USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=50 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 99 TYR OH : rot 150:sc= -1.49 USER MOD Set 1.2: A 110 HIS : no HD1:sc= -1.62 K(o=-3.1,f=0.029) USER MOD Set 2.1: A 90 THR OG1 : rot -124:sc= 1.15 USER MOD Set 2.2: A 92 TYR OH : rot 171:sc= -2.32! USER MOD Set 3.1: A 76 TYR OH : rot -93:sc= 0.194 USER MOD Set 3.2: A 78 SER OG : rot 139:sc= -0.367 USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 48 LYS NZ :NH3+ 142:sc= -4.51! (180deg=-7.85!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -171:sc= -0.438 (180deg=-0.45) USER MOD Set 5.2: A 32 MET CE :methyl -122:sc= -3.52! (180deg=-5.68!) USER MOD Set 6.1: A 20 SER OG : rot 137:sc= -0.181! USER MOD Set 6.2: A 29 LYS NZ :NH3+ -128:sc= -1.56 (180deg=-1.69) USER MOD Set 7.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 36 MET CE :methyl -161:sc= 0 (180deg=-0.202) USER MOD Single : A 1 MET CE :methyl -141:sc= -0.172 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.0708 (180deg=-0.503) USER MOD Single : A 21 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.06) USER MOD Single : A 22 THR OG1 : rot 67:sc= -1.51 USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 0.0371 (180deg=-0.0398) USER MOD Single : A 34 MET CE :methyl 146:sc= -1.35 (180deg=-6.33!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.0163 USER MOD Single : A 51 TYR OH : rot 4:sc= 0.0837 USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -0.931 (180deg=-3.42) USER MOD Single : A 57 ASN : amide:sc= -0.654 K(o=-0.65,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -59:sc= -0.746! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= -0.189 (180deg=-1.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 65:sc= -1.68! USER MOD Single : A 70 SER OG : rot -131:sc= -0.303 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0313 (180deg=-0.357) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -6.32! (180deg=-7.64!) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -0.195 (180deg=-1.07) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 55:sc= 1.06 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 73:sc= 1.19 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= -4.6! (180deg=-5!) USER MOD Single : A 112 MET CE :methyl -159:sc= -0.291 (180deg=-0.427) USER MOD Single : A 115 TYR OH : rot -44:sc= -8.08! USER MOD Single : A 116 SER OG : rot -153:sc= 1.83 USER MOD Single : A 118 SER OG : rot 180:sc= -0.523 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 131 LYS NZ :NH3+ 164:sc=-0.00423 (180deg=-0.184) USER MOD Single : A 137 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 142 MET CE :methyl -161:sc= -0.299 (180deg=-0.743) USER MOD Single : A 145 MET CE :methyl -179:sc= -0.0914 (180deg=-0.0986) USER MOD Single : A 149 GLN : amide:sc= -0.207 K(o=-0.21,f=-2.1!) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot -27:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.807 18.863 -19.502 1.00 0.00 N ATOM 2 CA MET A 1 6.485 19.937 -20.282 1.00 52.33 C ATOM 3 C MET A 1 5.441 20.740 -21.050 1.00 44.52 C ATOM 4 O MET A 1 5.286 21.942 -20.833 1.00 55.32 O ATOM 5 CB MET A 1 7.479 19.303 -21.259 1.00 35.04 C ATOM 6 CG MET A 1 8.345 20.396 -21.888 1.00 73.33 C ATOM 7 SD MET A 1 9.315 19.691 -23.244 1.00 53.23 S ATOM 8 CE MET A 1 10.309 18.555 -22.246 1.00 23.35 C ATOM 0 H1 MET A 1 6.517 18.314 -18.977 1.00 0.00 H new ATOM 0 H2 MET A 1 5.136 19.291 -18.832 1.00 0.00 H new ATOM 0 H3 MET A 1 5.294 18.234 -20.152 1.00 0.00 H new ATOM 0 HA MET A 1 7.022 20.602 -19.605 1.00 52.33 H new ATOM 0 HB2 MET A 1 8.108 18.581 -20.737 1.00 35.04 H new ATOM 0 HB3 MET A 1 6.944 18.757 -22.036 1.00 35.04 H new ATOM 0 HG2 MET A 1 7.716 21.205 -22.259 1.00 73.33 H new ATOM 0 HG3 MET A 1 9.008 20.826 -21.138 1.00 73.33 H new ATOM 0 HE1 MET A 1 11.331 18.538 -22.624 1.00 23.35 H new ATOM 0 HE2 MET A 1 10.312 18.889 -21.208 1.00 23.35 H new ATOM 0 HE3 MET A 1 9.884 17.553 -22.303 1.00 23.35 H new ATOM 20 N THR A 2 4.727 20.068 -21.947 1.00 5.44 N ATOM 21 CA THR A 2 3.699 20.729 -22.742 1.00 74.25 C ATOM 22 C THR A 2 2.540 21.175 -21.856 1.00 2.22 C ATOM 23 O THR A 2 1.935 22.222 -22.088 1.00 33.14 O ATOM 24 CB THR A 2 3.181 19.776 -23.822 1.00 43.41 C ATOM 25 OG1 THR A 2 4.282 19.240 -24.544 1.00 40.00 O ATOM 26 CG2 THR A 2 2.261 20.535 -24.779 1.00 70.41 C ATOM 0 H THR A 2 4.840 19.073 -22.141 1.00 5.44 H new ATOM 0 HA THR A 2 4.140 21.607 -23.213 1.00 74.25 H new ATOM 0 HB THR A 2 2.622 18.965 -23.354 1.00 43.41 H new ATOM 0 HG1 THR A 2 3.953 18.628 -25.235 1.00 40.00 H new ATOM 0 HG21 THR A 2 1.894 19.854 -25.547 1.00 70.41 H new ATOM 0 HG22 THR A 2 1.417 20.945 -24.224 1.00 70.41 H new ATOM 0 HG23 THR A 2 2.815 21.347 -25.249 1.00 70.41 H new ATOM 34 N VAL A 3 2.236 20.374 -20.837 1.00 12.05 N ATOM 35 CA VAL A 3 1.146 20.691 -19.917 1.00 41.13 C ATOM 36 C VAL A 3 1.491 20.234 -18.501 1.00 34.22 C ATOM 37 O VAL A 3 0.964 19.233 -18.015 1.00 63.01 O ATOM 38 CB VAL A 3 -0.143 20.004 -20.381 1.00 21.23 C ATOM 39 CG1 VAL A 3 -0.729 20.764 -21.574 1.00 52.02 C ATOM 40 CG2 VAL A 3 0.169 18.565 -20.801 1.00 4.54 C ATOM 0 H VAL A 3 2.727 19.504 -20.628 1.00 12.05 H new ATOM 0 HA VAL A 3 1.000 21.771 -19.911 1.00 41.13 H new ATOM 0 HB VAL A 3 -0.864 19.999 -19.564 1.00 21.23 H new ATOM 0 HG11 VAL A 3 -1.646 20.274 -21.903 1.00 52.02 H new ATOM 0 HG12 VAL A 3 -0.951 21.789 -21.279 1.00 52.02 H new ATOM 0 HG13 VAL A 3 -0.008 20.770 -22.391 1.00 52.02 H new ATOM 0 HG21 VAL A 3 -0.747 18.076 -21.131 1.00 4.54 H new ATOM 0 HG22 VAL A 3 0.891 18.573 -21.618 1.00 4.54 H new ATOM 0 HG23 VAL A 3 0.586 18.021 -19.953 1.00 4.54 H new ATOM 50 N PRO A 4 2.362 20.948 -17.838 1.00 53.21 N ATOM 51 CA PRO A 4 2.790 20.614 -16.448 1.00 70.24 C ATOM 52 C PRO A 4 1.600 20.362 -15.522 1.00 24.43 C ATOM 53 O PRO A 4 0.572 21.032 -15.621 1.00 60.31 O ATOM 54 CB PRO A 4 3.584 21.850 -16.006 1.00 30.42 C ATOM 55 CG PRO A 4 4.087 22.460 -17.275 1.00 21.15 C ATOM 56 CD PRO A 4 3.035 22.156 -18.344 1.00 10.10 C ATOM 0 HA PRO A 4 3.373 19.694 -16.408 1.00 70.24 H new ATOM 0 HB2 PRO A 4 2.954 22.548 -15.455 1.00 30.42 H new ATOM 0 HB3 PRO A 4 4.407 21.575 -15.347 1.00 30.42 H new ATOM 0 HG2 PRO A 4 4.226 23.535 -17.161 1.00 21.15 H new ATOM 0 HG3 PRO A 4 5.054 22.041 -17.551 1.00 21.15 H new ATOM 0 HD2 PRO A 4 2.336 22.983 -18.464 1.00 10.10 H new ATOM 0 HD3 PRO A 4 3.493 21.981 -19.318 1.00 10.10 H new ATOM 64 N ASP A 5 1.750 19.393 -14.625 1.00 12.13 N ATOM 65 CA ASP A 5 0.684 19.062 -13.687 1.00 64.24 C ATOM 66 C ASP A 5 1.240 18.283 -12.498 1.00 74.15 C ATOM 67 O ASP A 5 1.022 18.653 -11.345 1.00 75.14 O ATOM 68 CB