604 1.00 34.44 C ATOM 69 CG ASP A 5 2.621 22.056 -15.876 1.00 21.53 C ATOM 70 OD1 ASP A 5 2.235 21.551 -16.918 1.00 50.33 O ATOM 71 OD2 ASP A 5 3.067 23.188 -15.791 1.00 32.44 O ATOM 0 H ASP A 5 0.127 21.392 -15.045 1.00 12.22 H new ATOM 0 HA ASP A 5 2.036 19.446 -15.719 1.00 22.15 H new ATOM 0 HB2 ASP A 5 2.123 21.815 -13.793 1.00 34.44 H new ATOM 0 HB3 ASP A 5 3.540 20.915 -14.295 1.00 34.44 H new ATOM 76 N ARG A 6 2.528 17.994 -13.755 1.00 61.24 N ATOM 77 CA ARG A 6 2.686 17.044 -12.660 1.00 11.45 C ATOM 78 C ARG A 6 3.563 17.648 -11.566 1.00 51.04 C ATOM 79 O ARG A 6 3.474 17.266 -10.399 1.00 22.12 O ATOM 80 CB ARG A 6 3.314 15.741 -13.179 1.00 11.40 C ATOM 81 CG ARG A 6 4.292 16.050 -14.326 1.00 43.01 C ATOM 82 CD ARG A 6 3.555 16.012 -15.673 1.00 14.15 C ATOM 83 NE ARG A 6 3.476 14.642 -16.167 1.00 25.21 N ATOM 84 CZ ARG A 6 4.511 14.070 -16.774 1.00 74.32 C ATOM 85 NH1 ARG A 6 5.622 14.736 -16.936 1.00 62.45 N ATOM 86 NH2 ARG A 6 4.417 12.842 -17.206 1.00 72.43 N ATOM 0 H ARG A 6 3.056 17.765 -14.597 1.00 61.24 H new ATOM 0 HA ARG A 6 1.704 16.820 -12.242 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.838 15.233 -12.370 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.533 15.065 -13.528 1.00 11.40 H new ATOM 0 HG2 ARG A 6 4.742 17.032 -14.176 1.00 43.01 H new ATOM 0 HG3 ARG A 6 5.105 15.324 -14.327 1.00 43.01 H new ATOM 0 HD2 ARG A 6 2.552 16.423 -15.558 1.00 14.15 H new ATOM 0 HD3 ARG A 6 4.075 16.638 -16.398 1.00 14.15 H new ATOM 0 HE ARG A 6 2.612 14.114 -16.045 1.00 25.21 H new ATOM 0 HH11 ARG A 6 5.696 15.695 -16.597 1.00 62.45 H new ATOM 0 HH12 ARG A 6 6.416 14.297 -17.402 1.00 62.45 H new ATOM 0 HH21 ARG A 6 3.549 12.321 -17.078 1.00 72.43 H new ATOM 0 HH22 ARG A 6 5.211 12.403 -17.672 1.00 72.43 H new ATOM 100 N SER A 7 4.405 18.597 -11.955 1.00 24.50 N ATOM 101 CA SER A 7 5.295 19.259 -11.010 1.00 15.21 C ATOM 102 C SER A 7 4.494 19.906 -9.884 1.00 62.44 C ATOM 103 O SER A 7 4.975 20.027 -8.757 1.00 0.01 O ATOM 104 CB SER A 7 6.119 20.325 -11.730 1.00 52.42 C ATOM 105 OG SER A 7 6.797 19.733 -12.830 1.00 23.24 O ATOM 0 H SER A 7 4.490 18.925 -12.917 1.00 24.50 H new ATOM 0 HA SER A 7 5.963 18.511 -10.582 1.00 15.21 H new ATOM 0 HB2 SER A 7 5.470 21.129 -12.078 1.00 52.42 H new ATOM 0 HB3 SER A 7 6.838 20.771 -11.043 1.00 52.42 H new ATOM 0 HG SER A 7 7.325 20.415 -13.295 1.00 23.24 H new ATOM 111 N GLU A 8 3.278 20.337 -10.203 1.00 55.43 N ATOM 112 CA GLU A 8 2.423 20.992 -9.218 1.00 74.40 C ATOM 113 C GLU A 8 2.162 20.084 -8.018 1.00 61.42 C ATOM 114 O GLU A 8 2.375 20.487 -6.875 1.00 24.35 O ATOM 115 CB GLU A 8 1.091 21.378 -9.871 1.00 43.14 C ATOM 116 CG GLU A 8 0.248 22.208 -8.896 1.00 42.40 C ATOM 117 CD GLU A 8 0.937 23.538 -8.608 1.00 53.01 C ATOM 118 OE1 GLU A 8 1.704 23.980 -9.446 1.00 45.21 O ATOM 119 OE2 GLU A 8 0.685 24.096 -7.551 1.00 42.34 O ATOM 0 H GLU A 8 2.864 20.246 -11.131 1.00 55.43 H new ATOM 0 HA GLU A 8 2.936 21.886 -8.862 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.275 21.948 -10.781 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.546 20.480 -10.162 1.00 43.14 H new ATOM 0 HG2 GLU A 8 -0.741 22.386 -9.319 1.00 42.40 H new ATOM 0 HG3 GLU A 8 0.103 21.656 -7.967 1.00 42.40 H new ATOM 126 N ILE A 9 1.696 18.862 -8.271 1.00 32.20 N ATOM 127 CA ILE A 9 1.415 17.934 -7.178 1.00 44.52 C ATOM 128 C ILE A 9 2.680 17.207 -6.734 1.00 71.22 C ATOM 129 O ILE A 9 2.817 16.851 -5.564 1.00 34.23 O ATOM 130 CB ILE A 9 0.361 16.900 -7.594 1.00 12.34 C ATOM 131 CG1 ILE A 9 -0.084 16.124 -6.336 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.970 15.947 -8.627 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.994 14.935 -6.692 1.00 22.25 C ATOM 0 H ILE A 9 1.508 18.497 -9.205 1.00 32.20 H new ATOM 0 HA ILE A 9 1.032 18.524 -6.345 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.504 17.390 -8.041 1.00 12.34 H new ATOM 0 HG12 ILE A 9 0.795 15.762 -5.802 1.00 51.22 H new ATOM 0 HG13 ILE A 9 -0.613 16.797 -5.661 1.00 51.22 H new ATOM 0 HG21 ILE A 9 0.225 15.210 -8.926 1.00 71.51 H new ATOM 0 HG22 ILE A 9 1.290 16.514 -9.501 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.829 15.438 -8.190 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -1.286 14.414 -5.780 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.885 15.299 -7.203 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -0.456 14.248 -7.346 1.00 22.25 H new ATOM 145 N ALA A 10 3.602 16.978 -7.664 1.00 72.21 N ATOM 146 CA ALA A 10 4.830 16.278 -7.307 1.00 65.35 C ATOM 147 C ALA A 10 5.728 17.170 -6.469 1.00 33.31 C ATOM 148 O ALA A 10 5.855 18.368 -6.723 1.00 3.55 O ATOM 149 CB ALA A 10 5.577 15.760 -8.541 1.00 40.42 C ATOM 0 H ALA A 10 3.527 17.257 -8.642 1.00 72.21 H new ATOM 0 HA ALA A 10 4.548 15.408 -6.714 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.485 15.245 -8.227 1.00 40.42 H new ATOM 0 HB2 ALA A 10 4.938 15.067 -9.089 1.00 40.42 H new ATOM 0 HB3 ALA A 10 5.840 16.599 -9.186 1.00 40.42 H new ATOM 155 N GLY A 11 6.337 16.570 -5.451 1.00 73.14 N ATOM 156 CA GLY A 11 7.215 17.289 -4.539 1.00 23.13 C ATOM 157 C GLY A 11 6.651 17.231 -3.123 1.00 62.21 C ATOM 158 O GLY A 11 7.402 17.196 -2.148 1.00 2.41 O ATOM 0 H GLY A 11 6.236 15.578 -5.237 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.213 16.852 -4.561 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.315 18.326 -4.858 1.00 23.13 H new ATOM 162 N LYS A 12 5.321 17.207 -3.018 1.00 50.22 N ATOM 163 CA LYS A 12 4.676 17.135 -1.711 1.00 64.23 C ATOM 164 C LYS A 12 3.204 16.730 -1.827 1.00 33.14 C ATOM 165 O LYS A 12 2.371 17.516 -2.278 1.00 23.54 O ATOM 166 CB LYS A 12 4.776 18.488 -1.006 1.00 54.11 C ATOM 167 CG LYS A 12 4.420 18.320 0.473 1.00 51.14 C ATOM 168 CD LYS A 12 4.463 19.682 1.169 1.00 1.44 C ATOM 169 CE LYS A 12 4.489 19.481 2.687 1.00 14.14 C ATOM 170 NZ LYS A 12 5.864 19.090 3.111 1.00 61.31 N ATOM 0 H LYS A 12 4.680 17.236 -3.811 1.00 50.22 H new ATOM 0 HA LYS A 12 5.193 16.372 -1.130 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.785 18.888 -1.105 1.00 54.11 H new ATOM 0 HB3 LYS A 12 4.102 19.205 -1.474 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.427 17.881 0.571 1.00 51.14 H new ATOM 0 HG3 LYS A 12 5.120 17.634 0.950 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.345 20.237 0.850 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.593 20.275 0.885 1.00 1.44 H new ATOM 0 HE2 LYS A 12 4.188 20.399 3.192 1.00 14.14 H new ATOM 0 HE3 LYS A 12 3.775 18.710 2.975 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 5.959 19.215 4.139 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 6.032 18.093 2.867 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 6.561 19.688 2.623 1.00 61.31 H new ATOM 184 N TRP A 13 2.882 15.514 -1.380 1.00 70.35 N ATOM 185 CA TRP A 13 1.501 15.023 -1.394 1.00 13.43 C ATOM 186 C TRP A 13 1.049 14.878 0.060 1.00 24.03 C ATOM 187 O TRP A 13 1.753 14.262 0.860 1.00 52.23 O ATOM 188 CB TRP A 13 1.474 13.628 -2.053 1.00 71.25 C ATOM 189 CG TRP A 13 1.680 13.703 -3.508 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.649 14.386 -4.144 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.910 13.019 -4.527 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.527 14.147 -5.492 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.482 13.297 -5.771 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.213 12.174 -4.482 1.00 10.34 C ATOM 195 CZ2 TRP A 13 0.978 12.758 -6.944 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.734 11.630 -5.666 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.133 11.915 -6.897 1.00 42.33 C ATOM 0 H TRP A 13 3.559 14.850 -1.003 1.00 70.35 H new ATOM 0 HA TRP A 13 0.853 15.707 -1.943 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.248 13.002 -1.609 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.518 13.148 -1.846 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.394 15.013 -3.676 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.138 14.552 -6.201 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.676 11.943 -3.534 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.443 12.989 -7.891 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.602 10.989 -5.627 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.527 11.485 -7.806 1.00 42.33 H new ATOM 208 N TYR A 14 -0.089 15.471 0.429 1.00 55.13 N ATOM 209 CA TYR A 14 -0.548 15.409 1.822 1.00 3.33 C ATOM 210 C TYR A 14 -1.640 14.358 2.018 1.00 31.42 C ATOM 211 O TYR A 14 -2.691 14.423 1.392 1.00 34.32 O ATOM 212 CB TYR A 14 -1.084 16.796 2.238 1.00 20.12 C ATOM 213 CG TYR A 14 -0.218 17.398 3.324 1.00 42.10 C ATOM 214 CD1 TYR A 14 -0.231 16.852 4.612 1.00 62.44 C ATOM 215 CD2 TYR A 14 0.590 18.506 3.042 1.00 33.50 C ATOM 216 CE1 TYR A 14 0.565 17.412 5.617 1.00 44.23 C ATOM 217 CE2 TYR A 14 1.385 19.066 4.047 1.00 51.12 C ATOM 218 CZ TYR A 14 1.373 18.520 5.335 1.00 0.24 C ATOM 219 OH TYR A 14 2.157 19.072 6.327 1.00 12.22 O ATOM 0 H TYR A 14 -0.700 15.990 -0.202 1.00 55.13 H new ATOM 0 HA TYR A 14 0.299 15.123 2.445 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -1.104 17.458 1.373 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.110 16.704 2.593 1.00 20.12 H new ATOM 0 HD1 TYR A 14 -0.855 15.998 4.830 1.00 62.44 H new ATOM 0 HD2 TYR A 14 0.599 18.928 2.048 1.00 33.50 H new ATOM 0 HE1 TYR A 14 0.556 16.989 6.611 1.00 44.23 H new ATOM 0 HE2 TYR A 14 2.009 19.920 3.829 1.00 51.12 H new ATOM 0 HH TYR A 14 2.656 19.833 5.964 1.00 12.22 H new ATOM 229 N VAL A 15 -1.387 13.423 2.933 1.00 31.05 N ATOM 230 CA VAL A 15 -2.357 12.376 3.263 1.00 33.51 C ATOM 231 C VAL A 15 -3.182 12.828 4.466 1.00 44.40 C ATOM 232 O VAL A 15 -2.618 13.263 5.468 1.00 12.25 O ATOM 233 CB VAL A 15 -1.623 11.074 3.598 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.623 10.035 4.112 1.00 11.52 C ATOM 235 CG2 VAL A 15 -0.929 10.533 2.344 1.00 55.14 C ATOM 0 H VAL A 15 -0.516 13.368 3.461 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.013 12.201 2.410 1.00 33.51 H new ATOM 0 HB VAL A 15 -0.878 11.273 4.368 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.097 9.110 4.349 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.113 10.414 5.009 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.372 9.840 3.344 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.408 9.607 2.587 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.673 10.339 1.572 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.211 11.268 1.980 1.00 55.14 H new ATOM 245 N VAL A 16 -4.516 12.758 4.368 1.00 72.41 N ATOM 246 CA VAL A 16 -5.359 13.212 5.479 1.00 62.20 C ATOM 247 C VAL A 16 -6.577 12.335 5.729 1.00 74.34 C ATOM 248 O VAL A 16 -7.396 12.672 6.582 1.00 14.05 O ATOM 249 CB VAL A 16 -5.851 14.628 5.215 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.655 15.586 5.112 1.00 21.45 C ATOM 251 CG2 VAL A 16 -6.649 14.651 3.906 1.00 41.30 C ATOM 0 H VAL A 16 -5.022 12.403 3.557 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.725 13.161 6.364 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.491 14.949 6.037 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -5.014 16.598 4.923 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.094 15.569 6.046 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -4.007 15.272 4.294 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.003 15.664 3.714 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.010 14.328 3.084 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.502 13.978 3.988 1.00 41.30 H new ATOM 261 N ALA A 17 -6.677 11.195 5.063 1.00 31.30 N ATOM 262 CA ALA A 17 -7.800 10.296 5.332 1.00 63.12 C ATOM 263 C ALA A 17 -7.715 9.062 4.457 1.00 50.22 C ATOM 264 O ALA A 17 -7.362 9.153 3.283 1.00 25.22 O ATOM 265 CB ALA A 17 -9.132 11.007 5.066 1.00 40.12 C ATOM 0 H ALA A 17 -6.019 10.873 4.353 1.00 31.30 H new ATOM 0 HA ALA A 17 -7.749 10.000 6.380 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -9.956 10.324 5.271 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.214 11.880 5.714 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.174 11.323 4.024 1.00 40.12 H new ATOM 271 N LEU A 18 -8.011 7.898 5.033 1.00 41.03 N ATOM 272 CA LEU A 18 -7.925 6.656 4.277 1.00 14.30 C ATOM 273 C LEU A 18 -8.962 5.648 4.778 1.00 1.41 C ATOM 274 O LEU A 18 -9.297 5.616 5.962 1.00 54.35 O ATOM 275 CB LEU A 18 -6.481 6.107 4.419 1.00 13.23 C ATOM 276 CG LEU A 18 -6.438 4.562 4.461 1.00 44.51 C ATOM 277 CD1 LEU A 18 -5.114 4.068 3.867 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.545 4.074 5.916 1.00 42.33 C ATOM 0 H LEU A 18 -8.307 7.792 6.003 1.00 41.03 H new ATOM 0 HA LEU A 18 -8.143 6.835 3.224 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -5.877 6.462 3.584 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.032 6.505 5.329 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.274 4.170 3.882 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -5.085 2.979 3.897 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -5.031 4.404 2.834 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.283 4.469 4.447 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.514 2.985 5.938 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -5.712 4.472 6.496 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.485 4.419 6.347 1.00 42.33 H new ATOM 290 N ALA A 19 -9.460 4.825 3.855 1.00 72.11 N ATOM 291 CA ALA A 19 -10.452 3.804 4.183 1.00 31.11 C ATOM 292 C ALA A 19 -9.873 2.422 3.904 1.00 13.13 C ATOM 293 O ALA A 19 -8.885 2.289 3.183 1.00 23.53 O ATOM 294 CB ALA A 19 -11.728 4.011 3.350 1.00 4.41 C ATOM 0 H ALA A 19 -9.191 4.847 2.871 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.707 3.886 5.240 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.458 3.243 3.605 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.147 4.994 3.564 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.485 3.943 2.290 1.00 4.41 H new ATOM 300 N SER A 20 -10.487 1.400 4.482 1.00 62.30 N ATOM 301 CA SER A 20 -10.009 0.041 4.286 1.00 12.45 C ATOM 302 C SER A 20 -11.038 -0.974 4.748 1.00 24.04 C ATOM 303 O SER A 20 -12.097 -0.619 5.266 1.00 71.24 O ATOM 304 CB SER A 20 -8.705 -0.166 5.056 1.00 43.13 C ATOM 305 OG SER A 20 -8.940 0.035 6.443 1.00 1.05 O ATOM 0 H SER A 20 -11.307 1.484 5.083 1.00 62.30 H new ATOM 0 HA SER A 20 -9.835 -0.106 3.220 1.00 12.45 H new ATOM 0 HB2 SER A 20 -8.323 -1.172 4.882 1.00 43.13 H new ATOM 0 HB3 SER A 20 -7.945 0.529 4.700 1.00 43.13 H new ATOM 0 HG SER A 20 -8.577 -0.721 6.949 1.00 1.05 H new ATOM 311 N ASN A 21 -10.695 -2.242 4.578 1.00 54.23 N ATOM 312 CA ASN A 21 -11.560 -3.335 4.998 1.00 53.10 C ATOM 313 C ASN A 21 -10.882 -4.072 6.140 1.00 74.32 C ATOM 314 O ASN A 21 -11.507 -4.851 6.859 1.00 11.43 O ATOM 315 CB ASN A 21 -11.806 -4.296 3.832 1.00 23.03 C ATOM 316 CG ASN A 21 -12.768 -3.666 2.831 1.00 70.51 C ATOM 317 OD1 ASN A 21 -13.266 -4.396 1.870 1.00 72.43 O flip ATOM 318 ND2 ASN A 21 -13.077 -2.479 2.929 1.00 32.42 N flip ATOM 0 H ASN A 21 -9.819 -2.541 4.150 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.522 -2.939 5.324 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -10.862 -4.535 3.341 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.218 -5.234 4.204 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -12.687 -1.911 3.681 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -13.724 -2.063 2.259 1.00 32.42 H new ATOM 325 N THR A 22 -9.590 -3.794 6.305 1.00 11.02 N ATOM 326 CA THR A 22 -8.812 -4.405 7.370 1.00 40.13 C ATOM 327 C THR A 22 -8.934 -3.560 8.636 1.00 24.02 C ATOM 328 O THR A 22 -8.373 -2.469 8.735 1.00 72.43 O ATOM 329 CB THR A 22 -7.344 -4.546 6.945 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.674 -5.402 7.859 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.652 -3.180 6.929 1.00 44.44 C ATOM 0 H THR A 22 -9.065 -3.150 5.714 1.00 11.02 H new ATOM 0 HA THR A 22 -9.198 -5.403 7.574 1.00 40.13 H new ATOM 0 HB THR A 22 -7.308 -4.967 5.940 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.408 -4.891 8.652 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.612 -3.302 6.625 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.161 -2.522 6.224 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.689 -2.742 7.926 1.00 44.44 H new ATOM 339 N GLU A 23 -9.718 -4.055 9.580 1.00 50.22 N ATOM 340 CA GLU A 23 -9.968 -3.332 10.821 1.00 21.22 C ATOM 341 C GLU A 23 -8.693 -2.703 11.371 1.00 33.42 C ATOM 342 O GLU A 23 -8.747 -1.681 12.050 1.00 60.34 O ATOM 343 CB GLU A 23 -10.561 -4.285 11.862 1.00 55.34 C ATOM 344 CG GLU A 23 -10.868 -3.519 13.150 1.00 23.42 C ATOM 345 CD GLU A 23 -11.584 -4.431 14.141 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.874 -5.558 13.775 1.00 72.44 O ATOM 347 OE2 GLU A 23 -11.832 -3.988 15.251 1.00 64.13 O ATOM 0 H GLU A 23 -10.193 -4.955 9.513 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.673 -2.530 10.605 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -11.471 -4.742 11.474 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -9.861 -5.095 12.068 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -9.943 -3.145 13.590 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.489 -2.651 12.928 1.00 23.42 H new ATOM 354 N PHE A 24 -7.556 -3.313 11.090 1.00 12.32 N ATOM 355 CA PHE A 24 -6.288 -2.792 11.587 1.00 62.34 C ATOM 356 C PHE A 24 -6.040 -1.342 11.148 1.00 43.04 C ATOM 357 O PHE A 24 -5.656 -0.507 11.969 1.00 34.23 O ATOM 358 CB PHE A 24 -5.135 -3.678 11.100 1.00 11.12 C ATOM 359 CG PHE A 24 -5.569 -5.130 11.088 1.00 35.23 C ATOM 360 CD1 PHE A 24 -6.276 -5.668 12.173 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.260 -5.939 9.988 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.673 -7.010 12.154 1.00 43.22 C ATOM 363 CE2 PHE A 24 -5.656 -7.282 9.970 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.364 -7.817 11.053 1.00 60.21 C ATOM 0 H PHE A 24 -7.480 -4.160 10.527 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.339 -2.803 12.676 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.828 -3.373 10.100 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.269 -3.554 11.751 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.514 -5.047 13.024 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -4.715 -5.526 9.152 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -7.218 -7.423 12.990 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.415 -7.905 9.121 1.00 62.52 H new ATOM 0 HZ PHE A 24 -6.672 -8.852 11.039 1.00 60.21 H new ATOM 374 N PHE A 25 -6.202 -1.049 9.857 1.00 4.22 N ATOM 375 CA PHE A 25 -5.925 0.300 9.339 1.00 53.40 C ATOM 376 C PHE A 25 -6.954 1.355 9.778 1.00 44.12 C ATOM 377 O PHE A 25 -6.579 2.431 10.236 1.00 73.34 O ATOM 378 CB PHE A 25 -5.872 0.248 7.798 1.00 14.51 C ATOM 379 CG PHE A 25 -4.715 1.074 7.263 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.398 2.312 7.838 1.00 75.12 C ATOM 381 CD2 PHE A 25 -3.964 0.597 6.183 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.332 3.067 7.335 1.00 44.54 C ATOM 383 CE2 PHE A 25 -2.898 1.352 5.681 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.582 2.587 6.257 1.00 1.40 C ATOM 0 H PHE A 25 -6.520 -1.716 9.154 1.00 4.22 H new ATOM 0 HA PHE A 25 -4.968 0.608 9.759 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.767 -0.786 7.469 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.810 0.620 7.386 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -4.977 2.684 8.670 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -4.207 -0.356 5.736 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -3.089 4.021 7.780 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -2.319 0.981 4.848 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.759 3.169 5.869 1.00 1.40 H new ATOM 394 N LEU A 26 -8.241 1.059 9.639 1.00 51.21 N ATOM 395 CA LEU A 26 -9.263 2.034 10.028 1.00 24.04 C ATOM 396 C LEU A 26 -9.274 2.222 11.541 1.00 24.21 C ATOM 397 O LEU A 26 -9.351 3.346 12.042 1.00 34.11 O ATOM 398 CB LEU A 26 -10.652 1.609 9.527 1.00 11.33 C ATOM 399 CG LEU A 26 -10.940 0.126 9.872 1.00 54.15 C ATOM 400 CD1 LEU A 26 -12.076 0.036 10.897 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.359 -0.634 8.603 1.00 64.21 C ATOM 0 H LEU A 26 -8.599 0.178 9.271 1.00 51.21 H new ATOM 0 HA LEU A 26 -9.014 2.987 9.561 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.414 2.245 9.977 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.713 1.753 8.448 1.00 11.33 H new ATOM 0 HG LEU A 26 -10.034 -0.316 10.287 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -12.271 -1.010 11.133 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.789 0.566 11.805 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.977 0.488 10.482 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.560 -1.676 8.853 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.259 -0.180 8.188 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.556 -0.585 7.868 1.00 64.21 H new ATOM 413 N ARG A 27 -9.186 1.113 12.256 1.00 34.32 N ATOM 414 CA ARG A 27 -9.179 1.168 13.711 1.00 64.22 C ATOM 415 C ARG A 27 -8.044 2.068 14.191 1.00 1.05 C ATOM 416 O ARG A 27 -8.240 2.921 15.056 1.00 3.25 O ATOM 417 CB ARG A 27 -9.007 -0.232 14.302 1.00 51.33 C ATOM 418 CG ARG A 27 -9.056 -0.149 15.830 1.00 52.22 C ATOM 419 CD ARG A 27 -9.086 -1.561 16.417 1.00 54.13 C ATOM 420 NE ARG A 27 -7.830 -2.249 16.140 1.00 14.32 N ATOM 421 CZ ARG A 27 -6.733 -1.983 16.841 1.00 52.13 C ATOM 422 NH1 ARG A 27 -6.767 -1.091 17.794 1.00 34.32 N ATOM 423 NH2 ARG A 27 -5.621 -2.612 16.576 1.00 70.23 N ATOM 0 H ARG A 27 -9.119 0.175 11.861 1.00 34.32 H new ATOM 0 HA ARG A 27 -10.133 1.575 14.045 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.794 -0.892 13.937 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -8.058 -0.660 13.980 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -8.187 0.393 16.203 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -9.939 0.407 16.146 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -9.252 -1.512 17.493 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -9.918 -2.122 15.991 1.00 54.13 H new ATOM 0 HE ARG A 27 -7.793 -2.946 15.396 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -7.636 -0.598 18.001 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -5.925 -0.887 18.332 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -5.594 -3.308 15.831 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -4.779 -2.408 17.114 1.00 70.23 H new ATOM 437 N GLU A 28 -6.854 1.860 13.635 1.00 12.43 N ATOM 438 CA GLU A 28 -5.688 2.647 14.027 1.00 52.20 C ATOM 439 C GLU A 28 -5.656 4.017 13.339 1.00 15.22 C ATOM 440 O GLU A 28 -5.300 5.020 13.958 1.00 34.35 O ATOM 441 CB GLU A 28 -4.409 1.875 13.685 1.00 33.00 C ATOM 442 CG GLU A 28 -3.238 2.425 14.505 1.00 20.23 C ATOM 443 CD GLU A 28 -1.935 1.779 14.050 1.00 43.21 C ATOM 444 OE1 GLU A 28 -1.979 0.998 13.113 1.00 0.13 O ATOM 445 OE2 GLU A 28 -0.911 2.074 14.644 1.00 1.12 O ATOM 0 H GLU A 28 -6.672 1.159 12.917 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.753 2.818 15.102 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.546 0.814 13.895 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -4.193 1.964 12.620 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -3.178 3.507 14.388 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -3.401 2.228 15.565 1.00 20.23 H new ATOM 452 N LYS A 29 -6.023 4.083 12.065 1.00 53.01 N ATOM 453 CA LYS A 29 -5.991 5.363 11.365 1.00 53.24 C ATOM 454 C LYS A 29 -6.661 6.439 12.207 1.00 15.32 C ATOM 455 O LYS A 29 -6.339 7.622 12.098 1.00 61.42 O ATOM 456 CB LYS A 29 -6.709 5.233 10.014 1.00 64.24 C ATOM 457 CG LYS A 29 -6.825 6.602 9.329 1.00 14.12 C ATOM 458 CD LYS A 29 -5.433 7.214 9.150 1.00 44.31 C ATOM 459 CE LYS A 29 -5.497 8.341 8.116 1.00 43.22 C ATOM 460 NZ LYS A 29 -4.209 9.092 8.120 1.00 33.11 N ATOM 0 H LYS A 29 -6.338 3.289 11.507 1.00 53.01 H new ATOM 0 HA LYS A 29 -4.953 5.647 11.194 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -6.162 4.544 9.371 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.702 4.810 10.163 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -7.312 6.493 8.360 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -7.450 7.266 9.927 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -5.069 7.600 10.102 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -4.727 6.449 8.826 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -5.687 7.929 7.125 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -6.323 9.014 8.346 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -4.402 10.112 8.056 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -3.693 8.892 9.001 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -3.632 8.797 7.306 1.00 33.11 H new ATOM 474 N ASP A 30 -7.604 6.019 13.035 1.00 25.34 N ATOM 475 CA ASP A 30 -8.330 6.950 13.883 1.00 24.43 C ATOM 476 C ASP A 30 -7.441 7.548 14.975 1.00 2.55 C ATOM 477 O ASP A 30 -7.742 8.625 15.489 1.00 42.30 O ATOM 478 CB ASP A 30 -9.517 6.238 14.534 1.00 21.02 C ATOM 479 CG ASP A 30 -10.425 7.256 15.215 1.00 23.24 C ATOM 480 OD1 ASP A 30 -10.162 8.439 15.079 1.00 74.02 O ATOM 481 OD2 ASP A 30 -11.371 6.837 15.862 1.00 64.35 O ATOM 0 H ASP A 30 -7.884 5.043 13.138 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.677 7.766 13.249 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -10.078 5.685 13.781 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -9.160 5.511 15.264 1.00 21.02 H new ATOM 486 N LYS A 31 -6.364 6.849 15.361 1.00 21.32 N ATOM 487 CA LYS A 31 -5.499 7.361 16.430 1.00 0.23 C ATOM 488 C LYS A 31 -4.314 8.185 15.916 1.00 11.45 C ATOM 489 O LYS A 31 -3.767 8.987 16.675 1.00 4.11 O ATOM 490 CB LYS A 31 -5.020 6.222 17.357 1.00 43.32 C ATOM 491 CG LYS A 31 -3.923 5.374 16.696 1.00 62.53 C ATOM 492 CD LYS A 31 -2.525 6.026 16.870 1.00 44.01 C ATOM 493 CE LYS A 31 -1.818 6.155 15.508 1.00 10.32 C ATOM 494 NZ LYS A 31 -1.015 4.927 15.249 1.00 12.43 N ATOM 0 H LYS A 31 -6.078 5.955 14.963 1.00 21.32 H new ATOM 0 HA LYS A 31 -6.117 8.047 17.010 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.642 6.645 18.288 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.865 5.585 17.617 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.918 4.376 17.134 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -4.142 5.255 15.635 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.630 7.010 17.327 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.918 5.424 17.546 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.554 6.296 14.716 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -1.172 7.033 15.503 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.537 5.012 14.329 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.304 4.812 16.000 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.643 4.098 15.237 1.00 12.43 H new ATOM 508 N MET A 32 -3.896 8.024 14.657 1.00 31.34 N ATOM 509 CA MET A 32 -2.757 8.824 14.167 1.00 70.41 C ATOM 510 C MET A 32 -3.199 10.220 13.773 1.00 62.31 C ATOM 511 O MET A 32 -4.370 10.579 13.890 1.00 70.22 O ATOM 512 CB MET A 32 -2.052 8.177 12.949 1.00 62.10 C ATOM 513 CG MET A 32 -3.071 7.707 11.900 1.00 13.23 C ATOM 514 SD MET A 32 -2.380 6.301 10.984 1.00 11.22 S ATOM 515 CE MET A 32 -2.544 5.060 12.291 1.00 23.44 C ATOM 0 H MET A 32 -4.304 7.379 13.980 1.00 31.34 H new ATOM 0 HA MET A 32 -2.051 8.870 14.996 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.368 8.896 12.498 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.452 7.330 13.281 1.00 62.10 H new ATOM 0 HG2 MET A 32 -4.003 7.417 12.385 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.308 8.521 11.215 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.554 4.726 12.602 1.00 23.44 H new ATOM 0 HE2 MET A 32 -3.065 5.496 13.144 1.00 23.44 H new ATOM 0 HE3 MET A 32 -3.112 4.209 11.916 1.00 23.44 H new ATOM 525 N LYS A 33 -2.239 10.992 13.272 1.00 42.12 N ATOM 526 CA LYS A 33 -2.496 12.349 12.814 1.00 30.03 C ATOM 527 C LYS A 33 -2.312 12.388 11.302 1.00 12.20 C ATOM 528 O LYS A 33 -2.023 11.362 10.687 1.00 73.25 O ATOM 529 CB LYS A 33 -1.546 13.334 13.505 1.00 20.23 C ATOM 530 CG LYS A 33 -1.214 12.815 14.907 1.00 61.45 C ATOM 531 CD LYS A 33 -0.615 13.942 15.750 1.00 71.34 C ATOM 532 CE LYS A 33 0.115 13.346 16.955 1.00 23.54 C ATOM 533 NZ LYS A 33 0.495 14.437 17.895 1.00 3.44 N ATOM 0 H LYS A 33 -1.268 10.695 13.173 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.515 12.643 13.066 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.633 13.448 12.921 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -2.008 14.319 13.569 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -2.115 12.431 15.385 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -0.510 11.985 14.840 1.00 61.45 H new ATOM 0 HD2 LYS A 33 0.076 14.532 15.148 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -1.402 14.617 16.086 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -0.525 12.623 17.460 1.00 23.54 H new ATOM 0 HE3 LYS A 33 1.005 12.809 16.626 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 1.432 14.236 18.300 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 0.526 15.342 17.383 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 -0.207 14.496 18.660 1.00 3.44 H new ATOM 547 N MET A 34 -2.494 13.546 10.700 1.00 41.31 N ATOM 548 CA MET A 34 -2.378 13.653 9.256 1.00 33.10 C ATOM 549 C MET A 34 -0.985 13.206 8.789 1.00 63.21 C ATOM 550 O MET A 34 0.007 13.413 9.486 1.00 52.35 O ATOM 551 CB MET A 34 -2.670 15.106 8.864 1.00 34.15 C ATOM 552 CG MET A 34 -1.381 15.889 8.590 1.00 52.42 C ATOM 553 SD MET A 34 -1.749 17.662 8.599 1.00 55.42 S ATOM 554 CE MET A 34 -3.232 17.592 7.565 1.00 62.44 C ATOM 0 H MET A 34 -2.720 14.418 11.179 1.00 41.31 H new ATOM 0 HA MET A 34 -3.096 12.995 8.766 1.00 33.10 H new ATOM 0 HB2 MET A 34 -3.302 15.123 7.976 1.00 34.15 H new ATOM 0 HB3 MET A 34 -3.229 15.593 9.663 1.00 34.15 H new ATOM 0 HG2 MET A 34 -0.632 15.657 9.347 1.00 52.42 H new ATOM 0 HG3 MET A 34 -0.962 15.597 7.627 1.00 52.42 H new ATOM 0 HE1 MET A 34 -3.542 18.604 7.304 1.00 62.44 H new ATOM 0 HE2 MET A 34 -3.015 17.033 6.655 1.00 62.44 H new ATOM 0 HE3 MET A 34 -4.034 17.097 8.112 1.00 62.44 H new ATOM 564 N ALA A 35 -0.930 12.566 7.614 1.00 21.44 N ATOM 565 CA ALA A 35 0.332 12.060 7.070 1.00 44.20 C ATOM 566 C ALA A 35 0.712 12.796 5.789 1.00 64.15 C ATOM 567 O ALA A 35 -0.114 13.481 5.185 1.00 44.52 O ATOM 568 CB ALA A 35 0.203 10.557 6.791 1.00 54.02 C ATOM 0 H ALA A 35 -1.743 12.388 7.025 1.00 21.44 H new ATOM 0 HA ALA A 35 1.119 12.231 7.804 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.142 10.180 6.386 1.00 54.02 H new ATOM 0 HB2 ALA A 35 -0.028 10.033 7.719 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.597 10.388 6.070 1.00 54.02 H new ATOM 574 N MET A 36 1.978 12.660 5.387 1.00 5.10 N ATOM 575 CA MET A 36 2.475 13.327 4.182 1.00 73.22 C ATOM 576 C MET A 36 3.226 12.339 3.289 1.00 60.32 C ATOM 577 O MET A 36 3.638 11.266 3.728 1.00 53.43 O ATOM 578 CB MET A 36 3.412 14.496 4.557 1.00 61.43 C ATOM 579 CG MET A 36 3.730 14.464 6.051 1.00 31.25 C ATOM 580 SD MET A 36 2.281 14.989 6.996 1.00 13.52 S ATOM 581 CE MET A 36 2.907 14.547 8.637 1.00 33.51 C ATOM 0 H MET A 36 2.674 12.097 5.876 1.00 5.10 H new ATOM 0 HA MET A 36 1.616 13.718 3.636 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.335 14.430 3.981 1.00 61.43 H new ATOM 0 HB3 MET A 36 2.942 15.445 4.299 1.00 61.43 H new ATOM 0 HG2 MET A 36 4.024 13.457 6.348 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.574 15.120 6.267 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.428 13.627 8.973 1.00 33.51 H new ATOM 0 HE2 MET A 36 3.986 14.398 8.587 1.00 33.51 H new ATOM 0 HE3 MET A 36 2.684 15.350 9.340 1.00 33.51 H new ATOM 591 N ALA A 37 3.391 12.729 2.031 1.00 51.34 N ATOM 592 CA ALA A 37 4.087 11.898 1.055 1.00 13.33 C ATOM 593 C ALA A 37 4.639 12.752 -0.081 1.00 20.11 C ATOM 594 O ALA A 37 4.196 13.875 -0.286 1.00 53.12 O ATOM 595 CB ALA A 37 3.120 10.863 0.480 1.00 24.41 C ATOM 0 H ALA A 37 3.052 13.617 1.662 1.00 51.34 H new ATOM 0 HA ALA A 37 4.915 11.396 1.556 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.642 10.243 -0.249 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.739 10.234 1.285 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.288 11.373 -0.006 1.00 24.41 H new ATOM 601 N ARG A 38 5.599 12.209 -0.824 1.00 10.24 N ATOM 602 CA ARG A 38 6.183 12.946 -1.956 1.00 73.45 C ATOM 603 C ARG A 38 6.427 11.997 -3.119 1.00 34.33 C ATOM 604 O ARG A 38 6.855 10.861 -2.923 1.00 62.01 O ATOM 605 CB ARG A 38 7.486 13.652 -1.559 1.00 70.14 C ATOM 606 CG ARG A 38 8.442 12.670 -0.884 1.00 11.32 C ATOM 607 CD ARG A 38 9.861 13.243 -0.895 1.00 44.30 C ATOM 608 NE ARG A 38 10.781 12.326 -0.231 1.00 70.55 N ATOM 609 CZ ARG A 38 11.934 12.754 0.274 1.00 72.44 C ATOM 610 NH1 ARG A 38 12.260 14.014 0.180 1.00 51.41 N ATOM 611 NH2 ARG A 38 12.740 11.913 0.864 1.00 42.02 N ATOM 0 H ARG A 38 5.988 11.278 -0.672 1.00 10.24 H new ATOM 0 HA ARG A 38 5.474 13.715 -2.261 1.00 73.45 H new ATOM 0 HB2 ARG A 38 7.959 14.080 -2.443 1.00 70.14 H new ATOM 0 HB3 ARG A 38 7.267 14.479 -0.883 1.00 70.14 H new ATOM 0 HG2 ARG A 38 8.123 12.483 0.141 1.00 11.32 H new ATOM 0 HG3 ARG A 38 8.422 11.712 -1.404 1.00 11.32 H new ATOM 0 HD2 ARG A 38 10.184 13.413 -1.922 1.00 44.30 H new ATOM 0 HD3 ARG A 38 9.874 14.210 -0.392 1.00 44.30 H new ATOM 0 HE ARG A 38 10.535 11.339 -0.153 1.00 70.55 H new ATOM 0 HH11 ARG A 38 11.630 14.671 -0.281 1.00 51.41 H new ATOM 0 HH12 ARG A 38 13.145 14.342 0.568 1.00 51.41 H new ATOM 0 HH21 ARG A 38 12.485 10.928 0.937 1.00 42.02 H new ATOM 0 HH22 ARG A 38 13.625 12.241 1.252 1.00 42.02 H new ATOM 625 N ILE A 39 6.107 12.450 -4.331 1.00 25.42 N ATOM 626 CA ILE A 39 6.232 11.646 -5.539 1.00 20.44 C ATOM 627 C ILE A 39 7.176 12.326 -6.524 1.00 41.22 C ATOM 628 O ILE A 39 7.197 13.553 -6.614 1.00 34.24 O ATOM 629 CB ILE A 39 4.846 11.557 -6.128 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.718 10.529 -7.249 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.470 12.892 -6.671 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.255 10.059 -7.280 1.00 61.20 C ATOM 0 H ILE A 39 5.752 13.391 -4.500 1.00 25.42 H new ATOM 0 HA ILE A 39 6.637 10.658 -5.321 1.00 20.44 H new ATOM 0 HB ILE A 39 4.184 11.237 -5.323 1.00 51.52 H new ATOM 0 HG12 ILE A 39 5.000 10.968 -8.206 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.388 9.687 -7.075 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.469 12.842 -7.100 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.484 13.629 -5.868 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.182 13.184 -7.443 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.127 9.321 -8.072 1.00 61.20 H new ATOM 0 HD12 ILE A 39 2.997 9.610 -6.321 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.603 10.912 -7.469 1.00 61.20 H new ATOM 644 N SER A 40 7.942 11.553 -7.266 1.00 55.20 N ATOM 645 CA SER A 40 8.846 12.144 -8.240 1.00 63.41 C ATOM 646 C SER A 40 9.058 11.191 -9.408 1.00 50.51 C ATOM 647 O SER A 40 8.782 9.997 -9.300 1.00 24.20 O ATOM 648 CB SER A 40 10.162 12.494 -7.575 1.00 72.31 C ATOM 649 OG SER A 40 9.907 13.224 -6.383 1.00 21.15 O ATOM 0 H SER A 40 7.961 10.534 -7.219 1.00 55.20 H new ATOM 0 HA SER A 40 8.404 13.061 -8.630 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.720 11.586 -7.346 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.779 13.085 -8.252 1.00 72.31 H new ATOM 0 HG SER A 40 10.756 13.450 -5.950 1.00 21.15 H new ATOM 655 N PHE A 41 9.501 11.728 -10.543 1.00 13.21 N ATOM 656 CA PHE A 41 9.684 10.908 -11.738 1.00 73.23 C ATOM 657 C PHE A 41 11.123 10.443 -11.944 1.00 22.01 C ATOM 658 O PHE A 41 11.891 11.073 -12.671 1.00 31.42 O ATOM 659 CB PHE A 41 9.236 11.698 -12.968 1.00 43.55 C ATOM 660 CG PHE A 41 7.772 12.039 -12.840 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.372 13.126 -12.052 1.00 3.33 C ATOM 662 CD2 PHE A 41 6.811 11.270 -13.508 1.00 22.43 C ATOM 663 CE1 PHE A 41 6.014 13.441 -11.931 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.453 11.585 -13.387 1.00 14.24 C ATOM 665 CZ PHE A 41 5.054 12.671 -12.599 1.00 11.12 C ATOM 0 H PHE A 41 9.737 12.713 -10.660 1.00 13.21 H new ATOM 0 HA PHE A 41 9.077 10.013 -11.598 1.00 73.23 H new ATOM 0 HB2 PHE A 41 9.826 12.610 -13.063 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.407 11.113 -13.872 1.00 43.55 H new ATOM 0 HD1 PHE A 41 8.112 13.721 -11.538 1.00 3.33 H new ATOM 0 HD2 PHE A 41 7.118 10.433 -14.117 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.706 14.278 -11.322 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.713 10.990 -13.902 1.00 14.24 H new ATOM 0 HZ PHE A 41 4.006 12.915 -12.506 1.00 11.12 H new ATOM 675 N LEU A 42 11.463 9.305 -11.347 1.00 72.14 N ATOM 676 CA LEU A 42 12.795 8.739 -11.533 1.00 3.31 C ATOM 677 C LEU A 42 12.988 8.520 -13.026 1.00 2.14 C ATOM 678 O LEU A 42 14.063 8.738 -13.585 1.00 13.22 O ATOM 679 CB LEU A 42 12.919 7.390 -10.819 1.00 63.03 C ATOM 680 CG LEU A 42 12.993 7.584 -9.296 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.549 6.288 -8.597 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.431 7.921 -8.878 1.00 1.35 C ATOM 0 H LEU A 42 10.847 8.764 -10.740 1.00 72.14 H new ATOM 0 HA LEU A 42 13.544 9.416 -11.121 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.065 6.761 -11.069 1.00 63.03 H new ATOM 0 HB3 LEU A 42 13.811 6.869 -11.168 1.00 63.03 H new ATOM 0 HG LEU A 42 12.336 8.404 -9.007 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.600 6.422 -7.516 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.525 6.052 -8.885 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.207 5.471 -8.893 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.473 8.057 -7.797 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.095 7.106 -9.168 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.748 8.840 -9.372 1.00 1.35 H new ATOM 694 N GLY A 43 11.897 8.094 -13.647 1.00 24.41 N ATOM 695 CA GLY A 43 11.846 7.832 -15.077 1.00 32.34 C ATOM 696 C GLY A 43 10.390 7.650 -15.496 1.00 5.31 C ATOM 697 O GLY A 43 9.535 7.363 -14.658 1.00 55.24 O ATOM 0 H GLY A 43 11.014 7.919 -13.167 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.296 8.658 -15.628 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.422 6.938 -15.317 1.00 32.34 H new ATOM 701 N GLU A 44 10.100 7.825 -16.777 1.00 61.02 N ATOM 702 CA GLU A 44 8.728 7.679 -17.251 1.00 43.32 C ATOM 703 C GLU A 44 8.138 6.357 -16.769 1.00 4.12 C ATOM 704 O GLU A 44 6.927 6.241 -16.582 1.00 13.41 O ATOM 705 CB GLU A 44 8.687 7.746 -18.781 1.00 42.22 C ATOM 706 CG GLU A 44 7.233 7.817 -19.264 1.00 2.53 C ATOM 707 CD GLU A 44 6.583 6.437 -19.193 1.00 3.44 C ATOM 708 OE1 GLU A 44 7.310 5.463 -19.087 1.00 22.15 O ATOM 709 OE2 GLU A 44 5.366 6.377 -19.249 1.00 73.24 O ATOM 0 H GLU A 44 10.781 8.064 -17.497 1.00 61.02 H new ATOM 0 HA GLU A 44 8.132 8.497 -16.846 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.238 8.619 -19.130 1.00 42.22 H new ATOM 0 HB3 GLU A 44 9.177 6.870 -19.205 1.00 42.22 H new ATOM 0 HG2 GLU A 44 6.673 8.522 -18.650 1.00 2.53 H new ATOM 0 HG3 GLU A 44 7.201 8.190 -20.288 1.00 2.53 H new ATOM 716 N ASP A 45 9.003 5.366 -16.556 1.00 41.50 N ATOM 717 CA ASP A 45 8.558 4.057 -16.078 1.00 21.20 C ATOM 718 C ASP A 45 9.035 3.829 -14.647 1.00 63.11 C ATOM 719 O ASP A 45 8.896 2.733 -14.103 1.00 64.22 O ATOM 720 CB ASP A 45 9.104 2.948 -16.982 1.00 33.33 C ATOM 721 CG ASP A 45 9.079 3.397 -18.438 1.00 41.45 C ATOM 722 OD1 ASP A 45 8.056 3.214 -19.077 1.00 62.25 O ATOM 723 OD2 ASP A 45 10.084 3.916 -18.895 1.00 71.02 O ATOM 0 H ASP A 45 10.009 5.443 -16.706 1.00 41.50 H new ATOM 0 HA ASP A 45 7.469 4.033 -16.101 1.00 21.20 H new ATOM 0 HB2 ASP A 45 10.123 2.698 -16.688 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.507 2.044 -16.862 1.00 33.33 H new ATOM 728 N GLU A 46 9.606 4.870 -14.045 1.00 61.05 N ATOM 729 CA GLU A 46 10.112 4.775 -12.677 1.00 11.53 C ATOM 730 C GLU A 46 9.713 6.003 -11.864 1.00 61.35 C ATOM 731 O GLU A 46 10.086 7.126 -12.198 1.00 31.14 O ATOM 732 CB GLU A 46 11.637 4.656 -12.696 1.00 1.23 C ATOM 733 CG GLU A 46 12.048 3.495 -13.602 1.00 54.41 C ATOM 734 CD GLU A 46 13.555 3.279 -13.521 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.224 4.118 -12.941 1.00 24.22 O ATOM 736 OE2 GLU A 46 14.019 2.277 -14.042 1.00 35.14 O ATOM 0 H GLU A 46 9.730 