ASP A 5 -0.390 18.228 -14.388 1.00 44.42 C ATOM 69 CG ASP A 5 -1.624 18.114 -13.499 1.00 54.35 C ATOM 70 OD1 ASP A 5 -1.723 18.881 -12.555 1.00 23.10 O ATOM 71 OD2 ASP A 5 -2.453 17.262 -13.775 1.00 34.12 O ATOM 0 H ASP A 5 2.593 18.827 -14.528 1.00 12.13 H new ATOM 0 HA ASP A 5 0.243 19.991 -13.325 1.00 64.24 H new ATOM 0 HB2 ASP A 5 -0.658 18.689 -15.339 1.00 44.42 H new ATOM 0 HB3 ASP A 5 -0.001 17.235 -14.614 1.00 44.42 H new ATOM 76 N ARG A 6 1.962 17.206 -12.790 1.00 72.11 N ATOM 77 CA ARG A 6 2.548 16.383 -11.737 1.00 74.44 C ATOM 78 C ARG A 6 3.634 17.158 -10.996 1.00 63.31 C ATOM 79 O ARG A 6 3.751 17.067 -9.775 1.00 63.00 O ATOM 80 CB ARG A 6 3.144 15.108 -12.344 1.00 35.30 C ATOM 81 CG ARG A 6 3.897 14.302 -11.262 1.00 33.35 C ATOM 82 CD ARG A 6 5.410 14.520 -11.394 1.00 43.55 C ATOM 83 NE ARG A 6 5.855 14.188 -12.743 1.00 43.41 N ATOM 84 CZ ARG A 6 6.956 14.727 -13.259 1.00 65.30 C ATOM 85 NH1 ARG A 6 7.665 15.565 -12.554 1.00 62.40 N ATOM 86 NH2 ARG A 6 7.328 14.416 -14.472 1.00 53.32 N ATOM 0 H ARG A 6 2.155 16.884 -13.739 1.00 72.11 H new ATOM 0 HA ARG A 6 1.765 16.114 -11.028 1.00 74.44 H new ATOM 0 HB2 ARG A 6 2.351 14.498 -12.776 1.00 35.30 H new ATOM 0 HB3 ARG A 6 3.825 15.367 -13.155 1.00 35.30 H new ATOM 0 HG2 ARG A 6 3.563 14.610 -10.271 1.00 33.35 H new ATOM 0 HG3 ARG A 6 3.665 13.242 -11.361 1.00 33.35 H new ATOM 0 HD2 ARG A 6 5.656 15.558 -11.168 1.00 43.55 H new ATOM 0 HD3 ARG A 6 5.938 13.902 -10.668 1.00 43.55 H new ATOM 0 HE ARG A 6 5.311 13.530 -13.301 1.00 43.41 H new ATOM 0 HH11 ARG A 6 7.375 15.807 -11.607 1.00 62.40 H new ATOM 0 HH12 ARG A 6 8.509 15.978 -12.950 1.00 62.40 H new ATOM 0 HH21 ARG A 6 6.774 13.760 -15.023 1.00 53.32 H new ATOM 0 HH22 ARG A 6 8.172 14.829 -14.868 1.00 53.32 H new ATOM 100 N SER A 7 4.425 17.916 -11.746 1.00 2.24 N ATOM 101 CA SER A 7 5.503 18.704 -11.158 1.00 61.12 C ATOM 102 C SER A 7 4.958 19.681 -10.121 1.00 10.10 C ATOM 103 O SER A 7 5.632 20.009 -9.146 1.00 42.32 O ATOM 104 CB SER A 7 6.235 19.482 -12.254 1.00 32.41 C ATOM 105 OG SER A 7 6.719 18.571 -13.232 1.00 35.12 O ATOM 0 H SER A 7 4.341 18.002 -12.759 1.00 2.24 H new ATOM 0 HA SER A 7 6.196 18.022 -10.665 1.00 61.12 H new ATOM 0 HB2 SER A 7 5.562 20.205 -12.715 1.00 32.41 H new ATOM 0 HB3 SER A 7 7.063 20.046 -11.825 1.00 32.41 H new ATOM 0 HG SER A 7 7.187 19.066 -13.937 1.00 35.12 H new ATOM 111 N GLU A 8 3.737 20.151 -10.348 1.00 20.30 N ATOM 112 CA GLU A 8 3.109 21.104 -9.438 1.00 45.32 C ATOM 113 C GLU A 8 2.806 20.468 -8.081 1.00 21.01 C ATOM 114 O GLU A 8 3.070 21.067 -7.039 1.00 44.11 O ATOM 115 CB GLU A 8 1.810 21.633 -10.053 1.00 42.43 C ATOM 116 CG GLU A 8 2.135 22.565 -11.222 1.00 71.54 C ATOM 117 CD GLU A 8 2.756 21.772 -12.367 1.00 53.24 C ATOM 118 OE1 GLU A 8 2.488 20.585 -12.452 1.00 14.30 O ATOM 119 OE2 GLU A 8 3.490 22.363 -13.142 1.00 4.21 O ATOM 0 H GLU A 8 3.164 19.890 -11.150 1.00 20.30 H new ATOM 0 HA GLU A 8 3.808 21.925 -9.282 1.00 45.32 H new ATOM 0 HB2 GLU A 8 1.195 20.802 -10.398 1.00 42.43 H new ATOM 0 HB3 GLU A 8 1.231 22.167 -9.300 1.00 42.43 H new ATOM 0 HG2 GLU A 8 1.227 23.062 -11.564 1.00 71.54 H new ATOM 0 HG3 GLU A 8 2.822 23.345 -10.895 1.00 71.54 H new ATOM 126 N ILE A 9 2.237 19.264 -8.095 1.00 62.31 N ATOM 127 CA ILE A 9 1.891 18.579 -6.847 1.00 1.13 C ATOM 128 C ILE A 9 3.060 