5.784 -14.480 1.00 61.05 H new ATOM 0 HA GLU A 46 9.677 3.890 -12.213 1.00 11.53 H new ATOM 0 HB2 GLU A 46 12.080 5.585 -13.054 1.00 1.23 H new ATOM 0 HB3 GLU A 46 12.012 4.493 -11.686 1.00 1.23 H new ATOM 0 HG2 GLU A 46 11.525 2.587 -13.302 1.00 54.41 H new ATOM 0 HG3 GLU A 46 11.757 3.705 -14.631 1.00 54.41 H new ATOM 743 N LEU A 47 8.959 5.778 -10.790 1.00 71.31 N ATOM 744 CA LEU A 47 8.516 6.869 -9.919 1.00 10.13 C ATOM 745 C LEU A 47 8.850 6.552 -8.468 1.00 4.12 C ATOM 746 O LEU A 47 8.740 5.406 -8.035 1.00 72.11 O ATOM 747 CB LEU A 47 7.001 7.070 -10.028 1.00 22.32 C ATOM 748 CG LEU A 47 6.549 7.025 -11.488 1.00 12.11 C ATOM 749 CD1 LEU A 47 5.027 6.988 -11.519 1.00 62.32 C ATOM 750 CD2 LEU A 47 7.035 8.272 -12.235 1.00 41.54 C ATOM 0 H LEU A 47 8.642 4.853 -10.501 1.00 71.31 H new ATOM 0 HA LEU A 47 9.031 7.776 -10.236 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.485 6.296 -9.459 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.724 8.027 -9.587 1.00 22.32 H new ATOM 0 HG LEU A 47 6.966 6.141 -11.971 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.685 6.956 -12.553 1.00 62.32 H new ATOM 0 HD12 LEU A 47 4.674 6.102 -10.992 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.631 7.880 -11.034 1.00 62.32 H new ATOM 0 HD21 LEU A 47 6.706 8.226 -13.273 1.00 41.54 H new ATOM 0 HD22 LEU A 47 6.622 9.163 -11.763 1.00 41.54 H new ATOM 0 HD23 LEU A 47 8.124 8.315 -12.201 1.00 41.54 H new ATOM 762 N LYS A 48 9.251 7.572 -7.718 1.00 22.02 N ATOM 763 CA LYS A 48 9.591 7.393 -6.308 1.00 31.55 C ATOM 764 C LYS A 48 8.496 7.985 -5.427 1.00 12.40 C ATOM 765 O LYS A 48 8.236 9.183 -5.492 1.00 65.42 O ATOM 766 CB LYS A 48 10.924 8.094 -6.012 1.00 74.40 C ATOM 767 CG LYS A 48 11.567 7.506 -4.750 1.00 43.45 C ATOM 768 CD LYS A 48 13.025 7.966 -4.666 1.00 31.23 C ATOM 769 CE LYS A 48 13.079 9.490 -4.534 1.00 60.11 C ATOM 770 NZ LYS A 48 14.414 9.894 -4.008 1.00 23.24 N ATOM 0 H LYS A 48 9.349 8.528 -8.059 1.00 22.02 H new ATOM 0 HA LYS A 48 9.682 6.328 -6.094 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.599 7.979 -6.860 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.759 9.163 -5.880 1.00 74.40 H new ATOM 0 HG2 LYS A 48 11.020 7.829 -3.864 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.518 6.417 -4.776 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.515 7.500 -3.811 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.568 7.649 -5.556 1.00 31.23 H new ATOM 0 HE2 LYS A 48 12.901 9.957 -5.503 1.00 60.11 H new ATOM 0 HE3 LYS A 48 12.292 9.836 -3.864 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 14.453 10.929 -3.918 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 14.566 9.459 -3.076 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 15.156 9.576 -4.663 1.00 23.24 H new ATOM 784 N VAL A 49 7.868 7.149 -4.591 1.00 14.01 N ATOM 785 CA VAL A 49 6.814 7.628 -3.690 1.00 20.43 C ATOM 786 C VAL A 49 7.196 7.345 -2.249 1.00 3.24 C ATOM 787 O VAL A 49 7.779 6.312 -1.923 1.00 52.54 O ATOM 788 CB VAL A 49 5.443 7.012 -4.066 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.582 6.713 -2.840 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.671 8.003 -4.925 1.00 0.14 C ATOM 0 H VAL A 49 8.068 6.151 -4.520 1.00 14.01 H new ATOM 0 HA VAL A 49 6.713 8.708 -3.800 1.00 20.43 H new ATOM 0 HB VAL A 49 5.646 6.079 -4.592 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.632 6.283 -3.158 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.102 6.006 -2.194 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.396 7.637 -2.292 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.705 7.576 -5.194 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.517 8.926 -4.366 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.237 8.217 -5.831 1.00 0.14 H new ATOM 800 N SER A 50 6.910 8.325 -1.411 1.00 72.14 N ATOM 801 CA SER A 50 7.264 8.268 -0.004 1.00 75.02 C ATOM 802 C SER A 50 6.061 8.463 0.904 1.00 4.34 C ATOM 803 O SER A 50 5.123 9.180 0.555 1.00 74.01 O ATOM 804 CB SER A 50 8.241 9.392 0.253 1.00 34.44 C ATOM 805 OG SER A 50 8.847 9.225 1.528 1.00 73.43 O ATOM 0 H SER A 50 6.427 9.181 -1.685 1.00 72.14 H new ATOM 0 HA SER A 50 7.683 7.286 0.213 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.006 9.405 -0.524 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.725 10.351 0.209 1.00 34.44 H new ATOM 0 HG SER A 50 8.675 8.318 1.856 1.00 73.43 H new ATOM 811 N TYR A 51 6.128 7.854 2.091 1.00 10.20 N ATOM 812 CA TYR A 51 5.060 7.989 3.081 1.00 41.44 C ATOM 813 C TYR A 51 5.624 8.507 4.399 1.00 60.13 C ATOM 814 O TYR A 51 6.633 8.005 4.892 1.00 44.53 O ATOM 815 CB TYR A 51 4.389 6.636 3.365 1.00 53.10 C ATOM 816 CG TYR A 51 4.185 5.851 2.092 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.587 6.452 0.984 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.572 4.506 2.034 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.379 5.711 -0.182 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.368 3.768 0.864 1.00 23.14 C ATOM 821 CZ TYR A 51 3.770 4.372 -0.244 1.00 5.10 C ATOM 822 OH TYR A 51 3.561 3.644 -1.398 1.00 41.31 O ATOM 0 H TYR A 51 6.907 7.266 2.387 1.00 10.20 H new ATOM 0 HA TYR A 51 4.329 8.686 2.671 1.00 41.44 H new ATOM 0 HB2 TYR A 51 5.004 6.060 4.056 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.428 6.799 3.853 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.285 7.488 1.028 1.00 1.03 H new ATOM 0 HD2 TYR A 51 5.028 4.038 2.894 1.00 14.40 H new ATOM 0 HE1 TYR A 51 2.914 6.176 -1.039 1.00 5.12 H new ATOM 0 HE2 TYR A 51 4.672 2.733 0.817 1.00 23.14 H new ATOM 0 HH TYR A 51 4.053 4.056 -2.139 1.00 41.31 H new ATOM 832 N ALA A 52 4.947 9.491 4.981 1.00 1.20 N ATOM 833 CA ALA A 52 5.364 10.047 6.263 1.00 61.54 C ATOM 834 C ALA A 52 4.185 10.002 7.227 1.00 33.01 C ATOM 835 O ALA A 52 3.208 10.734 7.058 1.00 4.12 O ATOM 836 CB ALA A 52 5.853 11.487 6.082 1.00 64.52 C ATOM 0 H ALA A 52 4.109 9.919 4.587 1.00 1.20 H new ATOM 0 HA ALA A 52 6.187 9.458 6.668 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.161 11.890 7.046 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.700 11.500 5.396 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.046 12.097 5.675 1.00 64.52 H new ATOM 842 N VAL A 53 4.270 9.123 8.225 1.00 1.11 N ATOM 843 CA VAL A 53 3.191 8.967 9.197 1.00 2.13 C ATOM 844 C VAL A 53 3.652 9.387 10.597 1.00 53.41 C ATOM 845 O VAL A 53 4.638 8.853 11.108 1.00 65.45 O ATOM 846 CB VAL A 53 2.754 7.498 9.234 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.362 7.387 9.859 1.00 41.12 C ATOM 848 CG2 VAL A 53 2.719 6.942 7.808 1.00 53.35 C ATOM 0 H VAL A 53 5.071 8.511 8.381 1.00 1.11 H new ATOM 0 HA VAL A 53 2.359 9.604 8.897 1.00 2.13 H new ATOM 0 HB VAL A 53 3.463 6.926 9.833 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.056 6.341 9.883 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.387 7.781 10.875 1.00 41.12 H new ATOM 0 HG13 VAL A 53 0.650 7.960 9.265 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.408 5.897 7.832 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.012 7.517 7.211 1.00 53.35 H new ATOM 0 HG23 VAL A 53 3.712 7.015 7.365 1.00 53.35 H new ATOM 858 N PRO A 54 2.970 10.311 11.238 1.00 24.31 N ATOM 859 CA PRO A 54 3.343 10.764 12.606 1.00 4.44 C ATOM 860 C PRO A 54 2.853 9.787 13.670 1.00 44.22 C ATOM 861 O PRO A 54 1.651 9.552 13.803 1.00 43.31 O ATOM 862 CB PRO A 54 2.640 12.114 12.731 1.00 70.12 C ATOM 863 CG PRO A 54 1.412 11.973 11.895 1.00 63.40 C ATOM 864 CD PRO A 54 1.778 11.030 10.743 1.00 21.22 C ATOM 0 HA PRO A 54 4.421 10.828 12.752 1.00 4.44 H new ATOM 0 HB2 PRO A 54 2.391 12.337 13.768 1.00 70.12 H new ATOM 0 HB3 PRO A 54 3.273 12.926 12.373 1.00 70.12 H new ATOM 0 HG2 PRO A 54 0.587 11.568 12.481 1.00 63.40 H new ATOM 0 HG3 PRO A 54 1.087 12.942 11.516 1.00 63.40 H new ATOM 0 HD2 PRO A 54 0.963 10.343 10.515 1.00 21.22 H new ATOM 0 HD3 PRO A 54 1.995 11.582 9.828 1.00 21.22 H new ATOM 872 N LYS A 55 3.790 9.218 14.421 1.00 32.12 N ATOM 873 CA LYS A 55 3.451 8.261 15.470 1.00 22.13 C ATOM 874 C LYS A 55 4.075 8.686 16.799 1.00 34.53 C ATOM 875 O LYS A 55 5.198 8.293 17.102 1.00 63.23 O ATOM 876 CB LYS A 55 3.975 6.876 15.087 1.00 52.02 C ATOM 877 CG LYS A 55 3.403 5.829 16.044 1.00 33.05 C ATOM 878 CD LYS A 55 4.078 4.479 15.788 1.00 65.33 C ATOM 879 CE LYS A 55 3.266 3.366 16.456 1.00 43.42 C ATOM 880 NZ LYS A 55 2.004 3.148 15.695 1.00 50.10 N ATOM 0 H LYS A 55 4.789 9.402 14.324 1.00 32.12 H new ATOM 0 HA LYS A 55 2.367 8.230 15.580 1.00 22.13 H new ATOM 0 HB2 LYS A 55 3.692 6.640 14.061 1.00 52.02 H new ATOM 0 HB3 LYS A 55 5.064 6.864 15.127 1.00 52.02 H new ATOM 0 HG2 LYS A 55 3.565 6.138 17.077 1.00 33.05 H new ATOM 0 HG3 LYS A 55 2.326 5.741 15.902 1.00 33.05 H new ATOM 0 HD2 LYS A 55 4.153 4.296 14.716 1.00 65.33 H new ATOM 0 HD3 LYS A 55 5.094 4.488 16.182 1.00 65.33 H new ATOM 0 HE2 LYS A 55 3.848 2.445 16.487 1.00 43.42 H new ATOM 0 HE3 LYS A 55 3.039 3.635 17.488 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 1.191 3.238 16.337 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 1.928 3.858 14.938 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 2.011 2.196 15.277 1.00 50.10 H new ATOM 894 N PRO A 56 3.389 9.480 17.591 1.00 52.11 N ATOM 895 CA PRO A 56 3.916 9.948 18.903 1.00 72.53 C ATOM 896 C PRO A 56 4.776 8.898 19.607 1.00 42.15 C ATOM 897 O PRO A 56 5.648 9.235 20.408 1.00 61.53 O ATOM 898 CB PRO A 56 2.642 10.245 19.690 1.00 62.43 C ATOM 899 CG PRO A 56 1.660 10.714 18.662 1.00 42.35 C ATOM 900 CD PRO A 56 2.038 10.027 17.338 1.00 12.24 C ATOM 0 HA PRO A 56 4.581 10.805 18.802 1.00 72.53 H new ATOM 0 HB2 PRO A 56 2.280 9.356 20.207 1.00 62.43 H new ATOM 0 HB3 PRO A 56 2.815 11.008 20.450 1.00 62.43 H new ATOM 0 HG2 PRO A 56 0.642 10.456 18.954 1.00 42.35 H new ATOM 0 HG3 PRO A 56 1.697 11.798 18.559 1.00 42.35 H new ATOM 0 HD2 PRO A 56 1.330 9.239 17.081 1.00 12.24 H new ATOM 0 HD3 PRO A 56 2.043 10.734 16.509 1.00 12.24 H new ATOM 908 N ASN A 57 4.529 7.627 19.303 1.00 21.20 N ATOM 909 CA ASN A 57 5.293 6.540 19.913 1.00 5.00 C ATOM 910 C ASN A 57 6.568 6.267 19.117 1.00 71.00 C ATOM 911 O ASN A 57 7.185 5.212 19.257 1.00 41.55 O ATOM 912 CB ASN A 57 4.439 5.271 19.965 1.00 61.55 C ATOM 913 CG ASN A 57 5.047 4.270 20.942 1.00 51.04 C ATOM 914 OD1 ASN A 57 5.931 4.623 21.722 1.00 74.33 O ATOM 915 ND2 ASN A 57 4.624 3.036 20.947 1.00 63.44 N ATOM 0 H ASN A 57 3.812 7.325 18.644 1.00 21.20 H new ATOM 0 HA ASN A 57 5.568 6.836 20.925 1.00 5.00 H new ATOM 0 HB2 ASN A 57 3.423 5.519 20.272 1.00 61.55 H new ATOM 0 HB3 ASN A 57 4.372 4.827 18.972 1.00 61.55 H new ATOM 0 HD21 ASN A 57 5.026 2.362 21.598 1.00 63.44 H new ATOM 0 HD22 ASN A 57 3.891 2.745 20.300 1.00 63.44 H new ATOM 922 N GLY A 58 6.952 7.226 18.277 1.00 21.40 N ATOM 923 CA GLY A 58 8.151 7.089 17.450 1.00 65.22 C ATOM 924 C GLY A 58 7.836 7.414 15.993 1.00 22.03 C ATOM 925 O GLY A 58 7.361 6.560 15.247 1.00 54.50 O ATOM 0 H GLY A 58 6.452 8.106 18.150 1.00 21.40 H new ATOM 0 HA2 GLY A 58 8.931 7.756 17.817 1.00 65.22 H new ATOM 0 HA3 GLY A 58 8.538 6.073 17.526 1.00 65.22 H new ATOM 929 N CYS A 59 8.098 8.657 15.598 1.00 54.34 N ATOM 930 CA CYS A 59 7.829 9.084 14.229 1.00 51.21 C ATOM 931 C CYS A 59 8.401 8.087 13.227 1.00 31.45 C ATOM 932 O CYS A 59 9.584 7.748 13.279 1.00 44.11 O ATOM 933 CB CYS A 59 8.440 10.466 13.983 1.00 1.22 C ATOM 934 SG CYS A 59 8.392 10.845 12.212 1.00 70.24 S ATOM 0 H CYS A 59 8.492 9.380 16.200 1.00 54.34 H new ATOM 0 HA CYS A 59 6.749 9.133 14.093 1.00 51.21 H new ATOM 0 HB2 CYS A 59 7.890 11.223 14.542 1.00 1.22 H new ATOM 0 HB3 CYS A 59 9.469 10.489 14.342 1.00 1.22 H new ATOM 939 N ARG A 60 7.550 7.621 12.314 1.00 40.34 N ATOM 940 CA ARG A 60 7.970 6.663 11.292 1.00 42.44 C ATOM 941 C ARG A 60 7.998 7.326 9.921 1.00 63.14 C ATOM 942 O ARG A 60 6.965 7.754 9.404 1.00 64.13 O ATOM 943 CB ARG A 60 7.007 5.474 11.266 1.00 33.31 C ATOM 944 CG ARG A 60 7.131 4.687 12.573 1.00 55.20 C ATOM 945 CD ARG A 60 6.357 3.373 12.453 1.00 43.01 C ATOM 946 NE ARG A 60 6.410 2.639 13.712 1.00 23.22 N ATOM 947 CZ ARG A 60 5.557 1.654 13.970 1.00 44.41 C ATOM 948 NH1 ARG A 60 4.649 1.329 13.090 1.00 33.41 N ATOM 949 NH2 ARG A 60 5.625 1.011 15.104 1.00 34.22 N ATOM 0 H ARG A 60 6.568 7.890 12.261 1.00 40.34 H new ATOM 0 HA ARG A 60 8.973 6.313 11.536 1.00 42.44 H new ATOM 0 HB2 ARG A 60 5.983 5.825 11.136 1.00 33.31 H new ATOM 0 HB3 ARG A 60 7.233 4.828 10.417 1.00 33.31 H new ATOM 0 HG2 ARG A 60 8.180 4.485 12.790 1.00 55.20 H new ATOM 0 HG3 ARG A 60 6.741 5.276 13.403 1.00 55.20 H new ATOM 0 HD2 ARG A 60 5.320 3.577 12.186 1.00 43.01 H new ATOM 0 HD3 ARG A 60 6.779 2.766 11.652 1.00 43.01 H new ATOM 0 HE ARG A 60 7.115 2.886 14.407 1.00 23.22 H new ATOM 0 HH11 ARG A 60 4.594 1.832 12.204 1.00 33.41 H new ATOM 0 HH12 ARG A 60 3.994 0.573 13.288 1.00 33.41 H new ATOM 0 HH21 ARG A 60 6.333 1.265 15.793 1.00 34.22 H new ATOM 0 HH22 ARG A 60 4.970 0.255 15.302 1.00 34.22 H new ATOM 963 N LYS A 61 9.188 7.402 9.332 1.00 74.25 N ATOM 964 CA LYS A 61 9.352 8.009 8.011 1.00 1.21 C ATOM 965 C LYS A 61 10.223 7.125 7.123 1.00 72.44 C ATOM 966 O LYS A 61 11.288 6.670 7.542 1.00 43.24 O ATOM 967 CB LYS A 61 9.991 9.395 8.148 1.00 73.32 C ATOM 968 CG LYS A 61 11.130 9.338 9.170 1.00 34.44 C ATOM 969 CD LYS A 61 12.011 10.581 9.025 1.00 35.33 C ATOM 970 CE LYS A 61 11.192 11.832 9.356 1.00 45.45 C ATOM 971 NZ LYS A 61 12.113 12.981 9.586 1.00 23.33 N ATOM 0 H LYS A 61 10.052 7.052 9.746 1.00 74.25 H new ATOM 0 HA LYS A 61 8.369 8.110 7.550 1.00 1.21 H new ATOM 0 HB2 LYS A 61 10.372 9.728 7.182 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.242 10.122 8.463 1.00 73.32 H new ATOM 0 HG2 LYS A 61 10.724 9.283 10.180 1.00 34.44 H new ATOM 0 HG3 LYS A 61 11.725 8.438 9.017 1.00 34.44 H new ATOM 0 HD2 LYS A 61 12.871 10.510 9.692 1.00 35.33 H new ATOM 0 HD3 LYS A 61 12.400 10.647 8.009 1.00 35.33 H new ATOM 0 HE2 LYS A 61 10.507 12.059 8.539 1.00 45.45 H new ATOM 0 HE3 LYS A 61 10.583 11.657 10.243 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 11.558 13.831 9.811 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 12.749 12.763 10.379 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 12.676 13.152 8.728 1.00 23.33 H new ATOM 985 N TRP A 62 9.771 6.886 5.895 1.00 45.33 N ATOM 986 CA TRP A 62 10.533 6.058 4.967 1.00 74.52 C ATOM 987 C TRP A 62 10.163 6.387 3.520 1.00 14.12 C ATOM 988 O TRP A 62 9.257 7.183 3.261 1.00 0.00 O ATOM 989 CB TRP A 62 10.312 4.565 5.294 1.00 72.22 C ATOM 990 CG TRP A 62 9.390 3.914 4.309 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.124 4.306 4.046 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.646 2.756 3.464 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.585 3.461 3.091 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.485 2.489 2.702 1.00 2.15 C ATOM 995 CE3 TRP A 62 10.762 1.918 3.287 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.433 1.428 1.795 1.00 14.44 C ATOM 997 CZ3 TRP A 62 10.714 0.851 2.376 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.550 0.606 1.632 1.00 70.52 C ATOM 0 H TRP A 62 8.893 7.249 5.524 1.00 45.33 H new ATOM 0 HA TRP A 62 11.595 6.273 5.082 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.271 4.046 5.293 1.00 72.22 H new ATOM 0 HB3 TRP A 62 9.899 4.469 6.298 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.616 5.141 4.505 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.639 3.546 2.720 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.662 2.097 3.856 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.535 1.245 1.224 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.578 0.215 2.247 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.518 -0.217 0.934 1.00 70.52 H new ATOM 1009 N GLU A 63 10.882 5.772 2.585 1.00 12.11 N ATOM 1010 CA GLU A 63 10.648 6.005 1.159 1.00 40.41 C ATOM 1011 C GLU A 63 10.276 4.709 0.446 1.00 43.12 C ATOM 1012 O GLU A 63 10.485 3.615 0.970 1.00 43.41 O ATOM 1013 CB GLU A 63 11.909 6.600 0.528 1.00 23.13 C ATOM 1014 CG GLU A 63 11.593 7.140 -0.868 1.00 20.21 C ATOM 1015 CD GLU A 63 12.753 7.998 -1.361 1.00 53.42 C ATOM 1016 OE1 GLU A 63 13.845 7.469 -1.482 1.00 63.30 O ATOM 1017 OE2 GLU A 63 12.532 9.172 -1.607 1.00 2.33 O ATOM 0 H GLU A 63 11.631 5.109 2.786 1.00 12.11 H new ATOM 0 HA GLU A 63 9.817 6.702 1.053 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.297 7.401 1.157 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.687 5.839 0.465 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.420 6.314 -1.558 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.677 7.730 -0.842 1.00 20.21 H new ATOM 1024 N THR A 64 9.716 4.845 -0.755 1.00 42.12 N ATOM 1025 CA THR A 64 9.306 3.686 -1.543 1.00 71.14 C ATOM 1026 C THR A 64 9.432 3.985 -3.035 1.00 41.23 C ATOM 1027 O THR A 64 9.173 5.105 -3.476 1.00 12.21 O ATOM 1028 CB THR A 64 7.857 3.328 -1.213 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.676 3.350 0.196 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.534 1.933 -1.752 1.00 54.24 C ATOM 0 H THR A 64 9.537 5.744 -1.202 1.00 42.12 H new ATOM 0 HA THR A 64 9.956 2.846 -1.297 1.00 71.14 H new ATOM 0 HB THR A 64 7.189 4.054 -1.677 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.420 2.881 0.629 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.500 1.682 -1.515 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.672 1.920 -2.833 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.200 1.202 -1.293 1.00 54.24 H new ATOM 1038 N THR A 65 9.835 2.977 -3.809 1.00 41.52 N ATOM 1039 CA THR A 65 9.997 3.142 -5.254 1.00 24.34 C ATOM 1040 C THR A 65 8.842 2.489 -6.009 1.00 43.03 C ATOM 1041 O THR A 65 8.543 1.314 -5.802 1.00 10.41 O ATOM 1042 CB THR A 65 11.317 2.510 -5.701 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.384 3.065 -4.945 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.543 2.789 -7.188 1.00 44.02 C ATOM 0 H THR A 65 10.054 2.043 -3.463 1.00 41.52 H new ATOM 0 HA THR A 65 10.002 4.209 -5.479 1.00 24.34 H new ATOM 0 HB THR A 65 11.277 1.433 -5.540 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.231 2.661 -5.228 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.484 2.338 -7.504 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.724 2.363 -7.767 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.583 3.866 -7.354 1.00 44.02 H new ATOM 1052 N PHE A 66 8.194 3.258 -6.890 1.00 12.55 N ATOM 1053 CA PHE A 66 7.069 2.750 -7.675 1.00 53.42 C ATOM 1054 C PHE A 66 7.403 2.825 -9.163 1.00 14.12 C ATOM 1055 O PHE A 66 7.904 3.839 -9.640 1.00 11.14 O ATOM 1056 CB PHE A 66 5.824 3.606 -7.397 1.00 20.52 C ATOM 1057 CG PHE A 66 5.120 3.114 -6.156 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.645 3.401 -4.892 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.936 2.377 -6.272 1.00 51.21 C ATOM 1060 CE1 PHE A 66 4.986 2.948 -3.744 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.279 1.924 -5.125 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.804 2.209 -3.861 1.00 21.23 C ATOM 0 H PHE A 66 8.430 4.233 -7.076 1.00 12.55 H new ATOM 0 HA PHE A 66 6.876 1.714 -7.396 1.00 53.42 H new ATOM 0 HB2 PHE A 66 6.112 4.650 -7.271 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.146 3.563 -8.250 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.558 3.971 -4.802 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.530 2.158 -7.249 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.390 3.169 -2.767 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.366 1.354 -5.215 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.297 1.858 -2.974 1.00 21.23 H new ATOM 1072 N LYS A 67 7.120 1.745 -9.892 1.00 4.55 N ATOM 1073 CA LYS A 67 7.396 1.703 -11.330 1.00 22.14 C ATOM 1074 C LYS A 67 6.103 1.541 -12.120 1.00 51.00 C ATOM 1075 O LYS A 67 5.163 0.891 -11.666 1.00 74.14 O ATOM 1076 CB LYS A 67 8.328 0.534 -11.657 1.00 64.21 C ATOM 1077 CG LYS A 67 9.717 0.784 -11.058 1.00 74.21 C ATOM 1078 CD LYS A 67 10.751 -0.053 -11.812 1.00 73.23 C ATOM 1079 CE LYS A 67 12.056 -0.098 -11.015 1.00 12.53 C ATOM 1080 NZ LYS A 67 13.084 -0.852 -11.788 1.00 31.10 N ATOM 0 H LYS A 67 6.703 0.894 -9.515 1.00 4.55 H new ATOM 0 HA LYS A 67 7.874 2.642 -11.609 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.914 -0.393 -11.261 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.406 0.412 -12.737 1.00 64.21 H new ATOM 0 HG2 LYS A 67 9.970 1.842 -11.126 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.722 0.522 -10.000 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.373 -1.063 -11.967 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.930 0.375 -12.798 1.00 73.23 H new ATOM 0 HE2 LYS A 67 12.407 0.914 -10.814 1.00 12.53 H new ATOM 0 HE3 LYS A 67 11.889 -0.575 -10.049 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 13.972 -0.883 -11.247 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 12.748 -1.821 -11.958 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 13.250 -0.378 -12.699 1.00 31.10 H new ATOM 1094 N LYS A 68 6.059 2.153 -13.299 1.00 42.54 N ATOM 1095 CA LYS A 68 4.867 2.084 -14.138 1.00 11.20 C ATOM 1096 C LYS A 68 4.681 0.684 -14.715 1.00 14.51 C ATOM 1097 O LYS A 68 5.594 0.121 -15.320 1.00 52.12 O ATOM 1098 CB LYS A 68 4.970 3.097 -15.283 1.00 72.34 C ATOM 1099 CG LYS A 68 3.576 3.383 -15.847 1.00 60.01 C ATOM 1100 CD LYS A 68 3.693 4.336 -17.039 1.00 21.14 C ATOM 1101 CE LYS A 68 2.298 4.633 -17.595 1.00 14.22 C ATOM 1102 NZ LYS A 68 1.393 5.028 -16.479 1.00 41.20 N ATOM 0 H LYS A 68 6.827 2.697 -13.693 1.00 42.54 H new ATOM 0 HA LYS A 68 4.005 2.321 -13.515 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.424 4.021 -14.924 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.618 2.708 -16.069 1.00 72.34 H new ATOM 0 HG2 LYS A 68 3.100 2.453 -16.157 1.00 60.01 H new ATOM 0 HG3 LYS A 68 2.944 3.824 -15.076 1.00 60.01 H new ATOM 0 HD2 LYS A 68 4.178 5.262 -16.731 1.00 21.14 H new ATOM 0 HD3 LYS A 68 4.318 3.891 -17.814 1.00 21.14 H new ATOM 0 HE2 LYS A 68 2.352 5.432 -18.334 1.00 14.22 H new ATOM 0 HE3 LYS A 68 1.903 3.754 -18.104 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 0.680 5.698 -16.831 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 0.918 4.183 -16.101 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 1.949 5.479 -15.724 1.00 41.20 H new ATOM 1116 N THR A 69 3.484 0.134 -14.529 1.00 33.34 N ATOM 1117 CA THR A 69 3.163 -1.200 -15.034 1.00 0.52 C ATOM 1118 C THR A 69 1.885 -1.149 -15.864 1.00 24.32 C ATOM 1119 O THR A 69 1.185 -0.136 -15.878 1.00 12.35 O ATOM 1120 CB THR A 69 2.973 -2.169 -13.866 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.550 -3.430 -14.364 1.00 33.32 O ATOM 1122 CG2 THR A 69 1.917 -1.614 -12.908 1.00 43.53 C ATOM 0 H THR A 69 2.719 0.591 -14.032 1.00 33.34 H new ATOM 0 HA THR A 69 3.986 -1.546 -15.660 1.00 0.52 H new ATOM 0 HB THR A 69 3.916 -2.287 -13.333 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.429 -4.053 -13.617 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.782 -2.305 -12.076 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.244 -0.646 -12.527 1.00 43.53 H new ATOM 0 HG23 THR A 69 0.972 -1.495 -13.438 1.00 43.53 H new ATOM 1130 N SER A 70 1.580 -2.246 -16.550 1.00 73.34 N ATOM 1131 CA SER A 70 0.375 -2.312 -17.374 1.00 21.14 C ATOM 1132 C SER A 70 -0.762 -2.956 -16.595 1.00 62.34 C ATOM 1133 O SER A 70 -1.850 -3.172 -17.130 1.00 33.02 O ATOM 1134 CB SER A 70 0.650 -3.114 -18.645 1.00 1.13 C ATOM 1135 OG SER A 70 0.683 -4.500 -18.328 1.00 23.12 O ATOM 0 H SER A 70 2.144 -3.096 -16.553 1.00 73.34 H new ATOM 0 HA SER A 70 0.086 -1.297 -17.648 1.00 21.14 H new ATOM 0 HB2 SER A 70 -0.123 -2.917 -19.387 1.00 1.13 H new ATOM 0 HB3 SER A 70 1.599 -2.807 -19.084 1.00 1.13 H new ATOM 0 HG SER A 70 0.858 -5.018 -19.142 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.480 -3.274 -15.335 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.451 -3.919 -14.443 1.00 64.20 C ATOM 1143 C ASP A 71 -2.893 -3.721 -14.905 1.00 33.31 C ATOM 1144 O ASP A 71 -3.661 -4.682 -14.962 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.295 -3.369 -13.024 1.00 73.54 C ATOM 1146 CG ASP A 71 -2.038 -4.262 -12.036 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -3.182 -4.589 -12.307 1.00 12.33 O ATOM 1148 OD2 ASP A 71 -1.453 -4.609 -11.023 1.00 13.14 O ATOM 0 H ASP A 71 0.425 -3.094 -14.900 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.243 -4.989 -14.463 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.239 -3.318 -12.758 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.686 -2.353 -12.974 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.265 -2.486 -15.236 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.623 -2.213 -15.688 1.00 32.43 C ATOM 1155 C ASP A 72 -4.754 -0.760 -16.127 1.00 74.41 C ATOM 1156 O ASP A 72 -5.144 0.107 -15.345 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.622 -2.506 -14.571 1.00 3.42 C ATOM 1158 CG ASP A 72 -7.021 -2.054 -14.980 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -7.244 -1.892 -16.168 1.00 4.41 O ATOM 1160 OD2 ASP A 72 -7.846 -1.878 -14.099 1.00 4.42 O ATOM 0 H ASP A 72 -2.653 -1.671 -15.200 1.00 44.42 H new ATOM 0 HA ASP A 72 -4.839 -2.861 -16.538 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.627 -3.573 -14.349 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -5.319 -1.993 -13.659 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.427 -0.509 -17.385 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.510 0.838 -17.935 1.00 13.45 C ATOM 1167 C GLY A 73 -3.310 1.681 -17.513 1.00 4.30 C ATOM 1168 O GLY A 73 -2.209 1.517 -18.037 1.00 13.04 O ATOM 0 H GLY A 73 -4.102 -1.217 -18.044 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.558 0.787 -19.023 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.430 1.315 -17.598 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.530 2.573 -16.550 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.462 3.438 -16.038 1.00 24.41 C ATOM 1174 C GLU A 74 -2.304 3.243 -14.533 1.00 21.41 C ATOM 1175 O GLU A 74 -2.986 3.900 -13.745 1.00 30.23 O ATOM 1176 CB GLU A 74 -2.795 4.901 -16.329 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.801 5.132 -17.841 1.00 32.41 C ATOM 1178 CD GLU A 74 -3.051 6.606 -18.142 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -4.186 7.034 -18.009 1.00 13.01 O ATOM 1180 OE2 GLU A 74 -2.103 7.286 -18.501 1.00 33.22 O ATOM 0 H GLU A 74 -4.437 2.718 -16.106 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.528 3.172 -16.533 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -3.768 5.154 -15.908 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -2.062 5.553 -15.854 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -1.848 4.822 -18.268 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -3.574 4.521 -18.308 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.421 2.333 -14.131 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.208 2.058 -12.708 1.00 74.13 C ATOM 1189 C VAL A 75 0.273 1.952 -12.373 1.00 54.35 C ATOM 1190 O VAL A 75 1.083 1.544 -13.206 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.911 0.764 -12.305 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.774 0.564 -10.787 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.393 0.845 -12.698 1.00 23.10 C ATOM 0 H VAL A 75 -0.845 1.776 -14.762 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.629 2.894 -12.149 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.454 -0.082 -12.819 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.275 -0.359 -10.495 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.718 0.504 -10.522 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.232 1.405 -10.266 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.897 -0.078 -12.411 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.860 1.687 -12.187 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.477 0.984 -13.776 1.00 23.10 H new ATOM 1203 N TYR A 76 0.615 2.312 -11.137 1.00 20.31 N ATOM 1204 CA TYR A 76 2.000 2.249 -10.674 1.00 54.31 C ATOM 1205 C TYR A 76 2.113 1.203 -9.565 1.00 3.43 C ATOM 1206 O TYR A 76 1.131 0.911 -8.885 1.00 71.11 O ATOM 1207 CB TYR A 76 2.423 3.629 -10.174 1.00 25.33 C ATOM 1208 CG TYR A 76 2.030 4.645 -11.222 1.00 1.12 C ATOM 1209 CD1 TYR A 76 2.871 4.882 -12.316 1.00 73.11 C ATOM 1210 CD2 TYR A 76 0.817 5.334 -11.112 1.00 11.12 C ATOM 1211 CE1 TYR A 76 2.500 5.808 -13.298 1.00 11.35 C ATOM 1212 CE2 TYR A 76 0.448 6.262 -12.094 1.00 72.52 C ATOM 1213 CZ TYR A 76 1.289 6.499 -13.186 1.00 4.34 C ATOM 1214 OH TYR A 76 0.923 7.411 -14.155 1.00 23.33 O ATOM 0 H TYR A 76 -0.047 2.650 -10.439 1.00 20.31 H new ATOM 0 HA TYR A 76 2.662 1.958 -11.490 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.939 3.855 -9.224 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.498 3.658 -9.999 1.00 25.33 H new ATOM 0 HD1 TYR A 76 3.807 4.350 -12.402 1.00 73.11 H new ATOM 0 HD2 TYR A 76 0.166 5.150 -10.270 1.00 11.12 H new ATOM 0 HE1 TYR A 76 3.149 5.989 -14.142 1.00 11.35 H new ATOM 0 HE2 TYR A 76 -0.487 6.795 -12.008 1.00 72.52 H new ATOM 0 HH TYR A 76 0.054 7.801 -13.926 1.00 23.33 H new ATOM 1224 N TYR A 77 3.307 0.633 -9.386 1.00 13.23 N ATOM 1225 CA TYR A 77 3.492 -0.388 -8.350 1.00 64.31 C ATOM 1226 C TYR A 77 4.941 -0.492 -7.876 1.00 23.13 C ATOM 1227 O TYR A 77 5.873 -0.417 -8.676 1.00 24.02 O ATOM 1228 CB TYR A 77 3.016 -1.753 -8.884 1.00 54.32 C ATOM 1229 CG TYR A 77 4.155 -2.482 -9.567 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.623 -2.044 -10.811 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.744 -3.595 -8.952 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.678 -2.716 -11.440 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.799 -4.267 -9.580 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.266 -3.828 -10.825 1.00 23.33 C ATOM 1235 OH TYR A 77 7.305 -4.490 -11.445 1.00 34.21 O ATOM 0 H TYR A 77 4.142 0.853 -9.929 1.00 13.23 H new ATOM 0 HA TYR A 77 2.896 -0.089 -7.488 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.630 -2.357 -8.063 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.195 -1.609 -9.587 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.170 -1.187 -11.286 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.383 -3.935 -7.992 1.00 72.44 H new ATOM 0 HE1 TYR A 77 6.038 -2.377 -12.400 1.00 15.25 H new ATOM 0 HE2 TYR A 77 6.253 -5.124 -9.104 1.00 14.12 H new ATOM 0 HH TYR A 77 7.598 -5.237 -10.883 1.00 34.21 H new ATOM 1245 N SER A 78 5.118 -0.705 -6.571 1.00 34.12 N ATOM 1246 CA SER A 78 6.451 -0.866 -5.997 1.00 44.32 C ATOM 1247 C SER A 78 6.718 -2.351 -5.762 1.00 31.35 C ATOM 1248 O SER A 78 6.198 -2.946 -4.818 1.00 51.51 O ATOM 1249 CB SER A 78 6.539 -0.115 -4.670 1.00 72.53 C ATOM 1250 OG SER A 78 7.797 -0.379 -4.062 1.00 63.21 O ATOM 0 H SER A 78 4.357 -0.770 -5.895 1.00 34.12 H new ATOM 0 HA SER A 78 7.194 -0.461 -6.684 1.00 44.32 H new ATOM 0 HB2 SER A 78 6.420 0.956 -4.837 1.00 72.53 H new ATOM 0 HB3 SER A 78 5.730 -0.426 -4.009 1.00 72.53 H new ATOM 0 HG SER A 78 8.504 0.080 -4.561 1.00 63.21 H new ATOM 1256 N GLU A 79 7.514 -2.946 -6.641 1.00 62.43 N ATOM 1257 CA GLU A 79 7.827 -4.369 -6.545 1.00 61.20 C ATOM 1258 C GLU A 79 8.417 -4.732 -5.183 1.00 63.04 C ATOM 1259 O GLU A 79 8.114 -5.791 -4.630 1.00 34.22 O ATOM 1260 CB GLU A 79 8.819 -4.753 -7.644 1.00 63.42 C ATOM 1261 CG GLU A 79 8.899 -6.278 -7.750 1.00 51.11 C ATOM 1262 CD GLU A 79 9.968 -6.675 -8.762 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.588 -5.784 -9.318 1.00 33.42 O ATOM 1264 OE2 GLU A 79 10.151 -7.864 -8.964 1.00 14.04 O ATOM 0 H GLU A 79 7.955 -2.468 -7.427 1.00 62.43 H new ATOM 0 HA GLU A 79 6.895 -4.921 -6.667 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.505 -4.328 -8.597 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.803 -4.341 -7.420 1.00 63.42 H new ATOM 0 HG2 GLU A 79 9.132 -6.707 -6.775 1.00 51.11 H new ATOM 0 HG3 GLU A 79 7.932 -6.681 -8.053 1.00 51.11 H new ATOM 1271 N GLU A 80 9.277 -3.869 -4.657 1.00 52.34 N ATOM 1272 CA GLU A 80 9.920 -4.133 -3.373 1.00 52.25 C ATOM 1273 C GLU A 80 8.939 -4.033 -2.205 1.00 12.04 C ATOM 1274 O GLU A 80 9.092 -4.732 -1.202 1.00 24.00 O ATOM 1275 CB GLU A 80 11.070 -3.146 -3.157 1.00 55.45 C ATOM 1276 CG GLU A 80 10.512 -1.728 -3.018 1.00 30.33 C ATOM 1277 CD GLU A 80 11.653 -0.717 -3.021 1.00 21.44 C ATOM 1278 OE1 GLU A 80 12.718 -1.056 -3.512 1.00 63.24 O ATOM 1279 OE2 GLU A 80 11.447 0.383 -2.533 1.00 35.03 O ATOM 0 H GLU A 80 9.545 -2.987 -5.094 1.00 52.34 H new ATOM 0 HA GLU A 80 10.299 -5.154 -3.403 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.631 -3.416 -2.262 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.765 -3.193 -3.995 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.825 -1.516 -3.838 1.00 30.33 H new ATOM 0 HG3 GLU A 80 9.941 -1.642 -2.094 1.00 30.33 H new ATOM 1286 N ALA A 81 7.946 -3.153 -2.321 1.00 65.34 N ATOM 1287 CA ALA A 81 6.968 -2.966 -1.243 1.00 42.10 C ATOM 1288 C ALA A 81 5.626 -3.622 -1.567 1.00 0.31 C ATOM 1289 O ALA A 81 4.650 -3.420 -0.842 1.00 12.34 O ATOM 1290 CB ALA A 81 6.756 -1.471 -0.995 1.00 60.53 C ATOM 0 H ALA A 81 7.795 -2.563 -3.139 1.00 65.34 H new ATOM 0 HA ALA A 81 7.367 -3.445 -0.349 1.00 42.10 H new ATOM 0 HB1 ALA A 81 6.029 -1.334 -0.194 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.702 -1.012 -0.709 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.385 -1.000 -1.905 1.00 60.53 H new ATOM 1296 N LYS A 82 5.576 -4.406 -2.644 1.00 21.31 N ATOM 1297 CA LYS A 82 4.332 -5.081 -3.034 1.00 52.21 C ATOM 1298 C LYS A 82 3.125 -4.191 -2.741 1.00 44.35 C ATOM 1299 O LYS A 82 2.245 -4.548 -1.952 1.00 2.02 O ATOM 1300 CB LYS A 82 4.197 -6.403 -2.275 1.00 74.04 C ATOM 1301 CG LYS A 82 5.403 -7.295 -2.586 1.00 42.22 C ATOM 1302 CD LYS A 82 5.167 -8.700 -2.024 1.00 33.13 C ATOM 1303 CE LYS A 82 4.958 -8.628 -0.509 1.00 64.01 C ATOM 1304 NZ LYS A 82 5.890 -7.625 0.081 1.00 52.33 N ATOM 0 H LYS A 82 6.370 -4.590 -3.257 1.00 21.31 H new ATOM 0 HA LYS A 82 4.367 -5.281 -4.105 1.00 52.21 H new ATOM 0 HB2 LYS A 82 4.137 -6.215 -1.203 1.00 74.04 H new ATOM 0 HB3 LYS A 82 3.274 -6.907 -2.562 1.00 74.04 H new ATOM 0 HG2 LYS A 82 5.561 -7.346 -3.663 1.00 42.22 H new ATOM 0 HG3 LYS A 82 6.306 -6.866 -2.151 1.00 42.22 H new ATOM 0 HD2 LYS A 82 4.295 -9.149 -2.499 1.00 33.13 H new ATOM 0 HD3 LYS A 82 6.019 -9.340 -2.252 1.00 33.13 H new ATOM 0 HE2 LYS A 82 3.926 -8.354 -0.287 1.00 64.01 H new ATOM 0 HE3 LYS A 82 5.131 -9.607 -0.062 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 6.024 -7.828 1.092 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 6.807 -7.675 -0.406 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 5.490 -6.672 -0.031 1.00 52.33 H new ATOM 1318 N LYS A 83 3.104 -3.032 -3.394 1.00 4.20 N ATOM 1319 CA LYS A 83 2.022 -2.065 -3.216 1.00 70.41 C ATOM 1320 C LYS A 83 1.690 -1.379 -4.536 1.00 2.53 C ATOM 1321 O LYS A 83 2.582 -0.934 -5.257 1.00 64.44 O ATOM 1322 CB LYS A 83 2.434 -1.017 -2.182 1.00 33.14 C ATOM 1323 CG LYS A 83 1.339 0.043 -2.057 1.00 34.14 C ATOM 1324 CD LYS A 83 1.642 0.953 -0.863 1.00 35.04 C ATOM 1325 CE LYS A 83 0.835 2.249 -0.985 1.00 11.14 C ATOM 1326 NZ LYS A 83 0.708 2.882 0.358 1.00 33.21 N ATOM 0 H LYS A 83 3.825 -2.738 -4.053 1.00 4.20 H new ATOM 0 HA LYS A 83 1.136 -2.596 -2.867 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.605 -1.493 -1.216 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.373 -0.550 -2.478 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.283 0.633 -2.972 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.368 -0.435 -1.926 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.392 0.444 0.068 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.708 1.179 -0.826 1.00 35.04 H new ATOM 0 HE2 LYS A 83 1.327 2.933 -1.676 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -0.153 2.038 -1.395 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -0.284 3.148 0.524 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 1.013 2.209 1.089 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.306 3.732 0.399 1.00 33.21 H new ATOM 1340 N LYS A 84 0.400 -1.334 -4.860 1.00 61.33 N ATOM 1341 CA LYS A 84 -0.055 -0.734 -6.116 1.00 15.13 C ATOM 1342 C LYS A 84 -1.085 0.360 -5.883 1.00 33.04 C ATOM 1343 O LYS A 84 -2.044 0.177 -5.132 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.669 -1.834 -6.985 1.00 63.23 C ATOM 1345 CG LYS A 84 -0.875 -1.325 -8.409 1.00 1.24 C ATOM 1346 CD LYS A 84 -1.610 -2.389 -9.237 1.00 22.24 C ATOM 1347 CE LYS A 84 -3.098 -2.422 -8.865 1.00 73.10 C ATOM 1348 NZ LYS A 84 -3.868 -3.063 -9.968 1.00 24.43 N ATOM 0 H LYS A 84 -0.348 -1.704 -4.274 1.00 61.33 H new ATOM 0 HA LYS A 84 0.802 -0.277 -6.611 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -0.017 -2.708 -6.994 1.00 63.23 H new ATOM 0 HB3 LYS A 84 -1.622 -2.152 -6.563 1.00 63.23 H new ATOM 0 HG2 LYS A 84 -1.451 -0.399 -8.395 1.00 1.24 H new ATOM 0 HG3 LYS A 84 0.087 -1.095 -8.866 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -1.499 -2.173 -10.300 1.00 22.24 H new ATOM 0 HD3 LYS A 84 -1.163 -3.368 -9.062 1.00 22.24 H new ATOM 0 HE2 LYS A 84 -3.240 -2.976 -7.937 1.00 73.10 H new ATOM 0 HE3 LYS A 84 -3.464 -1.410 -8.691 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -4.886 -2.936 -9.800 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -3.609 -2.622 -10.874 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -3.646 -4.079 -10.002 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.895 1.495 -6.567 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.837 2.603 -6.457 1.00 33.14 C ATOM 1364 C VAL A 85 -2.191 3.127 -7.848 1.00 25.24 C ATOM 1365 O VAL A 85 -1.316 3.409 -8.667 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.256 3.707 -5.538 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.392 3.047 -4.461 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.398 4.755 -6.301 1.00 32.55 C ATOM 0 H VAL A 85 -0.108 1.664 -7.193 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.762 2.256 -5.997 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.101 4.242 -5.105 1.00 5.13 H new ATOM 0 HG11 VAL A 85 0.023 3.814 -3.807 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -1.003 2.361 -3.874 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.420 2.495 -4.934 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.022 5.499 -5.598 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.442 4.255 -6.784 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -1.011 5.247 -7.056 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.499 3.195 -8.118 1.00 74.44 N ATOM 1379 CA GLU A 86 -4.000 3.621 -9.429 1.00 64.25 C ATOM 1380 C GLU A 86 -4.931 4.814 -9.316 1.00 40.21 C ATOM 1381 O GLU A 86 -5.809 4.855 -8.455 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.771 2.469 -10.081 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.900 2.018 -9.149 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.500 0.711 -9.654 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -7.212 0.752 -10.645 1.00 20.02 O ATOM 1386 OE2 GLU A 86 -6.241 -0.312 -9.042 1.00 42.40 O ATOM 0 H GLU A 86 -4.230 2.961 -7.446 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.138 3.906 -10.032 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.181 2.788 -11.039 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.098 1.636 -10.284 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.517 1.885 -8.137 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.671 2.787 -9.099 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.735 5.786 -10.198 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.568 6.978 -10.188 1.00 71.31 C ATOM 1395 C VAL A 87 -7.042 6.615 -10.375 1.00 43.10 C ATOM 1396 O VAL A 87 -7.524 6.461 -11.497 1.00 5.40 O ATOM 1397 CB VAL A 87 -5.108 7.933 -11.302 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.761 7.124 -12.555 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.218 8.948 -11.634 1.00 45.42 C ATOM 0 H VAL A 87 -4.015 5.772 -10.921 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.464 7.472 -9.222 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.228 8.477 -10.959 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.435 7.800 -13.346 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -3.960 6.422 -12.324 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.641 6.574 -12.888 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.876 9.616 -12.424 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -7.109 8.416 -11.969 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.456 9.531 -10.744 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.750 6.506 -9.256 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.177 6.191 -9.273 1.00 14.04 C ATOM 1411 C LEU A 88 -9.949 7.502 -9.365 1.00 60.34 C ATOM 1412 O LEU A 88 -11.116 7.548 -9.752 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.552 5.427 -7.987 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.662 4.396 -8.258 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.881 5.095 -8.865 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.155 3.299 -9.217 1.00 14.00 C ATOM 0 H LEU A 88 -7.359 6.631 -8.322 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.424 5.560 -10.127 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.671 4.922 -7.591 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -9.885 6.132 -7.225 1.00 42.12 H new ATOM 0 HG LEU A 88 -10.946 3.930 -7.314 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.664 4.361 -9.055 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.251 5.849 -8.171 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.597 5.573 -9.802 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.952 2.578 -9.399 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.854 3.752 -10.161 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.301 2.791 -8.770 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.245 8.566 -9.018 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.771 9.920 -9.050 1.00 52.10 C ATOM 1430 C ASP A 89 -8.647 10.837 -8.585 1.00 22.01 C ATOM 1431 O ASP A 89 -8.125 10.666 -7.484 1.00 32.14 O ATOM 1432 CB ASP A 89 -10.999 10.058 -8.129 1.00 0.24 C ATOM 1433 CG ASP A 89 -12.041 10.978 -8.761 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -12.685 10.551 -9.705 1.00 3.45 O ATOM 1435 OD2 ASP A 89 -12.178 12.096 -8.292 1.00 22.13 O ATOM 0 H ASP A 89 -8.277 8.512 -8.701 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.101 10.181 -10.056 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.436 9.076 -7.946 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.693 10.456 -7.162 1.00 0.24 H new ATOM 1440 N THR A 90 -8.246 11.783 -9.423 1.00 61.52 N ATOM 1441 CA THR A 90 -7.147 12.669 -9.056 1.00 2.42 C ATOM 1442 C THR A 90 -7.338 14.059 -9.660 1.00 13.23 C ATOM 1443 O THR A 90 -7.467 14.215 -10.874 1.00 1.21 O ATOM 1444 CB THR A 90 -5.818 12.022 -9.512 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.761 12.347 -8.611 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.447 12.486 -10.925 1.00 23.33 C ATOM 0 H THR A 90 -8.653 11.956 -10.342 1.00 61.52 H new ATOM 0 HA THR A 90 -7.125 12.802 -7.974 1.00 2.42 H new ATOM 0 HB THR A 90 -5.959 10.941 -9.517 1.00 74.32 H new ATOM 0 HG1 THR A 90 -3.934 12.495 -9.116 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.509 12.019 -11.227 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.235 12.199 -11.621 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.332 13.570 -10.934 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.338 15.063 -8.794 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.491 16.445 -9.231 1.00 21.22 C ATOM 1456 C ASP A 91 -6.130 17.005 -9.605 1.00 33.12 C ATOM 1457 O ASP A 91 -6.013 17.889 -10.454 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.095 17.283 -8.110 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.508 18.651 -8.642 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -9.612 18.760 -9.150 1.00 51.45 O ATOM 1461 OD2 ASP A 91 -7.714 19.571 -8.532 1.00 24.44 O ATOM 0 H ASP A 91 -7.234 14.947 -7.786 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.154 16.478 -10.096 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -8.961 16.771 -7.689 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.371 17.401 -7.304 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.099 16.463 -8.966 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.732 16.882 -9.228 1.00 12.11 C ATOM 1468 C TYR A 92 -3.546 18.373 -8.957 1.00 0.24 C ATOM 1469 O TYR A 92 -2.570 18.964 -9.417 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.367 16.565 -10.695 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.334 15.461 -10.754 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.548 14.269 -10.055 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.164 15.632 -11.506 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.595 13.247 -10.107 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.211 14.608 -11.557 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.427 13.417 -10.858 1.00 41.01 C ATOM 1477 OH TYR A 92 0.514 12.412 -10.905 1.00 3.13 O ATOM 0 H TYR A 92 -5.187 15.731 -8.261 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.071 16.334 -8.556 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.261 16.265 -11.242 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -2.980 17.460 -11.182 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.449 14.138 -9.475 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -0.998 16.553 -12.046 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.761 12.326 -9.567 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.691 14.738 -12.136 1.00 15.14 H new ATOM 0 HH TYR A 92 1.263 12.692 -11.471 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.471 18.993 -8.223 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.353 20.418 -7.940 1.00 2.32 C ATOM 1489 C LYS A 93 -5.066 20.774 -6.636 1.00 43.41 C ATOM 1490 O LYS A 93 -4.726 21.761 -5.985 1.00 54.34 O ATOM 1491 CB LYS A 93 -4.975 21.217 -9.085 1.00 54.15 C ATOM 1492 CG LYS A 93 -4.512 22.674 -9.011 1.00 14.21 C ATOM 1493 CD LYS A 93 -5.201 23.485 -10.110 1.00 4.50 C ATOM 1494 CE LYS A 93 -4.600 24.891 -10.162 1.00 33.33 C ATOM 1495 NZ LYS A 93 -5.251 25.668 -11.254 1.00 22.14 N ATOM 0 H LYS A 93 -5.292 18.540 -7.822 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.296 20.664 -7.840 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -4.687 20.782 -10.042 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -6.062 21.168 -9.027 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -4.749 23.093 -8.033 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -3.430 22.729 -9.128 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -5.078 22.990 -11.073 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -6.272 23.543 -9.916 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -4.744 25.395 -9.206 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -3.525 24.833 -10.333 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -4.843 26.624 -11.290 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -5.092 25.189 -12.163 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -6.273 25.734 -11.072 1.00 22.14 H new ATOM 1509 N SER A 94 -6.071 19.975 -6.268 1.00 53.35 N ATOM 1510 CA SER A 94 -6.839 20.231 -5.045 1.00 43.51 C ATOM 1511 C SER A 94 -6.892 18.995 -4.149 1.00 32.43 C ATOM 1512 O SER A 94 -6.469 19.043 -2.994 1.00 70.12 O ATOM 1513 CB SER A 94 -8.263 20.652 -5.412 1.00 31.12 C ATOM 1514 OG SER A 94 -8.213 21.612 -6.458 1.00 62.14 O ATOM 0 H SER A 94 -6.370 19.153 -6.793 1.00 53.35 H new ATOM 0 HA SER A 94 -6.341 21.030 -4.496 1.00 43.51 H new ATOM 0 HB2 SER A 94 -8.842 19.784 -5.727 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.766 21.072 -4.541 1.00 31.12 H new ATOM 0 HG SER A 94 -8.045 21.159 -7.310 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.418 17.892 -4.677 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.521 16.659 -3.898 1.00 5.52 C ATOM 1522 C TYR A 95 -7.575 15.450 -4.823 1.00 54.54 C ATOM 1523 O TYR A 95 -7.900 15.581 -6.001 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.783 16.697 -3.038 1.00 44.14 C ATOM 1525 CG TYR A 95 -9.942 17.175 -3.878 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.712 16.255 -4.601 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.246 18.541 -3.939 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.785 16.699 -5.382 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.319 18.986 -4.722 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.088 18.065 -5.443 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.145 18.503 -6.214 1.00 65.12 O ATOM 0 H TYR A 95 -7.776 17.826 -5.630 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.643 16.576 -3.257 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -8.994 15.706 -2.637 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.637 17.361 -2.186 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.477 15.202 -4.556 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -9.653 19.251 -3.382 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.379 15.989 -5.937 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.553 20.039 -4.769 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.219 19.478 -6.144 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.250 14.271 -4.295 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.267 13.064 -5.118 1.00 22.30 C ATOM 1543 C ALA A 96 -7.660 11.829 -4.316 1.00 13.33 C ATOM 1544 O ALA A 96 -7.267 11.666 -3.160 1.00 32.15 O ATOM 1545 CB ALA A 96 -5.885 12.836 -5.738 1.00 34.42 C ATOM 0 H ALA A 96 -6.977 14.127 -3.323 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.014 13.215 -5.897 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -5.905 11.934 -6.350 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.620 13.691 -6.360 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.145 12.720 -4.946 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.415 10.945 -4.966 1.00 41.15 N ATOM 1552 CA VAL A 97 -8.846 9.689 -4.352 1.00 53.33 C ATOM 1553 C VAL A 97 -8.258 8.551 -5.169 1.00 34.43 C ATOM 1554 O VAL A 97 -8.483 8.473 -6.377 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.382 9.594 -4.329 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -10.839 8.648 -3.211 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -10.973 10.988 -4.096 1.00 45.23 C ATOM 0 H VAL A 97 -8.743 11.076 -5.923 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.500 9.637 -3.320 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.729 9.202 -5.285 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -11.927 8.590 -3.206 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.423 7.655 -3.382 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.491 9.026 -2.250 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.061 10.924 -4.079 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.618 11.379 -3.143 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.661 11.654 -4.900 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.450 7.712 -4.533 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.773 6.633 -5.243 1.00 32.23 C ATOM 1569 C ILE A 98 -6.992 5.284 -4.566 1.00 22.44 C ATOM 1570 O ILE A 98 -7.156 5.202 -3.349 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.282 6.962 -5.273 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.108 8.447 -5.641 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.561 6.087 -6.301 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.640 8.847 -5.532 1.00 53.14 C ATOM 0 H ILE A 98 -7.248 7.756 -3.534 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.181 6.555 -6.251 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.850 6.767 -4.292 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.466 8.622 -6.655 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.712 9.067 -4.978 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.500 6.335 -6.309 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.687 5.037 -6.037 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -4.983 6.265 -7.290 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.529 9.899 -5.795 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.295 8.690 -4.510 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.046 8.238 -6.213 1.00 53.14 H new ATOM 1586 N TYR A 99 -7.000 4.229 -5.376 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.207 2.877 -4.867 1.00 44.33 C ATOM 1588 C TYR A 99 -5.862 2.187 -4.629 1.00 11.43 C ATOM 1589 O TYR A 99 -5.170 1.799 -5.570 1.00 12.40 O ATOM 1590 CB TYR A 99 -8.033 2.073 -5.882 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.781 0.960 -5.184 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -10.066 1.193 -4.678 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.195 -0.304 -5.049 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.763 0.163 -4.038 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -8.892 -1.335 -4.408 1.00 21.51 C ATOM 1596 CZ TYR A 99 -10.178 -1.101 -3.903 1.00 43.45 C ATOM 1597 OH TYR A 99 -10.867 -2.117 -3.273 1.00 3.02 O ATOM 0 H TYR A 99 -6.866 4.284 -6.386 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.743 2.930 -3.919 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.738 2.731 -6.391 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.377 1.656 -6.646 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.519 2.168 -4.782 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.204 -0.484 -5.440 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.754 0.343 -3.648 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.439 -2.310 -4.303 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.596 -2.980 -3.651 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.504 2.057 -3.354 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.238 1.431 -2.971 1.00 51.13 C ATOM 1609 C ALA A 100 -4.465 0.002 -2.498 1.00 41.03 C ATOM 1610 O ALA A 100 -5.452 -0.291 -1.823 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.571 2.235 -1.852 1.00 1.40 C ATOM 0 H ALA A 100 -6.071 2.376 -2.568 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.589 1.415 -3.846 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.630 1.761 -1.574 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.377 3.250 -2.199 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.230 2.268 -0.985 1.00 1.40 H new ATOM 1617 N THR A 101 -3.546 -0.888 -2.865 1.00 24.01 N ATOM 1618 CA THR A 101 -3.653 -2.292 -2.480 1.00 73.20 C ATOM 1619 C THR A 101 -2.281 -2.890 -2.187 1.00 43.22 C ATOM 1620 O THR A 101 -1.339 -2.723 -2.961 1.00 4.25 O ATOM 1621 CB THR A 101 -4.324 -3.086 -3.604 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.327 -4.467 -3.271 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.556 -2.878 -4.910 1.00 74.44 C ATOM 0 H THR A 101 -2.724 -0.663 -3.425 1.00 24.01 H new ATOM 0 HA THR A 101 -4.255 -2.350 -1.573 1.00 73.20 H new ATOM 0 HB THR A 101 -5.350 -2.739 -3.729 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.850 -4.605 -2.454 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.036 -3.444 -5.708 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.555 -1.819 -5.167 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.529 -3.223 -4.787 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.188 -3.604 -1.068 1.00 61.03 N ATOM 1632 CA ARG A 102 -0.943 -4.255 -0.669 1.00 5.41 C ATOM 1633 C ARG A 102 -1.193 -5.748 -0.553 1.00 54.23 C ATOM 1634 O ARG A 102 -2.143 -6.160 0.112 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.467 -3.705 0.678 1.00 60.00 C ATOM 1636 CG ARG A 102 0.893 -4.314 1.028 1.00 14.52 C ATOM 1637 CD ARG A 102 1.370 -3.761 2.371 1.00 72.51 C ATOM 1638 NE ARG A 102 2.734 -4.205 2.642 1.00 20.24 N ATOM 1639 CZ ARG A 102 3.775 -3.619 2.060 1.00 30.11 C ATOM 1640 NH1 ARG A 102 3.588 -2.629 1.231 1.00 54.53 N ATOM 1641 NH2 ARG A 102 4.986 -4.035 2.316 1.00 50.21 N ATOM 0 H ARG A 102 -2.962 -3.747 -0.420 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.172 -4.060 -1.415 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.390 -2.619 0.632 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.193 -3.940 1.456 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.815 -5.400 1.077 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.619 -4.081 0.249 1.00 14.52 H new ATOM 0 HD2 ARG A 102 1.330 -2.672 2.359 1.00 72.51 H new ATOM 0 HD3 ARG A 102 0.705 -4.096 3.167 1.00 72.51 H new ATOM 0 HE ARG A 102 2.891 -4.978 3.289 1.00 20.24 H new ATOM 0 HH11 ARG A 102 2.642 -2.304 1.029 1.00 54.53 H new ATOM 0 HH12 ARG A 102 4.388 -2.180 0.785 1.00 54.53 H new ATOM 0 HH21 ARG A 102 5.133 -4.810 2.963 1.00 50.21 H new ATOM 0 HH22 ARG A 102 5.785 -3.585 1.869 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.378 -6.572 -1.214 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.587 -8.019 -1.166 1.00 22.05 C ATOM 1657 C VAL A 103 0.600 -8.721 -0.523 1.00 4.11 C ATOM 1658 O VAL A 103 1.724 -8.652 -1.021 1.00 23.25 O ATOM 1659 CB VAL A 103 -0.794 -8.549 -2.592 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.440 -8.235 -3.448 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.020 -10.065 -2.561 1.00 62.12 C ATOM 0 H VAL A 103 0.417 -6.270 -1.778 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.471 -8.224 -0.562 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.669 -8.064 -3.024 1.00 35.21 H new ATOM 0 HG11 VAL A 103 0.288 -8.613 -4.459 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.593 -7.156 -3.484 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.317 -8.712 -3.011 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.166 -10.432 -3.577 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.151 -10.553 -2.120 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -1.904 -10.289 -1.964 1.00 62.12 H new ATOM 1671 N LYS A 104 0.340 -9.409 0.585 1.00 3.15 N ATOM 1672 CA LYS A 104 1.379 -10.139 1.297 1.00 32.13 C ATOM 1673 C LYS A 104 1.307 -11.610 0.917 1.00 22.11 C ATOM 1674 O LYS A 104 0.343 -12.046 0.288 1.00 10.01 O ATOM 1675 CB LYS A 104 1.185 -9.980 2.808 1.00 14.51 C ATOM 1676 CG LYS A 104 2.363 -10.614 3.555 1.00 2.35 C ATOM 1677 CD LYS A 104 2.394 -10.101 4.997 1.00 64.04 C ATOM 1678 CE LYS A 104 3.632 -10.650 5.708 1.00 0.02 C ATOM 1679 NZ LYS A 104 3.849 -9.901 6.977 1.00 4.41 N ATOM 0 H LYS A 104 -0.585 -9.475 1.009 1.00 3.15 H new ATOM 0 HA LYS A 104 2.356 -9.741 1.024 1.00 32.13 H new ATOM 0 HB2 LYS A 104 1.107 -8.923 3.064 1.00 14.51 H new ATOM 0 HB3 LYS A 104 0.252 -10.452 3.115 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.270 -11.700 3.547 1.00 2.35 H new ATOM 0 HG3 LYS A 104 3.299 -10.371 3.052 1.00 2.35 H new ATOM 0 HD2 LYS A 104 2.410 -9.011 5.006 1.00 64.04 H new ATOM 0 HD3 LYS A 104 1.492 -10.411 5.524 1.00 64.04 H new ATOM 0 HE2 LYS A 104 3.503 -11.712 5.918 1.00 0.02 H new ATOM 0 HE3 LYS A 104 4.506 -10.556 5.064 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 4.691 -10.274 7.461 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 3.990 -8.893 6.765 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 3.018 -10.013 7.592 1.00 4.41 H new ATOM 1693 N ASP A 105 2.324 -12.370 1.285 1.00 4.52 N ATOM 1694 CA ASP A 105 2.344 -13.785 0.956 1.00 33.04 C ATOM 1695 C ASP A 105 1.122 -14.491 1.538 1.00 40.01 C ATOM 1696 O ASP A 105 1.024 -14.692 2.749 1.00 25.42 O ATOM 1697 CB ASP A 105 3.618 -14.431 1.503 1.00 54.53 C ATOM 1698 CG ASP A 105 3.678 -15.898 1.091 1.00 72.43 C ATOM 1699 OD1 ASP A 105 2.799 -16.323 0.359 1.00 31.34 O ATOM 1700 OD2 ASP A 105 4.600 -16.575 1.514 1.00 4.54 O ATOM 0 H ASP A 105 3.136 -12.037 1.805 1.00 4.52 H new ATOM 0 HA ASP A 105 2.323 -13.885 -0.129 1.00 33.04 H new ATOM 0 HB2 ASP A 105 4.494 -13.903 1.126 1.00 54.53 H new ATOM 0 HB3 ASP A 105 3.639 -14.349 2.590 1.00 54.53 H new ATOM 1705 N GLY A 106 0.211 -14.893 0.654 1.00 64.04 N ATOM 1706 CA GLY A 106 -0.991 -15.615 1.069 1.00 22.21 C ATOM 1707 C GLY A 106 -2.162 -14.688 1.400 1.00 71.13 C ATOM 1708 O GLY A 106 -3.264 -15.165 1.670 1.00 62.32 O ATOM 0 H GLY A 106 0.281 -14.732 -0.351 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.290 -16.299 0.274 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -0.759 -16.224 1.943 1.00 22.21 H new ATOM 1712 N ARG A 107 -1.933 -13.374 1.403 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.010 -12.431 1.733 1.00 30.51 C ATOM 1714 C ARG A 107 -3.040 -11.236 0.780 1.00 45.05 C ATOM 1715 O ARG A 107 -2.000 -10.752 0.333 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.831 -11.928 3.167 1.00 72.11 C ATOM 1717 CG ARG A 107 -4.114 -11.231 3.625 1.00 50.40 C ATOM 1718 CD ARG A 107 -3.938 -10.716 5.054 1.00 41.32 C ATOM 1719 NE ARG A 107 -5.231 -10.348 5.619 1.00 31.44 N ATOM 1720 CZ ARG A 107 -5.912 -9.308 5.151 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -5.417 -8.584 4.184 1.00 52.42 N ATOM 1722 NH2 ARG A 107 -7.075 -9.006 5.661 1.00 73.55 N ATOM 0 H ARG A 107 -1.034 -12.943 1.186 1.00 52.25 H new ATOM 0 HA ARG A 107 -3.955 -12.964 1.632 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -2.600 -12.762 3.830 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -1.990 -11.237 3.219 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -4.348 -10.403 2.956 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -4.953 -11.925 3.579 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -3.469 -11.483 5.670 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -3.272 -9.853 5.058 1.00 41.32 H new ATOM 0 HE ARG A 107 -5.619 -10.898 6.386 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -4.507 -8.817 3.787 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -5.941 -7.786 3.825 1.00 52.42 H new ATOM 0 HH21 ARG A 107 -7.461 -9.569 6.419 1.00 73.55 H new ATOM 0 HH22 ARG A 107 -7.598 -8.207 5.301 1.00 73.55 H new ATOM 1736 N THR A 108 -4.255 -10.760 0.495 1.00 4.34 N ATOM 1737 CA THR A 108 -4.463 -9.607 -0.386 1.00 63.42 C ATOM 1738 C THR A 108 -5.237 -8.529 0.363 1.00 41.25 C ATOM 1739 O THR A 108 -6.025 -8.837 1.258 1.00 23.14 O ATOM 1740 CB THR A 108 -5.245 -10.033 -1.631 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.614 -11.161 -2.220 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.276 -8.880 -2.636 1.00 65.12 C ATOM 0 H THR A 108 -5.117 -11.160 0.865 1.00 4.34 H new ATOM 0 HA THR A 108 -3.495 -9.212 -0.694 1.00 63.42 H new ATOM 0 HB THR A 108 -6.265 -10.293 -1.349 1.00 61.41 H new ATOM 0 HG1 THR A 108 -5.114 -11.437 -3.016 1.00 42.34 H new ATOM 0 HG21 THR A 108 -5.833 -9.185 -3.522 1.00 65.12 H new ATOM 0 HG22 THR A 108 -5.760 -8.015 -2.183 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.257 -8.618 -2.920 1.00 65.12 H new ATOM 1750 N LEU A 109 -4.998 -7.264 0.021 1.00 43.23 N ATOM 1751 CA LEU A 109 -5.678 -6.169 0.708 1.00 64.43 C ATOM 1752 C LEU A 109 -5.918 -4.985 -0.202 1.00 14.32 C ATOM 1753 O LEU A 109 -5.111 -4.671 -1.075 1.00 21.44 O ATOM 1754 CB LEU A 109 -4.817 -5.716 1.887 1.00 3.33 C ATOM 1755 CG LEU A 109 -5.366 -4.440 2.544 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -6.692 -4.742 3.247 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -4.349 -3.945 3.577 1.00 13.03 C ATOM 0 H LEU A 109 -4.351 -6.976 -0.713 1.00 43.23 H new ATOM 0 HA LEU A 109 -6.648 -6.536 1.043 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -4.769 -6.514 2.628 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -3.798 -5.538 1.544 1.00 3.33 H new ATOM 0 HG LEU A 109 -5.533 -3.679 1.782 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -7.074 -3.832 3.710 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -7.415 -5.109 2.518 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -6.533 -5.500 4.014 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -4.725 -3.039 4.052 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.195 -4.714 4.333 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.403 -3.729 3.081 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.025 -4.303 0.059 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.374 -3.111 -0.687 1.00 62.11 C ATOM 1771 C HIS A 110 -7.780 -2.009 0.286 1.00 21.10 C ATOM 1772 O HIS A 110 -8.337 -2.293 1.347 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.510 -3.400 -1.668 1.00 64.31 C ATOM 1774 CG HIS A 110 -9.575 -4.209 -0.980 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -9.684 -5.581 -1.146 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -10.585 -3.854 -0.121 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -10.726 -5.997 -0.404 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -11.311 -4.985 0.243 1.00 62.11 N ATOM 0 H HIS A 110 -7.695 -4.559 0.784 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.508 -2.785 -1.263 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -8.931 -2.465 -2.038 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.128 -3.943 -2.533 1.00 64.31 H new ATOM 0 HD2 HIS A 110 -10.786 -2.849 0.221 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -11.051 -7.025 -0.339 1.00 5.01 H new ATOM 0 HE2 HIS A 110 -12.115 -5.031 0.868 1.00 62.11 H new ATOM 1786 N MET A 111 -7.501 -0.752 -0.059 1.00 60.55 N ATOM 1787 CA MET A 111 -7.851 0.359 0.822 1.00 21.20 C ATOM 1788 C MET A 111 -7.968 1.666 0.038 1.00 44.45 C ATOM 1789 O MET A 111 -7.350 1.826 -1.014 1.00 23.21 O ATOM 1790 CB MET A 111 -6.801 0.504 1.930 1.00 70.05 C ATOM 1791 CG MET A 111 -5.406 0.260 1.356 1.00 54.42 C ATOM 1792 SD MET A 111 -4.164 0.860 2.532 1.00 4.41 S ATOM 1793 CE MET A 111 -3.681 2.360 1.640 1.00 62.20 C ATOM 0 H MET A 111 -7.041 -0.481 -0.928 1.00 60.55 H new ATOM 0 HA MET A 111 -8.820 0.143 1.272 1.00 21.20 H new ATOM 0 HB2 MET A 111 -6.855 1.501 2.367 1.00 70.05 H new ATOM 0 HB3 MET A 111 -7.004 -0.207 2.731 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.259 -0.803 1.165 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.298 0.774 0.401 1.00 54.42 H new ATOM 0 HE1 MET A 111 -3.138 3.024 2.312 1.00 62.20 H new ATOM 0 HE2 MET A 111 -3.042 2.093 0.799 1.00 62.20 H new ATOM 0 HE3 MET A 111 -4.573 2.867 1.272 1.00 62.20 H new ATOM 1803 N MET A 112 -8.758 2.603 0.565 1.00 1.24 N ATOM 1804 CA MET A 112 -8.939 3.901 -0.087 1.00 41.25 C ATOM 1805 C MET A 112 -8.055 4.939 0.595 1.00 62.23 C ATOM 1806 O MET A 112 -7.951 4.959 1.819 1.00 24.34 O ATOM 1807 CB MET A 112 -10.395 4.377 0.039 1.00 1.31 C ATOM 1808 CG MET A 112 -11.380 3.245 -0.252 1.00 72.30 C ATOM 1809 SD MET A 112 -11.447 2.936 -2.038 1.00 21.22 S ATOM 1810 CE MET A 112 -12.421 4.392 -2.514 1.00 60.13 C ATOM 0 H MET A 112 -9.279 2.489 1.435 1.00 1.24 H new ATOM 0 HA MET A 112 -8.676 3.789 -1.139 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.568 4.762 1.044 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.571 5.201 -0.653 1.00 1.31 H new ATOM 0 HG2 MET A 112 -11.073 2.340 0.272 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.371 3.508 0.119 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.329 4.071 -3.024 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.687 4.959 -1.622 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.833 5.021 -3.182 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.418 5.799 -0.195 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.546 6.830 0.366 1.00 61.01 C ATOM 1822 C ARG A 113 -6.920 8.202 -0.180 1.00 42.32 C ATOM 1823 O ARG A 113 -7.063 8.384 -1.389 1.00 50.01 O ATOM 1824 CB ARG A 113 -5.090 6.503 0.016 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.159 7.667 0.422 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.804 8.530 -0.798 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.661 9.379 -0.489 1.00 43.44 N ATOM 1828 CZ ARG A 113 -2.048 10.081 -1.436 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.480 10.031 -2.666 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -1.018 10.823 -1.134 1.00 10.22 N ATOM 0 H ARG A 113 -7.487 5.805 -1.213 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.667 6.850 1.449 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.784 5.590 0.527 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -5.001 6.315 -1.054 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.646 8.282 1.179 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.248 7.271 0.871 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.574 7.892 -1.651 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.659 9.145 -1.081 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.325 9.436 0.472 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.288 9.453 -2.900 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -2.010 10.570 -3.394 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.684 10.864 -0.171 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.547 11.362 -1.861 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.085 9.166 0.727 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.454 10.529 0.350 1.00 33.01 C ATOM 1846 C LEU A 114 -6.366 11.501 0.778 1.00 22.40 C ATOM 1847 O LEU A 114 -5.944 11.513 1.948 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.774 10.900 1.027 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.089 12.394 0.844 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.108 12.742 -0.647 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.463 12.702 1.455 1.00 32.04 C ATOM 0 H LEU A 114 -6.968 9.026 1.731 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.570 10.585 -0.732 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.582 10.301 0.608 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.720 10.664 2.090 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.322 12.987 1.342 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.332 13.802 -0.770 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.134 12.523 -1.084 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -9.872 12.149 -1.149 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.689 13.761 1.327 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.226 12.105 0.955 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.451 12.460 2.518 1.00 32.04 H new ATOM 1863 N TYR A 115 -5.909 12.299 -0.185 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.852 13.272 0.055 1.00 40.14 C ATOM 1865 C TYR A 115 -5.323 14.693 -0.273 1.00 22.21 C ATOM 1866 O TYR A 115 -6.268 14.888 -1.040 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.626 12.891 -0.809 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.412 13.897 -1.925 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.421 14.111 -2.870 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.209 14.611 -2.013 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.231 15.038 -3.901 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.022 15.539 -3.046 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.033 15.752 -3.989 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.849 16.666 -5.006 1.00 75.14 O ATOM 0 H TYR A 115 -6.258 12.288 -1.143 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.581 13.257 1.111 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.736 12.844 -0.182 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.770 11.897 -1.233 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.348 13.560 -2.804 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.428 14.446 -1.286 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.011 15.202 -4.630 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.096 16.091 -3.114 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.430 17.441 -4.858 1.00 75.14 H new ATOM 1884 N SER A 116 -4.627 15.676 0.297 1.00 70.41 N ATOM 1885 CA SER A 116 -4.932 17.086 0.061 1.00 12.03 C ATOM 1886 C SER A 116 -3.728 17.756 -0.593 1.00 55.25 C ATOM 1887 O SER A 116 -2.590 17.366 -0.338 1.00 2.11 O ATOM 1888 CB SER A 116 -5.239 17.786 1.386 1.00 21.23 C ATOM 1889 OG SER A 116 -5.660 19.118 1.128 1.00 45.04 O ATOM 0 H SER A 116 -3.843 15.519 0.930 1.00 70.41 H new ATOM 0 HA SER A 116 -5.802 17.160 -0.592 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.017 17.245 1.925 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.354 17.789 2.022 1.00 21.23 H new ATOM 0 HG SER A 116 -5.364 19.702 1.857 1.00 45.04 H new ATOM 1895 N ARG A 117 -3.964 18.757 -1.434 1.00 43.54 N ATOM 1896 CA ARG A 117 -2.863 19.448 -2.098 1.00 25.41 C ATOM 1897 C ARG A 117 -2.234 20.457 -1.151 1.00 54.24 C ATOM 1898 O ARG A 117 -1.054 20.787 -1.262 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.387 20.176 -3.337 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.270 21.009 -3.988 1.00 15.50 C ATOM 1901 CD ARG A 117 -1.057 20.125 -4.298 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.193 20.783 -5.271 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.558 21.825 -4.926 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.522 22.278 -3.703 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.331 22.394 -5.810 1.00 71.13 N ATOM 0 H ARG A 117 -4.893 19.105 -1.670 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.112 18.715 -2.393 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -3.774 19.452 -4.054 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.218 20.825 -3.060 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.638 21.468 -4.906 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.976 21.820 -3.321 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -0.500 19.924 -3.383 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -1.389 19.162 -4.687 1.00 50.14 H new ATOM 0 HE ARG A 117 -0.164 20.439 -6.231 1.00 63.53 H new ATOM 0 HH11 ARG A 117 -0.082 21.833 -3.012 1.00 72.23 H new ATOM 0 HH12 ARG A 117 1.098 23.077 -3.438 1.00 72.23 H new ATOM 0 HH21 ARG A 117 1.359 22.040 -6.766 1.00 71.13 H new ATOM 0 HH22 ARG A 117 1.907 23.193 -5.545 1.00 71.13 H new ATOM 1919 N SER A 118 -3.045 20.944 -0.220 1.00 24.42 N ATOM 1920 CA SER A 118 -2.590 21.927 0.761 1.00 34.12 C ATOM 1921 C SER A 118 -2.891 21.437 2.180 1.00 61.40 C ATOM 1922 O SER A 118 -3.917 20.797 2.410 1.00 0.21 O ATOM 1923 CB SER A 118 -3.307 23.254 0.514 1.00 11.54 C ATOM 1924 OG SER A 118 -2.859 24.220 1.455 1.00 62.22 O ATOM 0 H SER A 118 -4.024 20.675 -0.122 1.00 24.42 H new ATOM 0 HA SER A 118 -1.514 22.064 0.658 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.111 23.601 -0.500 1.00 11.54 H new ATOM 0 HB3 SER A 118 -4.385 23.118 0.602 1.00 11.54 H new ATOM 0 HG SER A 118 -3.318 25.071 1.294 1.00 62.22 H new ATOM 1930 N PRO A 119 -2.029 21.721 3.130 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.227 21.299 4.545 1.00 30.02 C ATOM 1932 C PRO A 119 -3.692 21.365 4.976 1.00 14.44 C ATOM 1933 O PRO A 119 -4.100 20.691 5.921 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.377 22.303 5.324 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.252 22.661 4.403 1.00 1.31 C ATOM 1936 CD PRO A 119 -0.769 22.472 2.968 1.00 1.25 C ATOM 0 HA PRO A 119 -1.942 20.260 4.712 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -1.958 23.184 5.597 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -1.004 21.868 6.251 1.00 55.11 H new ATOM 0 HG2 PRO A 119 0.067 23.691 4.566 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.615 22.026 4.588 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -0.937 23.430 2.477 1.00 1.25 H new ATOM 0 HD3 PRO A 119 -0.054 21.922 2.357 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.477 22.179 4.276 1.00 24.15 N ATOM 1945 CA GLU A 120 -5.886 22.325 4.588 1.00 14.33 C ATOM 1946 C GLU A 120 -6.691 21.211 3.941 1.00 33.04 C ATOM 1947 O GLU A 120 -6.241 20.567 2.993 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.393 23.677 4.084 1.00 72.33 C ATOM 1949 CG GLU A 120 -5.421 24.779 4.510 1.00 42.31 C ATOM 1950 CD GLU A 120 -5.968 26.142 4.102 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -7.111 26.198 3.681 1.00 32.14 O ATOM 1952 OE2 GLU A 120 -5.235 27.111 4.217 1.00 41.25 O ATOM 0 H GLU A 120 -4.157 22.745 3.490 1.00 24.15 H new ATOM 0 HA GLU A 120 -6.009 22.269 5.670 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.487 23.660 2.998 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.386 23.878 4.487 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -5.271 24.746 5.589 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -4.447 24.615 4.048 1.00 42.31 H new ATOM 1959 N VAL A 121 -7.887 20.996 4.463 1.00 32.41 N ATOM 1960 CA VAL A 121 -8.783 19.960 3.947 1.00 31.23 C ATOM 1961 C VAL A 121 -10.061 20.587 3.398 1.00 11.20 C ATOM 1962 O VAL A 121 -10.834 21.193 4.139 1.00 54.50 O ATOM 1963 CB VAL A 121 -9.137 18.977 5.064 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -9.988 17.841 4.496 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -7.850 18.400 5.661 1.00 23.14 C ATOM 0 H VAL A 121 -8.267 21.525 5.248 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.274 19.430 3.142 1.00 31.23 H new ATOM 0 HB VAL A 121 -9.698 19.497 5.840 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -10.240 17.141 5.293 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -10.904 18.250 4.070 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.428 17.320 3.719 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -8.101 17.699 6.457 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.289 17.881 4.884 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.243 19.209 6.067 1.00 23.14 H new ATOM 1975 N SER A 122 -10.276 20.435 2.095 1.00 22.43 N ATOM 1976 CA SER A 122 -11.461 20.989 1.454 1.00 34.13 C ATOM 1977 C SER A 122 -12.677 20.095 1.725 1.00 33.32 C ATOM 1978 O SER A 122 -12.555 18.871 1.744 1.00 72.35 O ATOM 1979 CB SER A 122 -11.222 21.100 -0.052 1.00 1.24 C ATOM 1980 OG SER A 122 -10.490 22.290 -0.323 1.00 2.34 O ATOM 0 H SER A 122 -9.648 19.935 1.466 1.00 22.43 H new ATOM 0 HA SER A 122 -11.658 21.980 1.864 1.00 34.13 H new ATOM 0 HB2 SER A 122 -10.671 20.230 -0.410 1.00 1.24 H new ATOM 0 HB3 SER A 122 -12.174 21.115 -0.583 1.00 1.24 H new ATOM 0 HG SER A 122 -10.333 22.365 -1.287 1.00 2.34 H new ATOM 1986 N PRO A 123 -13.839 20.671 1.937 1.00 54.42 N ATOM 1987 CA PRO A 123 -15.078 19.884 2.215 1.00 11.10 C ATOM 1988 C PRO A 123 -15.531 19.087 0.992 1.00 22.23 C ATOM 1989 O PRO A 123 -16.151 18.032 1.122 1.00 75.20 O ATOM 1990 CB PRO A 123 -16.113 20.950 2.601 1.00 22.35 C ATOM 1991 CG PRO A 123 -15.632 22.211 1.960 1.00 22.41 C ATOM 1992 CD PRO A 123 -14.106 22.122 1.930 1.00 4.40 C ATOM 0 HA PRO A 123 -14.928 19.139 2.997 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -17.107 20.681 2.244 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -16.181 21.059 3.683 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -16.035 22.313 0.953 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -15.960 23.084 2.525 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -13.695 22.600 1.041 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -13.659 22.615 2.793 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.209 19.596 -0.193 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.584 18.918 -1.431 1.00 54.43 C ATOM 2002 C ALA A 124 -14.740 17.663 -1.621 1.00 24.52 C ATOM 2003 O ALA A 124 -15.221 16.648 -2.125 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.384 19.857 -2.622 1.00 61.51 C ATOM 0 H ALA A 124 -14.694 20.467 -0.323 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.634 18.634 -1.369 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.666 19.344 -3.541 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.006 20.743 -2.495 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.337 20.154 -2.679 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.478 17.741 -1.208 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.568 16.608 -1.329 1.00 32.45 C ATOM 2012 C ALA A 125 -13.046 15.447 -0.465 1.00 51.42 C ATOM 2013 O ALA A 125 -12.978 14.288 -0.866 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.166 17.024 -0.884 1.00 71.13 C ATOM 0 H ALA A 125 -13.064 18.574 -0.788 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.545 16.290 -2.371 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.488 16.175 -0.976 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.812 17.841 -1.513 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.197 17.353 0.155 1.00 71.13 H new ATOM 2020 N THR A 126 -13.543 15.779 0.718 1.00 42.04 N ATOM 2021 CA THR A 126 -14.051 14.768 1.634 1.00 3.13 C ATOM 2022 C THR A 126 -15.408 14.250 1.156 1.00 51.41 C ATOM 2023 O THR A 126 -15.761 13.097 1.396 1.00 54.21 O ATOM 2024 CB THR A 126 -14.165 15.334 3.056 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.083 16.223 3.295 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.126 14.191 4.084 1.00 2.32 C ATOM 0 H THR A 126 -13.605 16.736 1.065 1.00 42.04 H new ATOM 0 HA THR