17.755 -6.329 1.00 11.35 C ATOM 129 O ILE A 9 3.193 17.535 -5.125 1.00 31.44 O ATOM 130 CB ILE A 9 0.668 17.671 -7.075 1.00 73.05 C ATOM 131 CG1 ILE A 9 -0.034 17.357 -5.719 1.00 1.41 C ATOM 132 CG2 ILE A 9 1.092 16.386 -7.806 1.00 51.20 C ATOM 133 CD1 ILE A 9 0.337 15.977 -5.187 1.00 53.30 C ATOM 0 H ILE A 9 2.007 18.747 -8.944 1.00 62.31 H new ATOM 0 HA ILE A 9 1.652 19.333 -6.098 1.00 1.13 H new ATOM 0 HB ILE A 9 -0.052 18.191 -7.706 1.00 73.05 H new ATOM 0 HG12 ILE A 9 0.241 18.114 -4.985 1.00 1.41 H new ATOM 0 HG13 ILE A 9 -1.115 17.417 -5.848 1.00 1.41 H new ATOM 0 HG21 ILE A 9 0.220 15.751 -7.962 1.00 51.20 H new ATOM 0 HG22 ILE A 9 1.530 16.644 -8.770 1.00 51.20 H new ATOM 0 HG23 ILE A 9 1.827 15.851 -7.205 1.00 51.20 H new ATOM 0 HD11 ILE A 9 -0.175 15.802 -4.241 1.00 53.30 H new ATOM 0 HD12 ILE A 9 0.037 15.216 -5.908 1.00 53.30 H new ATOM 0 HD13 ILE A 9 1.415 15.925 -5.031 1.00 53.30 H new ATOM 145 N ALA A 10 3.909 17.306 -7.242 1.00 43.10 N ATOM 146 CA ALA A 10 5.055 16.517 -6.833 1.00 44.45 C ATOM 147 C ALA A 10 5.927 17.373 -5.937 1.00 11.22 C ATOM 148 O ALA A 10 6.043 18.580 -6.148 1.00 11.32 O ATOM 149 CB ALA A 10 5.830 15.981 -8.039 1.00 15.11 C ATOM 0 H ALA A 10 3.828 17.470 -8.245 1.00 43.10 H new ATOM 0 HA ALA A 10 4.718 15.640 -6.280 1.00 44.45 H new ATOM 0 HB1 ALA A 10 6.681 15.395 -7.693 1.00 15.11 H new ATOM 0 HB2 ALA A 10 5.176 15.350 -8.641 1.00 15.11 H new ATOM 0 HB3 ALA A 10 6.186 16.816 -8.643 1.00 15.11 H new ATOM 155 N GLY A 11 6.505 16.764 -4.907 1.00 54.35 N ATOM 156 CA GLY A 11 7.323 17.498 -3.951 1.00 52.34 C ATOM 157 C GLY A 11 6.671 17.411 -2.573 1.00 55.14 C ATOM 158 O GLY A 11 7.353 17.409 -1.549 1.00 11.24 O ATOM 0 H GLY A 11 6.422 15.766 -4.714 1.00 54.35 H new ATOM 0 HA2 GLY A 11 8.330 17.082 -3.919 1.00 52.34 H new ATOM 0 HA3 GLY A 11 7.418 18.540 -4.258 1.00 52.34 H new ATOM 162 N LYS A 12 5.336 17.329 -2.566 1.00 23.01 N ATOM 163 CA LYS A 12 4.588 17.228 -1.315 1.00 25.33 C ATOM 164 C LYS A 12 3.153 16.739 -1.557 1.00 33.35 C ATOM 165 O LYS A 12 2.337 17.462 -2.128 1.00 43.24 O ATOM 166 CB LYS A 12 4.548 18.594 -0.624 1.00 2.33 C ATOM 167 CG LYS A 12 4.052 18.438 0.825 1.00 62.41 C ATOM 168 CD LYS A 12 5.233 18.127 1.760 1.00 64.30 C ATOM 169 CE LYS A 12 5.882 19.432 2.233 1.00 72.11 C ATOM 170 NZ LYS A 12 4.962 20.133 3.172 1.00 44.32 N ATOM 0 H LYS A 12 4.758 17.331 -3.407 1.00 23.01 H new ATOM 0 HA LYS A 12 5.095 16.502 -0.679 1.00 25.33 H new ATOM 0 HB2 LYS A 12 5.541 19.043 -0.631 1.00 2.33 H new ATOM 0 HB3 LYS A 12 3.890 19.268 -1.172 1.00 2.33 H new ATOM 0 HG2 LYS A 12 3.555 19.353 1.147 1.00 62.41 H new ATOM 0 HG3 LYS A 12 3.314 17.638 0.880 1.00 62.41 H new ATOM 0 HD2 LYS A 12 4.887 17.551 2.618 1.00 64.30 H new ATOM 0 HD3 LYS A 12 5.968 17.513 1.240 1.00 64.30 H new ATOM 0 HE2 LYS A 12 6.831 19.221 2.727 1.00 72.11 H new ATOM 0 HE3 LYS A 12 6.103 20.071 1.378 1.00 72.11 H new ATOM 0 HZ1 LYS A 12 5.515 20.737 3.813 1.00 44.32 H new ATOM 0 HZ2 LYS A 12 4.296 20.721 2.631 1.00 44.32 H new ATOM 0 HZ3 LYS A 12 4.432 19.431 3.728 1.00 44.32 H new ATOM 184 N TRP A 13 2.838 15.524 -1.090 1.00 53.04 N ATOM 185 CA TRP A 13 1.486 14.969 -1.228 1.00 41.52 C ATOM 186 C TRP A 13 0.913 14.771 0.168 1.00 32.11 C ATOM 187 O TRP A 13 1.576 14.196 1.030 1.00 53.41 O ATOM 188 CB TRP A 13 1.570 13.601 -1.928 1.00 4.21 C ATOM 189 CG TRP A 13 1.939 13.773 -3.338 1.00 1.13 C ATOM 190 CD1 TRP A 13 3.061 14.366 -3.781 1.00 12.11 C ATOM 191 CD2 TRP A 13 1.204 13.335 -4.509 1.00 14.55 C ATOM 192 NE1 TRP A 13 3.059 14.313 -5.150 1.00 73.23 N ATOM 193 CE2 TRP A 13 1.952 13.676 -5.639 1.00 75.23 C ATOM 194 CE3 TRP A 13 -0.021 12.672 -4.702 1.00 54.34 C ATOM 195 CZ2 TRP A 13 1.533 13.383 -6.913 1.00 33.50 C ATOM 196 CZ3 TRP A 13 -0.464 12.374 -6.002 1.00 52.24 C ATOM 197 CH2 TRP A 13 0.320 12.725 -7.111 1.00 21.02 C ATOM 0 H TRP A 13 3.499 14.909 -0.615 1.00 53.04 H new ATOM 0 HA TRP A 13 0.857 15.641 -1.812 1.00 41.52 H new ATOM 0 HB2 TRP A 13 2.306 12.973 -1.426 1.00 4.21 H new ATOM 0 HB3 TRP A 13 0.611 13.088 -1.856 1.00 4.21 H new ATOM 0 HD1 TRP A 13 3.830 14.807 -3.165 1.00 12.11 H new ATOM 0 HE1 TRP A 13 3.797 14.703 -5.736 1.00 73.23 H new ATOM 0 HE3 TRP A 13 -0.622 12.391 -3.850 1.00 54.34 H new ATOM 0 HZ2 TRP A 13 2.142 13.662 -7.760 1.00 33.50 H new ATOM 0 HZ3 TRP A 13 -1.410 11.874 -6.148 1.00 52.24 H new ATOM 0 HH2 TRP A 13 -0.013 12.487 -8.110 1.00 21.02 H new ATOM 208 N TYR A 14 -0.287 15.287 0.416 1.00 74.13 N ATOM 209 CA TYR A 14 -0.889 15.198 1.749 1.00 14.30 C ATOM 210 C TYR A 14 -2.034 14.182 1.800 1.00 42.23 C ATOM 211 O TYR A 14 -2.890 14.162 0.924 1.00 21.41 O ATOM 212 CB TYR A 14 -1.430 16.596 2.122 1.00 53.01 C ATOM 213 CG TYR A 14 -0.698 17.163 3.318 1.00 12.22 C ATOM 214 CD1 TYR A 14 -0.833 16.547 4.561 1.00 43.30 C ATOM 215 CD2 TYR A 14 0.090 18.313 3.186 1.00 74.31 C ATOM 216 CE1 TYR A 14 -0.182 17.073 5.680 1.00 54.42 C ATOM 217 CE2 TYR A 14 0.746 18.840 4.304 1.00 32.41 C ATOM 218 CZ TYR A 14 0.610 18.221 5.552 1.00 13.21 C ATOM 219 OH TYR A 14 1.254 18.742 6.655 1.00 23.02 O ATOM 0 H TYR A 14 -0.860 15.767 -0.278 1.00 74.13 H new ATOM 0 HA TYR A 14 -0.127 14.863 2.453 1.00 14.30 H new ATOM 0 HB2 TYR A 14 -1.321 17.270 1.272 1.00 53.01 H new ATOM 0 HB3 TYR A 14 -2.496 16.530 2.342 1.00 53.01 H new ATOM 0 HD1 TYR A 14 -1.442 15.661 4.660 1.00 43.30 H new ATOM 0 HD2 TYR A 14 0.191 18.792 2.223 1.00 74.31 H new ATOM 0 HE1 TYR A 14 -0.289 16.595 6.642 1.00 54.42 H new ATOM 0 HE2 TYR A 14 1.357 19.725 4.204 1.00 32.41 H new ATOM 0 HH TYR A 14 1.762 19.538 6.392 1.00 23.02 H new ATOM 229 N VAL A 15 -2.048 13.367 2.861 1.00 41.03 N ATOM 230 CA VAL A 15 -3.105 12.368 3.076 1.00 72.21 C ATOM 231 C VAL A 15 -3.937 12.808 4.281 1.00 0.23 C ATOM 232 O VAL A 15 -3.395 12.967 5.375 1.00 51.34 O ATOM 233 CB VAL A 15 -2.473 10.989 3.354 1.00 3.21 C ATOM 234 CG1 VAL A 15 -3.469 10.080 4.087 1.00 33.22 C ATOM 235 CG2 VAL A 15 -2.074 10.327 2.035 1.00 50.42 C ATOM 0 H VAL A 15 -1.334 13.379 3.590 1.00 41.03 H new ATOM 0 HA VAL A 15 -3.735 12.289 2.190 1.00 72.21 H new ATOM 0 HB VAL A 15 -1.592 11.134 3.979 1.00 3.21 H new ATOM 0 HG11 VAL A 15 -3.007 9.111 4.275 1.00 33.22 H new ATOM 0 HG12 VAL A 15 -3.750 10.538 5.035 1.00 33.22 H new ATOM 0 HG13 VAL A 15 -4.359 9.944 3.472 1.00 33.22 H new ATOM 0 HG21 VAL A 15 -1.628 9.353 2.237 1.00 50.42 H new ATOM 0 HG22 VAL A 15 -2.958 10.199 1.410 1.00 50.42 H new ATOM 0 HG23 VAL A 15 -1.351 10.956 1.516 1.00 50.42 H new ATOM 245 N VAL A 16 -5.245 13.039 4.091 1.00 62.33 N ATOM 246 CA VAL A 16 -6.089 13.497 5.205 1.00 72.41 C ATOM 247 C VAL A 16 -7.347 12.669 5.393 1.00 31.20 C ATOM 248 O VAL A 16 -8.222 13.046 6.172 1.00 13.12 O ATOM 249 CB VAL A 16 -6.477 14.962 5.009 1.00 21.42 C ATOM 250 CG1 VAL A 16 -5.282 15.737 4.439 1.00 3.33 C ATOM 251 CG2 VAL A 16 -7.669 15.071 4.043 1.00 54.51 C ATOM 0 H VAL A 16 -5.731 12.920 3.202 1.00 62.33 H new ATOM 0 HA VAL A 16 -5.487 13.377 6.106 1.00 72.41 H new ATOM 0 HB VAL A 16 -6.762 15.385 5.972 1.00 21.42 H new ATOM 0 HG11 VAL A 16 -5.559 16.782 4.299 1.00 3.33 H new ATOM 0 HG12 VAL A 16 -4.443 15.674 5.132 1.00 3.33 H new ATOM 0 HG13 VAL A 16 -4.993 15.307 3.480 1.00 3.33 H new ATOM 0 HG21 VAL A 16 -7.936 16.120 3.911 1.00 54.51 H new ATOM 0 HG22 VAL A 16 -7.396 14.642 3.079 1.00 54.51 H new ATOM 0 HG23 VAL A 16 -8.521 14.528 4.453 1.00 54.51 H new ATOM 261 N ALA A 17 -7.426 11.526 4.751 1.00 34.34 N ATOM 262 CA ALA A 17 -8.585 10.673 4.965 1.00 60.14 C ATOM 263 C ALA A 17 -8.430 9.387 4.183 1.00 60.40 C ATOM 264 O ALA A 17 -7.986 9.405 3.039 1.00 31.13 O ATOM 265 CB ALA A 17 -9.853 11.426 4.525 1.00 12.25 C ATOM 0 H ALA A 17 -6.730 11.169 4.096 1.00 34.34 H new ATOM 0 HA ALA A 17 -8.669 10.422 6.022 1.00 60.14 H new ATOM 0 HB1 ALA A 17 -10.726 10.792 4.683 1.00 12.25 H new ATOM 0 HB2 ALA A 17 -9.956 12.339 5.112 1.00 12.25 H new ATOM 0 HB3 ALA A 17 -9.776 11.681 3.468 1.00 12.25 H new ATOM 271 N LEU A 18 -8.738 8.261 4.821 1.00 51.42 N ATOM 272 CA LEU A 18 -8.561 6.963 4.183 1.00 23.54 C ATOM 273 C LEU A 18 -9.790 6.076 4.331 1.00 60.12 C ATOM 274 O LEU A 18 -10.726 6.394 5.062 1.00 33.43 O ATOM 275 CB LEU A 18 -7.333 6.258 4.775 1.00 74.34 C ATOM 276 CG LEU A 18 -7.239 6.513 6.292 1.00 63.33 C ATOM 277 CD1 LEU A 18 -6.863 7.980 6.588 1.00 72.33 C ATOM 278 CD2 LEU A 18 -8.577 6.163 6.963 1.00 63.20 C ATOM 0 H LEU A 18 -9.108 8.222 5.771 1.00 51.42 H new ATOM 0 HA LEU A 18 -8.412 7.138 3.117 1.00 23.54 H new ATOM 0 HB2 LEU A 18 -7.395 5.187 4.584 1.00 74.34 H new ATOM 0 HB3 LEU A 18 -6.429 6.617 4.284 1.00 74.34 H new ATOM 0 HG LEU A 18 -6.453 5.876 6.699 1.00 63.33 H new ATOM 0 HD11 LEU A 18 -6.804 8.130 7.666 1.00 72.33 H new ATOM 0 HD12 LEU A 18 -5.897 8.206 6.137 1.00 72.33 H new ATOM 0 HD13 LEU A 18 -7.622 8.642 6.171 1.00 72.33 H new ATOM 0 HD21 LEU A 18 -8.505 6.345 8.035 1.00 63.20 H new ATOM 0 HD22 LEU A 18 -9.368 6.783 6.542 1.00 63.20 H new ATOM 0 HD23 LEU A 18 -8.808 5.112 6.788 1.00 63.20 H new ATOM 290 N ALA A 19 -9.756 4.949 3.630 1.00 2.54 N ATOM 291 CA ALA A 19 -10.845 3.977 3.676 1.00 10.24 C ATOM 292 C ALA A 19 -10.275 2.562 3.621 1.00 23.52 C ATOM 293 O ALA A 19 -9.312 2.296 2.903 1.00 62.10 O ATOM 294 CB ALA A 19 -11.814 4.212 2.510 1.00 30.45 C ATOM 0 H ALA A 19 -8.983 4.684 3.020 1.00 2.54 H new ATOM 0 HA ALA A 19 -11.395 4.099 4.609 1.00 10.24 H new ATOM 0 HB1 ALA A 19 -12.622 3.481 2.555 1.00 30.45 H new ATOM 0 HB2 ALA A 19 -12.230 5.217 2.579 1.00 30.45 H new ATOM 0 HB3 ALA A 19 -11.280 4.105 1.566 1.00 30.45 H new ATOM 300 N SER A 20 -10.870 1.663 4.394 1.00 42.23 N ATOM 301 CA SER A 20 -10.408 0.282 4.439 1.00 35.53 C ATOM 302 C SER A 20 -11.418 -0.597 5.154 1.00 31.33 C ATOM 303 O SER A 20 -12.448 -0.122 5.632 1.00 5.13 O ATOM 304 CB SER A 20 -9.063 0.205 5.159 1.00 13.14 C ATOM 305 OG SER A 20 -9.174 0.835 6.428 1.00 70.33 O ATOM 0 H SER A 20 -11.669 1.864 4.995 1.00 42.23 H new ATOM 0 HA SER A 20 -10.293 -0.075 3.416 1.00 35.53 H new ATOM 0 HB2 SER A 20 -8.762 -0.835 5.282 1.00 13.14 H new ATOM 0 HB3 SER A 20 -8.290 0.692 4.564 1.00 13.14 H new ATOM 0 HG SER A 20 -8.722 0.289 7.105 1.00 70.33 H new ATOM 311 N ASN A 21 -11.101 -1.880 5.237 1.00 11.21 N ATOM 312 CA ASN A 21 -11.967 -2.839 5.913 1.00 44.23 C ATOM 313 C ASN A 21 -11.142 -3.707 6.858 1.00 1.34 C ATOM 314 O ASN A 21 -11.686 -4.351 7.755 1.00 4.14 O ATOM 315 CB ASN A 21 -12.695 -3.717 4.890 1.00 51.14 C ATOM 316 CG ASN A 21 -11.818 -3.916 3.662 1.00 72.55 C ATOM 317 OD1 ASN A 21 -11.159 -4.947 3.524 1.00 62.11 O ATOM 318 ND2 ASN A 21 -11.773 -2.980 2.756 1.00 13.24 N ATOM 0 H ASN A 21 -10.250 -2.283 4.845 1.00 11.21 H new ATOM 0 HA ASN A 21 -12.712 -2.292 6.491 1.00 44.23 H new ATOM 0 HB2 ASN A 21 -12.939 -4.682 5.334 1.00 51.14 H new ATOM 0 HB3 ASN A 21 -13.638 -3.251 4.603 1.00 51.14 H new ATOM 0 HD21 ASN A 21 -11.190 -3.100 1.928 1.00 13.24 H new ATOM 0 HD22 ASN A 21 -12.321 -2.128 2.875 1.00 13.24 H new ATOM 325 N THR A 22 -9.822 -3.694 6.676 1.00 43.11 N ATOM 326 CA THR A 22 -8.950 -4.462 7.551 1.00 32.01 C ATOM 327 C THR A 22 -8.861 -3.738 8.885 1.00 3.33 C ATOM 328 O THR A 22 -8.284 -2.654 8.978 1.00 0.11 O ATOM 329 CB THR A 22 -7.561 -4.619 6.927 1.00 31.34 C ATOM 330 OG1 THR A 22 -6.733 -5.360 7.812 1.00 44.33 O ATOM 331 CG2 THR A 22 -6.939 -3.244 6.678 1.00 72.41 C ATOM 0 H THR A 22 -9.344 -3.169 5.944 1.00 43.11 H new ATOM 0 HA THR A 22 -9.357 -5.463 7.697 1.00 32.01 H new ATOM 0 HB THR A 22 -7.651 -5.145 5.976 1.00 31.34 H new ATOM 0 HG1 THR A 22 -7.066 -6.279 7.878 1.00 44.33 H new ATOM 0 HG21 THR A 22 -5.951 -3.367 6.234 1.00 72.41 H new ATOM 0 HG22 THR A 22 -7.574 -2.675 5.999 1.00 72.41 H new ATOM 0 HG23 THR A 22 -6.848 -2.709 7.623 1.00 72.41 H new ATOM 339 N GLU A 23 -9.479 -4.318 9.902 1.00 2.14 N ATOM 340 CA GLU A 23 -9.514 -3.699 11.219 1.00 3.35 C ATOM 341 C GLU A 23 -8.138 -3.267 11.700 1.00 3.02 C ATOM 342 O GLU A 23 -8.000 -2.218 12.322 1.00 70.02 O ATOM 343 CB GLU A 23 -10.133 -4.662 12.233 1.00 0.31 C ATOM 344 CG GLU A 23 -11.603 -4.900 11.882 1.00 73.34 C ATOM 345 CD GLU A 23 -12.411 -3.632 12.132 1.00 53.24 C ATOM 346 OE1 GLU A 23 -11.912 -2.761 12.824 1.00 14.20 O ATOM 347 OE2 GLU A 23 -13.519 -3.550 11.626 1.00 45.50 O ATOM 0 H GLU A 23 -9.962 -5.214 9.842 1.00 2.14 H new ATOM 0 HA GLU A 23 -10.125 -2.801 11.132 1.00 3.35 H new ATOM 0 HB2 GLU A 23 -9.590 -5.607 12.231 1.00 0.31 H new ATOM 0 HB3 GLU A 23 -10.051 -4.250 13.239 1.00 0.31 H new ATOM 0 HG2 GLU A 23 -11.692 -5.198 10.837 1.00 73.34 H new ATOM 0 HG3 GLU A 23 -12.001 -5.719 12.482 1.00 73.34 H new ATOM 354 N PHE A 24 -7.129 -4.071 11.438 1.00 41.22 N ATOM 355 CA PHE A 24 -5.791 -3.734 11.899 1.00 22.23 C ATOM 356 C PHE A 24 -5.434 -2.292 11.531 1.00 35.01 C ATOM 357 O PHE A 24 -5.048 -1.503 12.393 1.00 51.53 O ATOM 358 CB PHE A 24 -4.763 -4.699 11.281 1.00 70.30 C ATOM 359 CG PHE A 24 -5.440 -6.005 10.928 1.00 23.03 C ATOM 360 CD1 PHE A 24 -6.335 -6.595 11.828 1.00 4.25 C ATOM 361 CD2 PHE A 24 -5.175 -6.620 9.699 1.00 14.33 C ATOM 362 CE1 PHE A 24 -6.965 -7.801 11.499 1.00 11.11 C ATOM 363 CE2 PHE A 24 -5.804 -7.826 9.370 1.00 14.24 C ATOM 364 CZ PHE A 24 -6.700 -8.417 10.270 1.00 5.12 C ATOM 0 H PHE A 24 -7.202 -4.946 10.919 1.00 41.22 H new ATOM 0 HA PHE A 24 -5.770 -3.829 12.985 1.00 22.23 H new ATOM 0 HB2 PHE A 24 -4.322 -4.254 10.389 1.00 