A 126 -13.347 13.936 1.652 1.00 3.13 H new ATOM 0 HB THR A 126 -15.110 15.868 3.155 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.154 16.588 4.202 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.208 14.603 5.090 1.00 2.32 H new ATOM 0 HG22 THR A 126 -14.957 13.510 3.903 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.185 13.649 3.989 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.187 15.114 0.505 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.512 14.729 0.027 1.00 34.13 C ATOM 2036 C ALA A 127 -17.445 13.860 -1.227 1.00 11.24 C ATOM 2037 O ALA A 127 -18.074 12.802 -1.282 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.312 15.982 -0.284 1.00 60.02 C ATOM 0 H ALA A 127 -15.925 16.078 0.298 1.00 65.22 H new ATOM 0 HA ALA A 127 -17.990 14.144 0.813 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.303 15.702 -0.642 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.409 16.585 0.619 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.799 16.560 -1.053 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.668 14.282 -2.228 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.536 13.489 -3.436 1.00 51.22 C ATOM 2046 C ILE A 128 -16.088 12.104 -3.009 1.00 20.04 C ATOM 2047 O ILE A 128 -16.589 11.075 -3.470 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.517 14.164 -4.376 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.823 13.794 -5.824 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.075 13.751 -4.036 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.874 12.271 -5.986 1.00 35.30 C ATOM 0 H ILE A 128 -16.134 15.151 -2.221 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.475 13.412 -3.984 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.604 15.242 -4.241 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.776 14.230 -6.124 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.060 14.211 -6.482 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.384 14.246 -4.719 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.845 14.044 -3.012 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -13.973 12.670 -4.136 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -16.093 12.023 -7.024 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.911 11.843 -5.706 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.654 11.863 -5.343 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.153 12.128 -2.081 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.616 10.918 -1.506 1.00 54.25 C ATOM 2065 C PHE A 129 -15.756 10.012 -1.060 1.00 74.13 C ATOM 2066 O PHE A 129 -15.704 8.792 -1.218 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.769 11.258 -0.296 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.149 9.986 0.204 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -13.869 9.149 1.061 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -11.867 9.632 -0.210 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.298 7.956 1.509 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.293 8.440 0.239 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.009 7.604 1.098 1.00 71.35 C ATOM 0 H PHE A 129 -14.747 12.986 -1.707 1.00 13.41 H new ATOM 0 HA PHE A 129 -14.008 10.412 -2.256 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -12.997 11.980 -0.561 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.380 11.716 0.481 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -14.865 9.424 1.376 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.317 10.279 -0.878 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -13.851 7.307 2.172 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.298 8.166 -0.078 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.566 6.683 1.446 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.776 10.634 -0.478 1.00 22.32 N ATOM 2084 CA ARG A 130 -17.936 9.910 0.026 1.00 74.31 C ATOM 2085 C ARG A 130 -18.759 9.295 -1.107 1.00 62.24 C ATOM 2086 O ARG A 130 -19.254 8.174 -0.983 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.815 10.872 0.838 1.00 71.01 C ATOM 2088 CG ARG A 130 -19.619 10.092 1.878 1.00 0.54 C ATOM 2089 CD ARG A 130 -20.584 11.040 2.593 1.00 74.22 C ATOM 2090 NE ARG A 130 -19.848 12.135 3.216 1.00 34.41 N ATOM 2091 CZ ARG A 130 -19.056 11.924 4.261 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -18.931 10.722 4.755 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -18.404 12.919 4.797 1.00 73.43 N ATOM 0 H ARG A 130 -16.822 11.644 -0.343 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.580 9.095 0.656 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.192 11.618 1.332 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.490 11.410 0.173 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.174 9.287 1.396 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -18.947 9.628 2.600 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -21.308 11.437 1.882 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -21.147 10.494 3.350 1.00 74.22 H new ATOM 0 HE ARG A 130 -19.943 13.079 2.842 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -19.442 9.944 4.338 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -18.322 10.561 5.558 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -18.503 13.859 4.413 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -17.796 12.757 5.600 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.926 10.036 -2.199 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.720 9.549 -3.325 1.00 0.30 C ATOM 2109 C LYS A 131 -19.277 8.151 -3.750 1.00 22.32 C ATOM 2110 O LYS A 131 -20.071 7.210 -3.731 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.583 10.507 -4.510 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.587 10.124 -5.599 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.363 11.000 -6.834 1.00 3.23 C ATOM 2114 CE LYS A 131 -21.333 10.586 -7.944 1.00 41.33 C ATOM 2115 NZ LYS A 131 -20.815 11.061 -9.258 1.00 70.02 N ATOM 0 H LYS A 131 -18.527 10.966 -2.329 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.761 9.500 -3.006 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -19.759 11.532 -4.184 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -18.568 10.468 -4.907 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -20.471 9.072 -5.861 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -21.605 10.251 -5.230 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -20.513 12.049 -6.579 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -19.334 10.900 -7.181 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -21.447 9.502 -7.956 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -22.320 11.009 -7.756 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -21.473 10.780 -10.013 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -20.728 12.097 -9.243 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -19.882 10.637 -9.437 1.00 70.02 H new ATOM 2129 N LEU A 132 -18.014 8.016 -4.137 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.503 6.719 -4.568 1.00 21.42 C ATOM 2131 C LEU A 132 -17.580 5.708 -3.429 1.00 35.51 C ATOM 2132 O LEU A 132 -17.821 4.519 -3.653 1.00 10.52 O ATOM 2133 CB LEU A 132 -16.056 6.844 -5.073 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.208 7.717 -4.118 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.363 6.824 -3.202 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.274 8.622 -4.934 1.00 60.02 C ATOM 0 H LEU A 132 -17.333 8.775 -4.162 1.00 1.15 H new ATOM 0 HA LEU A 132 -18.125 6.365 -5.390 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.610 5.853 -5.158 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -16.052 7.282 -6.071 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.878 8.328 -3.514 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.769 7.447 -2.533 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -15.019 6.182 -2.613 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.699 6.207 -3.807 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.679 9.235 -4.257 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.612 8.007 -5.543 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -14.867 9.268 -5.581 1.00 60.02 H new ATOM 2148 N ALA A 133 -17.391 6.183 -2.205 1.00 22.32 N ATOM 2149 CA ALA A 133 -17.456 5.301 -1.049 1.00 1.31 C ATOM 2150 C ALA A 133 -18.817 4.614 -0.990 1.00 12.12 C ATOM 2151 O ALA A 133 -18.901 3.408 -0.761 1.00 70.21 O ATOM 2152 CB ALA A 133 -17.210 6.095 0.237 1.00 51.15 C ATOM 0 H ALA A 133 -17.194 7.160 -1.989 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.681 4.540 -1.144 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -17.261 5.424 1.094 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -16.224 6.557 0.196 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.970 6.870 0.337 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.880 5.383 -1.220 1.00 74.41 N ATOM 2159 CA GLY A 134 -21.227 4.826 -1.207 1.00 60.30 C ATOM 2160 C GLY A 134 -21.347 3.735 -2.259 1.00 32.05 C ATOM 2161 O GLY A 134 -22.023 2.727 -2.055 1.00 34.25 O ATOM 0 H GLY A 134 -19.834 6.383 -1.415 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -21.452 4.419 -0.221 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.957 5.612 -1.401 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.675 3.949 -3.383 1.00 35.20 N ATOM 2166 CA GLU A 135 -20.693 2.982 -4.469 1.00 1.00 C ATOM 2167 C GLU A 135 -19.962 1.712 -4.051 1.00 44.10 C ATOM 2168 O GLU A 135 -20.114 0.663 -4.677 1.00 3.04 O ATOM 2169 CB GLU A 135 -20.025 3.581 -5.709 1.00 54.22 C ATOM 2170 CG GLU A 135 -20.330 2.711 -6.930 1.00 44.15 C ATOM 2171 CD GLU A 135 -19.661 3.299 -8.168 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -20.024 4.400 -8.548 1.00 52.33 O ATOM 2173 OE2 GLU A 135 -18.794 2.639 -8.718 1.00 21.12 O ATOM 0 H GLU A 135 -20.113 4.781 -3.565 1.00 35.20 H new ATOM 0 HA GLU A 135 -21.728 2.734 -4.704 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -20.386 4.596 -5.874 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -18.948 3.647 -5.557 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -19.973 1.695 -6.761 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -21.407 2.649 -7.083 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.169 1.809 -2.982 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.419 0.657 -2.483 1.00 71.42 C ATOM 2182 C ARG A 136 -19.086 0.071 -1.233 1.00 10.43 C ATOM 2183 O ARG A 136 -18.492 -0.744 -0.528 1.00 13.02 O ATOM 2184 CB ARG A 136 -16.983 1.085 -2.152 1.00 10.13 C ATOM 2185 CG ARG A 136 -16.052 -0.134 -2.173 1.00 20.53 C ATOM 2186 CD ARG A 136 -14.610 0.322 -1.941 1.00 21.34 C ATOM 2187 NE ARG A 136 -13.772 -0.822 -1.603 1.00 13.15 N ATOM 2188 CZ ARG A 136 -13.887 -1.432 -0.429 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -14.758 -1.007 0.446 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -13.130 -2.457 -0.149 1.00 30.20 N ATOM 0 H ARG A 136 -19.031 2.668 -2.449 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.405 -0.111 -3.257 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -16.641 1.826 -2.874 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -16.953 1.558 -1.171 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.349 -0.845 -1.402 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.132 -0.650 -3.130 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.227 0.812 -2.836 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.578 1.057 -1.137 1.00 21.34 H new ATOM 0 HE ARG A 136 -13.087 -1.159 -2.279 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -15.351 -0.206 0.228 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -14.846 -1.476 1.347 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -12.450 -2.790 -0.832 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -13.219 -2.925 0.753 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.326 0.482 -0.971 1.00 22.44 N ATOM 2205 CA ASN A 137 -21.060 -0.025 0.191 1.00 43.04 C ATOM 2206 C ASN A 137 -20.253 0.162 1.473 1.00 65.41 C ATOM 2207 O ASN A 137 -20.311 -0.663 2.384 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.336 -1.505 0.003 1.00 74.52 C ATOM 2209 CG ASN A 137 -22.124 -1.736 -1.281 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -21.602 -2.313 -2.235 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -23.358 -1.318 -1.363 1.00 54.24 N ATOM 0 H ASN A 137 -20.840 1.156 -1.539 1.00 22.44 H new ATOM 0 HA ASN A 137 -21.993 0.533 0.276 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -20.396 -2.055 -0.035 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -21.896 -1.889 0.856 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -23.892 -1.469 -2.219 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -23.788 -0.840 -0.571 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.505 1.246 1.525 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.675 1.554 2.688 1.00 30.14 C ATOM 2220 C TYR A 138 -19.513 2.095 3.851 1.00 24.33 C ATOM 2221 O TYR A 138 -20.598 2.638 3.648 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.641 2.624 2.304 1.00 0.24 C ATOM 2223 CG TYR A 138 -18.262 3.994 2.503 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -19.493 4.285 1.906 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -17.630 4.952 3.304 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -20.096 5.529 2.107 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -18.233 6.202 3.500 1.00 51.14 C ATOM 2228 CZ TYR A 138 -19.465 6.488 2.904 1.00 1.13 C ATOM 2229 OH TYR A 138 -20.062 7.714 3.106 1.00 0.33 O ATOM 0 H TYR A 138 -19.450 1.935 0.775 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.189 0.631 3.003 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.746 2.522 2.918 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.332 2.496 1.266 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.979 3.545 1.287 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -16.681 4.729 3.769 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -21.048 5.749 1.647 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -17.745 6.946 4.113 1.00 51.14 H new ATOM 0 HH TYR A 138 -20.079 7.915 4.065 1.00 0.33 H new ATOM 2239 N THR A 139 -18.960 2.000 5.059 1.00 50.00 N ATOM 2240 CA THR A 139 -19.614 2.546 6.251 1.00 34.14 C ATOM 2241 C THR A 139 -18.664 3.548 6.906 1.00 42.01 C ATOM 2242 O THR A 139 -17.450 3.469 6.721 1.00 15.42 O ATOM 2243 CB THR A 139 -19.979 1.431 7.252 1.00 60.30 C ATOM 2244 OG1 THR A 139 -18.997 1.372 8.278 1.00 62.35 O ATOM 2245 CG2 THR A 139 -20.052 0.075 6.540 1.00 3.22 C ATOM 0 H THR A 139 -18.062 1.551 5.240 1.00 50.00 H new ATOM 0 HA THR A 139 -20.542 3.037 5.956 1.00 34.14 H new ATOM 0 HB THR A 139 -20.953 1.656 7.686 1.00 60.30 H new ATOM 0 HG1 THR A 139 -19.231 0.664 8.914 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.311 -0.701 7.261 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.813 0.114 5.760 1.00 3.22 H new ATOM 0 HG23 THR A 139 -19.085 -0.153 6.092 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.206 4.522 7.620 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.362 5.551 8.226 1.00 14.13 C ATOM 2255 C ASP A 140 -17.117 4.953 8.882 1.00 14.22 C ATOM 2256 O ASP A 140 -16.002 5.398 8.611 1.00 11.03 O ATOM 2257 CB ASP A 140 -19.162 6.330 9.272 1.00 54.23 C ATOM 2258 CG ASP A 140 -19.636 5.389 10.373 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -19.794 4.213 10.093 1.00 15.14 O ATOM 2260 OD2 ASP A 140 -19.834 5.860 11.482 1.00 5.21 O ATOM 0 H ASP A 140 -20.206 4.626 7.795 1.00 40.41 H new ATOM 0 HA ASP A 140 -18.036 6.219 7.429 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -18.545 7.121 9.699 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -20.018 6.813 8.801 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.296 3.969 9.753 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.156 3.364 10.439 1.00 72.05 C ATOM 2267 C GLU A 141 -15.109 2.851 9.447 1.00 22.20 C ATOM 2268 O GLU A 141 -13.956 2.627 9.815 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.639 2.206 11.316 1.00 44.22 C ATOM 2270 CG GLU A 141 -15.546 1.828 12.318 1.00 43.34 C ATOM 2271 CD GLU A 141 -16.011 0.659 13.179 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.117 0.192 12.962 1.00 23.12 O ATOM 2273 OE2 GLU A 141 -15.254 0.246 14.043 1.00 33.43 O ATOM 0 H GLU A 141 -18.204 3.576 10.001 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.690 4.132 11.056 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.548 2.492 11.845 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -16.889 1.346 10.695 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -14.632 1.559 11.788 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -15.308 2.684 12.950 1.00 43.34 H new ATOM 2280 N MET A 142 -15.515 2.655 8.197 1.00 62.22 N ATOM 2281 CA MET A 142 -14.594 2.152 7.178 1.00 23.02 C ATOM 2282 C MET A 142 -13.676 3.249 6.660 1.00 24.22 C ATOM 2283 O MET A 142 -12.619 2.964 6.102 1.00 74.13 O ATOM 2284 CB MET A 142 -15.381 1.566 6.010 1.00 34.54 C ATOM 2285 CG MET A 142 -16.472 0.628 6.544 1.00 74.15 C ATOM 2286 SD MET A 142 -16.715 -0.735 5.379 1.00 71.42 S ATOM 2287 CE MET A 142 -15.100 -1.514 5.611 1.00 54.20 C ATOM 0 H MET A 142 -16.463 2.833 7.865 1.00 62.22 H new ATOM 0 HA MET A 142 -13.980 1.380 7.642 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.831 2.367 5.423 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.712 1.021 5.345 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.186 0.239 7.521 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.404 1.176 6.679 1.00 74.15 H new ATOM 0 HE1 MET A 142 -15.209 -2.598 5.568 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.421 -1.186 4.824 1.00 54.20 H new ATOM 0 HE3 MET A 142 -14.695 -1.229 6.582 1.00 54.20 H new ATOM 2297 N VAL A 143 -14.075 4.498 6.866 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.264 5.643 6.428 1.00 3.01 C ATOM 2299 C VAL A 143 -12.965 6.557 7.608 1.00 24.33 C ATOM 2300 O VAL A 143 -13.875 6.999 8.309 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.987 6.437 5.331 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -15.181 7.185 5.930 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -13.014 7.448 4.701 1.00 74.23 C ATOM 0 H VAL A 143 -14.948 4.750 7.330 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.328 5.259 6.022 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.343 5.746 4.566 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.689 7.746 5.146 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.874 6.469 6.372 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.831 7.873 6.700 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.528 8.011 3.922 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.655 8.134 5.468 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -12.168 6.916 4.266 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.680 6.822 7.836 1.00 50.10 N ATOM 2314 CA ALA A 144 -11.272 7.672 8.953 1.00 61.10 C ATOM 2315 C ALA A 144 -10.618 8.961 8.462 1.00 63.34 C ATOM 2316 O ALA A 144 -9.538 8.935 7.863 1.00 73.51 O ATOM 2317 CB ALA A 144 -10.287 6.913 9.842 1.00 1.35 C ATOM 0 H ALA A 144 -10.911 6.465 7.269 1.00 50.10 H new ATOM 0 HA ALA A 144 -12.165 7.935 9.520 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -9.984 7.548 10.674 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -10.765 6.013 10.228 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.409 6.636 9.258 1.00 1.35 H new ATOM 2323 N MET A 145 -11.275 10.090 8.737 1.00 5.25 N ATOM 2324 CA MET A 145 -10.788 11.374 8.369 1.00 54.31 C ATOM 2325 C MET A 145 -9.794 11.812 9.447 1.00 61.24 C ATOM 2326 O MET A 145 -9.966 11.463 10.616 1.00 14.51 O ATOM 2327 CB MET A 145 -12.021 12.282 8.280 1.00 10.52 C ATOM 2328 CG MET A 145 -11.640 13.746 8.440 1.00 52.54 C ATOM 2329 SD MET A 145 -12.299 14.712 7.054 1.00 52.11 S ATOM 2330 CE MET A 145 -11.227 14.027 5.764 1.00 14.23 C ATOM 0 H MET A 145 -12.169 10.113 9.228 1.00 5.25 H new ATOM 0 HA MET A 145 -10.264 11.400 7.414 1.00 54.31 H new ATOM 0 HB2 MET A 145 -12.515 12.135 7.320 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.737 12.004 9.053 1.00 10.52 H new ATOM 0 HG2 MET A 145 -12.031 14.132 9.382 1.00 52.54 H new ATOM 0 HG3 MET A 145 -10.555 13.846 8.481 1.00 52.54 H new ATOM 0 HE1 MET A 145 -11.244 14.680 4.892 1.00 14.23 H new ATOM 0 HE2 MET A 145 -10.207 13.951 6.141 1.00 14.23 H new ATOM 0 HE3 MET A 145 -11.584 13.036 5.482 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.751 12.564 9.069 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.767 13.006 10.015 1.00 72.43 C ATOM 2342 C LEU A 146 -7.610 14.543 9.965 1.00 21.12 C ATOM 2343 O LEU A 146 -7.626 15.135 8.886 1.00 51.00 O ATOM 2344 CB LEU A 146 -6.470 12.264 9.670 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.753 11.806 10.931 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.701 11.065 11.912 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.648 10.834 10.557 1.00 65.41 C ATOM 0 H LEU A 146 -8.584 12.869 8.110 1.00 73.10 H new ATOM 0 HA LEU A 146 -8.059 12.780 11.040 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -6.696 11.402 9.042 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -5.816 12.917 9.092 1.00 14.35 H new ATOM 0 HG LEU A 146 -5.365 12.701 11.417 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -6.142 10.758 12.796 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.511 11.731 12.208 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -7.116 10.185 11.422 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -4.133 10.504 11.459 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -5.079 9.971 10.049 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.938 11.328 9.894 1.00 65.41 H new ATOM 2359 N PRO A 147 -7.489 15.191 11.110 1.00 43.31 N ATOM 2360 CA PRO A 147 -7.361 16.687 11.208 1.00 22.33 C ATOM 2361 C PRO A 147 -5.979 17.223 10.823 1.00 64.42 C ATOM 2362 O PRO A 147 -5.028 16.468 10.651 1.00 52.10 O ATOM 2363 CB PRO A 147 -7.623 16.944 12.694 1.00 61.44 C ATOM 2364 CG PRO A 147 -7.079 15.731 13.359 1.00 55.51 C ATOM 2365 CD PRO A 147 -7.459 14.579 12.451 1.00 41.15 C ATOM 0 HA PRO A 147 -8.041 17.188 10.519 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -7.123 17.849 13.039 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -8.686 17.070 12.898 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -5.998 15.798 13.479 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -7.503 15.604 14.355 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -6.732 13.769 12.506 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -8.427 14.158 12.721 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.902 18.548 10.703 1.00 24.45 N ATOM 2374 CA ARG A 148 -4.665 19.244 10.350 1.00 40.13 C ATOM 2375 C ARG A 148 -3.539 18.947 11.338 1.00 1.43 C ATOM 2376 O ARG A 148 -2.400 19.372 11.142 1.00 11.51 O ATOM 2377 CB ARG A 148 -4.919 20.752 10.319 1.00 12.42 C ATOM 2378 CG ARG A 148 -5.924 21.078 9.213 1.00 5.50 C ATOM 2379 CD ARG A 148 -6.175 22.587 9.179 1.00 73.34 C ATOM 2380 NE ARG A 148 -4.995 23.284 8.679 1.00 41.10 N ATOM 2381 CZ ARG A 148 -4.806 24.576 8.925 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -5.679 25.242 9.630 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -3.745 25.179 8.464 1.00 2.03 N ATOM 0 H ARG A 148 -6.697 19.170 10.848 1.00 24.45 H new ATOM 0 HA ARG A 148 -4.354 18.887 9.368 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -5.302 21.087 11.283 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -3.985 21.285 10.145 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -5.542 20.740 8.249 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -6.859 20.547 9.389 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -7.032 22.806 8.542 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.421 22.945 10.179 1.00 73.34 H new ATOM 0 HE ARG A 148 -4.304 22.771 8.132 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -6.508 24.771 9.993 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -5.533 26.234 9.818 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -3.061 24.659 7.915 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -3.600 26.171 8.653 1.00 2.03 H new ATOM 2397 N GLN A 149 -3.870 18.254 12.416 1.00 52.04 N ATOM 2398 CA GLN A 149 -2.887 17.946 13.455 1.00 51.24 C ATOM 2399 C GLN A 149 -1.656 17.234 12.886 1.00 22.35 C ATOM 2400 O GLN A 149 -1.771 16.223 12.193 1.00 42.24 O ATOM 2401 CB GLN A 149 -3.537 17.083 14.551 1.00 64.14 C ATOM 2402 CG GLN A 149 -2.952 17.432 15.928 1.00 54.21 C ATOM 2403 CD GLN A 149 -1.434 17.570 15.849 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -0.757 16.692 15.318 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -0.858 18.630 16.349 1.00 65.01 N ATOM 0 H GLN A 149 -4.806 17.893 12.599 1.00 52.04 H new ATOM 0 HA GLN A 149 -2.550 18.890 13.883 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -4.615 17.243 14.556 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -3.372 16.027 14.336 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -3.389 18.363 16.289 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -3.215 16.657 16.648 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -1.422 19.357 16.789 1.00 65.01 H new ATOM 0 HE22 GLN A 149 0.156 18.731 16.299 1.00 65.01 H new ATOM 2414 N GLU A 150 -0.479 17.780 13.196 1.00 14.32 N ATOM 2415 CA GLU A 150 0.791 17.214 12.734 1.00 22.54 C ATOM 2416 C GLU A 150 1.783 17.122 13.893 1.00 35.50 C ATOM 2417 O GLU A 150 1.848 18.019 14.735 1.00 24.24 O ATOM 2418 CB GLU A 150 1.379 18.098 11.631 1.00 54.11 C ATOM 2419 CG GLU A 150 1.661 19.494 12.192 1.00 42.13 C ATOM 2420 CD GLU A 150 2.057 20.438 11.062 1.00 70.14 C ATOM 2421 OE1 GLU A 150 1.368 20.445 10.053 1.00 41.35 O ATOM 2422 OE2 GLU A 150 3.041 21.140 11.220 1.00 23.40 O ATOM 0 H GLU A 150 -0.378 18.618 13.768 1.00 14.32 H new ATOM 0 HA GLU A 150 0.607 16.213 12.343 1.00 22.54 H new ATOM 0 HB2 GLU A 150 2.299 17.656 11.247 1.00 54.11 H new ATOM 0 HB3 GLU A 150 0.684 18.164 10.794 1.00 54.11 H new ATOM 0 HG2 GLU A 150 0.777 19.875 12.703 1.00 42.13 H new ATOM 0 HG3 GLU A 150 2.460 19.443 12.932 1.00 42.13 H new ATOM 2429 N GLU A 151 2.568 16.043 13.922 1.00 13.22 N ATOM 2430 CA GLU A 151 3.572 15.855 14.972 1.00 5.20 C ATOM 2431 C GLU A 151 4.932 15.572 14.345 1.00 62.25 C ATOM 2432 O GLU A 151 5.972 15.921 14.903 1.00 35.11 O ATOM 2433 CB GLU A 151 3.176 14.692 15.882 1.00 73.21 C ATOM 2434 CG GLU A 151 4.076 14.680 17.119 1.00 32.44 C ATOM 2435 CD GLU A 151 3.909 13.364 17.870 1.00 42.03 C ATOM 2436 OE1 GLU A 151 3.590 12.377 17.229 1.00 21.23 O ATOM 2437 OE2 GLU A 151 4.105 13.362 19.074 1.00 62.45 O ATOM 0 H GLU A 151 2.529 15.290 13.235 1.00 13.22 H new ATOM 0 HA GLU A 151 3.630 16.767 15.566 1.00 5.20 H new ATOM 0 HB2 GLU A 151 2.132 14.789 16.180 1.00 73.21 H new ATOM 0 HB3 GLU A 151 3.267 13.748 15.344 1.00 73.21 H new ATOM 0 HG2 GLU A 151 5.117 14.810 16.823 1.00 32.44 H new ATOM 0 HG3 GLU A 151 3.823 15.516 17.772 1.00 32.44 H new ATOM 2444 N CYS A 152 4.909 14.950 13.170 1.00 3.20 N ATOM 2445 CA CYS A 152 6.136 14.629 12.445 1.00 62.35 C ATOM 2446 C CYS A 152 5.970 14.993 10.977 1.00 44.42 C ATOM 2447 O CYS A 152 4.851 15.086 10.479 1.00 52.44 O ATOM 2448 CB CYS A 152 6.456 13.140 12.576 1.00 21.15 C ATOM 2449 SG CYS A 152 8.189 12.855 12.137 1.00 44.34 S ATOM 0 H CYS A 152 4.053 14.657 12.698 1.00 3.20 H new ATOM 0 HA CYS A 152 6.959 15.202 12.871 1.00 62.35 H new ATOM 0 HB2 CYS A 152 6.268 12.805 13.596 1.00 21.15 H new ATOM 0 HB3 CYS A 152 5.804 12.558 11.924 1.00 21.15 H new ATOM 2454 N THR A 153 7.085 15.209 10.294 1.00 64.12 N ATOM 2455 CA THR A 153 7.047 15.579 8.880 1.00 72.34 C ATOM 2456 C THR A 153 8.344 15.175 8.183 1.00 62.12 C ATOM 2457 O THR A 153 9.356 14.924 8.837 1.00 12.01 O ATOM 2458 CB THR A 153 6.827 17.090 8.742 1.00 53.15 C ATOM 2459 OG1 THR A 153 7.808 17.779 9.502 1.00 44.01 O ATOM 2460 CG2 THR A 153 5.428 17.461 9.250 1.00 12.22 C ATOM 0 H THR A 153 8.022 15.136 10.689 1.00 64.12 H new ATOM 0 HA THR A 153 6.220 15.051 8.405 1.00 72.34 H new ATOM 0 HB THR A 153 6.912 17.373 7.693 1.00 53.15 H new ATOM 0 HG1 THR A 153 7.671 18.745 9.414 1.00 44.01 H new ATOM 0 HG21 THR A 153 5.278 18.536 9.149 1.00 12.22 H new ATOM 0 HG22 THR A 153 4.676 16.933 8.664 1.00 12.22 H new ATOM 0 HG23 THR A 153 5.335 17.178 10.299 1.00 12.22 H new ATOM 2468 N VAL A 154 8.311 15.120 6.853 1.00 51.52 N ATOM 2469 CA VAL A 154 9.475 14.756 6.084 1.00 60.43 C ATOM 2470 C VAL A 154 10.525 15.845 6.193 1.00 12.12 C ATOM 2471 O VAL A 154 10.225 16.986 6.543 1.00 35.22 O ATOM 2472 CB VAL A 154 9.103 14.584 4.605 1.00 1.14 C ATOM 2473 CG1 VAL A 154 7.876 13.667 4.449 1.00 44.43 C ATOM 2474 CG2 VAL A 154 8.815 15.962 3.990 1.00 71.22 C ATOM 0 H VAL A 154 7.483 15.326 6.294 1.00 51.52 H new ATOM 0 HA VAL A 154 9.866 13.817 6.476 1.00 60.43 H new ATOM 0 HB VAL A 154 9.939 14.118 4.084 1.00 1.14 H new ATOM 0 HG11 VAL A 154 7.633 13.561 3.392 1.00 44.43 H new ATOM 0 HG12 VAL A 154 8.099 12.687 4.870 1.00 44.43 H new ATOM 0 HG13 VAL A 154 7.027 14.103 4.975 1.00 44.43 H new ATOM 0 HG21 VAL A 154 8.550 15.843 2.939 1.00 71.22 H new ATOM 0 HG22 VAL A 154 7.988 16.432 4.522 1.00 71.22 H new ATOM 0 HG23 VAL A 154 9.702 16.590 4.072 1.00 71.22 H new ATOM 2484 N ASP A 155 11.749 15.487 5.869 1.00 24.30 N ATOM 2485 CA ASP A 155 12.842 16.444 5.907 1.00 21.03 C ATOM 2486 C ASP A 155 12.815 17.323 4.674 1.00 14.50 C ATOM 2487 O ASP A 155 12.137 17.035 3.688 1.00 4.23 O ATOM 2488 CB ASP A 155 14.197 15.746 5.995 1.00 61.34 C ATOM 2489 CG ASP A 155 15.328 16.763 5.872 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.284 17.757 6.579 1.00 62.01 O ATOM 2491 OD2 ASP A 155 16.222 16.533 5.075 1.00 31.41 O ATOM 0 H ASP A 155 12.015 14.546 5.577 1.00 24.30 H new ATOM 0 HA ASP A 155 12.708 17.055 6.800 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.279 15.215 6.943 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.282 15.001 5.204 1.00 61.34 H new ATOM 2496 N GLU A 156 13.567 18.392 4.759 1.00 2.41 N ATOM 2497 CA GLU A 156 13.669 19.353 3.676 1.00 53.24 C ATOM 2498 C GLU A 156 14.263 18.699 2.432 1.00 51.24 C ATOM 2499 O GLU A 156 13.908 19.049 1.306 1.00 33.03 O ATOM 2500 CB GLU A 156 14.554 20.517 4.119 1.00 2.32 C ATOM 2501 CG GLU A 156 13.795 21.388 5.122 1.00 20.22 C ATOM 2502 CD GLU A 156 14.619 22.623 5.467 1.00 12.41 C ATOM 2503 OE1 GLU A 156 15.772 22.672 5.070 1.00 74.02 O ATOM 2504 OE2 GLU A 156 14.085 23.502 6.124 1.00 14.01 O ATOM 0 H GLU A 156 14.128 18.625 5.578 1.00 2.41 H new ATOM 0 HA GLU A 156 12.672 19.718 3.431 1.00 53.24 H new ATOM 0 HB2 GLU A 156 15.470 20.138 4.572 1.00 2.32 H new ATOM 0 HB3 GLU A 156 14.848 21.113 3.255 1.00 2.32 H new ATOM 0 HG2 GLU A 156 12.834 21.687 4.703 1.00 20.22 H new ATOM 0 HG3 GLU A 156 13.584 20.817 6.026 1.00 20.22 H new ATOM 2511 N VAL A 157 15.168 17.748 2.643 1.00 61.44 N ATOM 2512 CA VAL A 157 15.803 17.054 1.529 1.00 35.44 C ATOM 2513 C VAL A 157 16.428 15.744 1.999 1.00 20.22 C ATOM 2514 O VAL A 157 16.221 14.740 1.337 1.00 63.22 O ATOM 2515 CB VAL A 157 16.883 17.942 0.909 1.00 74.44 C ATOM 2516 CG1 VAL A 157 17.977 18.216 1.943 1.00 13.45 C ATOM 2517 CG2 VAL A 157 17.493 17.233 -0.302 1.00 24.25 C ATOM 2518 OXT VAL A 157 17.103 15.762 3.015 1.00 63.22 O ATOM 0 H VAL A 157 15.476 17.443 3.566 1.00 61.44 H new ATOM 0 HA VAL A 157 15.041 16.832 0.782 1.00 35.44 H new ATOM 0 HB VAL A 157 16.438 18.886 0.593 1.00 74.44 H new ATOM 0 HG11 VAL A 157 18.746 18.849 1.500 1.00 13.45 H new ATOM 0 HG12 VAL A 157 17.544 18.722 2.806 1.00 13.45 H new ATOM 0 HG13 VAL A 157 18.422 17.273 2.261 1.00 13.45 H new ATOM 0 HG21 VAL A 157 18.263 17.865 -0.744 1.00 24.25 H new ATOM 0 HG22 VAL A 157 17.937 16.289 0.014 1.00 24.25 H new ATOM 0 HG23 VAL A 157 16.715 17.039 -1.040 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.828 3.463 3.484 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.780 1.726 2.506 1.00 20.00 O HETATM 2531 O5 EB4 A 200 3.101 1.703 2.962 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.595 -1.588 5.794 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.100 0.841 3.288 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.157 0.747 2.392 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.304 -0.036 3.531 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.070 0.372 4.596 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.232 4.283 4.390 1.00 20.00 C HETATM 2538 C8 EB4 A 200 5.104 0.421 2.424 1.00 20.00 C HETATM 2539 N2 EB4 A 200 3.904 -0.697 7.041 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.872 5.605 4.151 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.864 -0.546 1.286 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.334 2.396 5.735 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.364 2.541 8.071 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.230 -1.074 3.547 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -0.938 0.491 1.272 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.989 3.708 5.632 1.00 20.00 C HETATM 2547 C11 EB4 A 200 6.078 -0.467 2.868 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.513 0.309 4.562 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.048 0.844 5.360 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.298 6.360 5.168 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.087 5.794 6.419 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.046 -0.935 4.177 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.010 -1.329 2.425 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.204 -2.836 4.797 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.391 -1.914 4.767 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.632 -2.323 7.067 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -1.000 -1.393 8.212 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.647 -1.810 9.172 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.572 -0.107 8.098 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.935 0.783 9.165 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.170 1.811 9.333 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.200 3.868 7.998 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.431 4.468 6.653 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.116 4.573 8.956 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.425 1.031 9.830 1.00 20.00 C HETATM 2566 O12 EB4 A 200 1.507 0.631 10.990 1.00 20.00 O HETATM 2567 C28 EB4 A 200 0.675 -3.071 7.286 1.00 20.00 C HETATM 2568 O13 EB4 A 200 1.830 -2.217 7.310 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.446 -2.001 8.504 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.055 -2.465 9.574 1.00 20.00 O HETATM 2571 C23 EB4 A 200 3.693 -1.116 8.434 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.531 0.100 9.332 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.387 0.841 8.889 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.015 -0.987 6.350 1.00 20.00 C HETATM 2575 O8 EB4 A 200 5.962 -1.623 6.810 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.043 -0.515 5.043 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.881 1.277 8.941 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.404 -0.209 10.370 1.00 20.00 H new HETATM 0 H28A EB4 A 200 0.618 -3.617 8.228 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.629 2.025 7.232 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.170 -0.160 6.579 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.055 -0.809 5.690 1.00 20.00 H new HETATM 0 H9 EB4 A 200 1.039 6.048 3.169 1.00 20.00 H new HETATM 0 H8 EB4 A 200 5.128 0.788 1.398 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -0.824 1.105 0.379 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -1.078 0.226 10.091 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.425 0.723 9.292 1.00 20.00 H new HETATM 0 H28 EB4 A 200 0.797 -3.811 6.495 1.00 20.00 H new HETATM 0 H24 EB4 A 200 -0.067 2.581 10.068 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.559 -1.680 8.781 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.416 -3.080 7.029 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.350 6.392 7.219 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.808 -1.632 4.525 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.736 -2.142 2.438 1.00 20.00 H new HETATM 0 H12 EB4 A 200 0.014 7.396 4.984 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.866 -0.796 2.190 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.474 -0.745 0.405 1.00 20.00 H new HETATM 2598 GA GA A 201 1.747 1.672 4.183 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.533 9.423 -10.664 1.00 20.00 C HETATM 2600 C2 ACD A 300 -0.031 9.375 -10.956 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.664 8.440 -9.964 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.414 8.924 -8.534 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.180 8.038 -7.550 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.592 7.728 -6.172 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.768 8.301 -5.772 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.728 8.787 -4.321 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.870 7.798 -3.163 1.00 20.00 C HETATM 2608 C10 ACD A 300 -1.056 6.303 -3.434 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.835 5.682 -2.273 1.00 20.00 C HETATM 2610 C12 ACD A 300 -1.128 5.407 -0.944 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.353 5.757 -0.790 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.582 6.157 0.669 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.682 7.630 1.075 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.555 8.744 0.034 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.657 8.621 -1.022 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.449 9.684 -2.101 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.357 9.368 -3.290 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.034 10.298 -4.461 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.134 10.484 -10.941 1.00 20.00 O HETATM 2620 O2 ACD A 300 -2.046 8.395 -10.171 1.00 20.00 O HETATM 0 H203 ACD A 300 0.995 10.160 -4.759 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.190 11.333 -4.157 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.687 10.064 -5.302 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.401 9.484 -3.001 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.224 8.329 -3.593 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.406 9.701 -2.417 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.678 10.673 -1.705 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.636 8.745 -0.558 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.639 7.626 -1.468 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.423 8.692 -0.445 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.619 9.716 0.523 1.00 20.00 H new HETATM 0 H132 ACD A 300 0.978 4.905 -1.056 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.625 6.574 -1.459 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.593 6.154 -4.371 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.087 5.816 -3.541 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.698 8.651 -9.486 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.838 8.161 -2.136 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.597 9.849 -4.111 1.00 20.00 H new HETATM 0 H72 ACD A 300 -1.032 9.126 -6.433 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.540 7.540 -5.888 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.143 7.098 -5.474 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.149 7.626 -7.832 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.733 9.961 -8.429 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.653 8.895 -8.311 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.289 7.424 -10.084 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.735 8.411 -10.166 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.139 9.029 -11.975 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.394 10.376 -10.884 1.00 20.00 H new HETATM 0 H15 ACD A 300 0.846 7.889 2.121 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.675 5.382 1.430 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.676 4.964 -0.112 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.890 5.436 -2.392 1.00 20.00 H new