70.30 H new ATOM 0 HB3 PHE A 24 -3.949 -4.878 11.984 1.00 70.30 H new ATOM 0 HD1 PHE A 24 -6.539 -6.120 12.776 1.00 4.25 H new ATOM 0 HD2 PHE A 24 -4.485 -6.164 9.005 1.00 14.33 H new ATOM 0 HE1 PHE A 24 -7.656 -8.256 12.193 1.00 11.11 H new ATOM 0 HE2 PHE A 24 -5.599 -8.301 8.422 1.00 14.24 H new ATOM 0 HZ PHE A 24 -7.186 -9.347 10.016 1.00 5.12 H new ATOM 374 N PHE A 25 -5.542 -1.962 10.251 1.00 0.32 N ATOM 375 CA PHE A 25 -5.202 -0.616 9.784 1.00 54.32 C ATOM 376 C PHE A 25 -6.288 0.408 10.113 1.00 63.11 C ATOM 377 O PHE A 25 -5.992 1.511 10.565 1.00 71.03 O ATOM 378 CB PHE A 25 -4.944 -0.629 8.275 1.00 52.15 C ATOM 379 CG PHE A 25 -4.060 -1.803 7.878 1.00 13.41 C ATOM 380 CD1 PHE A 25 -3.256 -2.481 8.819 1.00 62.14 C ATOM 381 CD2 PHE A 25 -4.052 -2.215 6.541 1.00 41.51 C ATOM 382 CE1 PHE A 25 -2.460 -3.557 8.411 1.00 52.35 C ATOM 383 CE2 PHE A 25 -3.255 -3.292 6.141 1.00 62.22 C ATOM 384 CZ PHE A 25 -2.461 -3.963 7.074 1.00 40.32 C ATOM 0 H PHE A 25 -5.859 -2.598 9.520 1.00 0.32 H new ATOM 0 HA PHE A 25 -4.297 -0.315 10.312 1.00 54.32 H new ATOM 0 HB2 PHE A 25 -5.893 -0.688 7.742 1.00 52.15 H new ATOM 0 HB3 PHE A 25 -4.468 0.305 7.977 1.00 52.15 H new ATOM 0 HD1 PHE A 25 -3.255 -2.170 9.853 1.00 62.14 H new ATOM 0 HD2 PHE A 25 -4.664 -1.699 5.815 1.00 41.51 H new ATOM 0 HE1 PHE A 25 -1.844 -4.075 9.131 1.00 52.35 H new ATOM 0 HE2 PHE A 25 -3.253 -3.606 5.108 1.00 62.22 H new ATOM 0 HZ PHE A 25 -1.848 -4.796 6.762 1.00 40.32 H new ATOM 394 N LEU A 26 -7.540 0.034 9.898 1.00 21.02 N ATOM 395 CA LEU A 26 -8.655 0.933 10.185 1.00 63.53 C ATOM 396 C LEU A 26 -8.611 1.334 11.655 1.00 11.03 C ATOM 397 O LEU A 26 -8.874 2.481 12.029 1.00 61.20 O ATOM 398 CB LEU A 26 -9.962 0.205 9.862 1.00 52.22 C ATOM 399 CG LEU A 26 -11.169 1.114 10.093 1.00 62.41 C ATOM 400 CD1 LEU A 26 -11.110 2.321 9.146 1.00 73.21 C ATOM 401 CD2 LEU A 26 -12.439 0.300 9.820 1.00 44.03 C ATOM 0 H LEU A 26 -7.812 -0.877 9.529 1.00 21.02 H new ATOM 0 HA LEU A 26 -8.588 1.836 9.578 1.00 63.53 H new ATOM 0 HB2 LEU A 26 -9.948 -0.130 8.825 1.00 52.22 H new ATOM 0 HB3 LEU A 26 -10.049 -0.686 10.484 1.00 52.22 H new ATOM 0 HG LEU A 26 -11.169 1.482 11.119 1.00 62.41 H new ATOM 0 HD11 LEU A 26 -11.975 2.962 9.319 1.00 73.21 H new ATOM 0 HD12 LEU A 26 -10.197 2.886 9.333 1.00 73.21 H new ATOM 0 HD13 LEU A 26 -11.117 1.974 8.113 1.00 73.21 H new ATOM 0 HD21 LEU A 26 -13.315 0.929 9.979 1.00 44.03 H new ATOM 0 HD22 LEU A 26 -12.429 -0.055 8.790 1.00 44.03 H new ATOM 0 HD23 LEU A 26 -12.477 -0.553 10.497 1.00 44.03 H new ATOM 413 N ARG A 27 -8.226 0.361 12.461 1.00 34.31 N ATOM 414 CA ARG A 27 -8.094 0.572 13.893 1.00 64.24 C ATOM 415 C ARG A 27 -7.039 1.646 14.150 1.00 42.00 C ATOM 416 O ARG A 27 -7.225 2.521 14.994 1.00 31.12 O ATOM 417 CB ARG A 27 -7.703 -0.736 14.601 1.00 2.41 C ATOM 418 CG ARG A 27 -7.619 -0.525 16.125 1.00 70.22 C ATOM 419 CD ARG A 27 -9.000 -0.727 16.758 1.00 70.01 C ATOM 420 NE ARG A 27 -9.394 -2.129 16.669 1.00 72.51 N ATOM 421 CZ ARG A 27 -10.667 -2.493 16.780 1.00 34.33 C ATOM 422 NH1 ARG A 27 -11.591 -1.591 16.969 1.00 31.40 N ATOM 423 NH2 ARG A 27 -10.994 -3.754 16.697 1.00 3.13 N ATOM 0 H ARG A 27 -7.999 -0.583 12.149 1.00 34.31 H new ATOM 0 HA ARG A 27 -9.053 0.900 14.293 1.00 64.24 H new ATOM 0 HB2 ARG A 27 -8.436 -1.511 14.376 1.00 2.41 H new ATOM 0 HB3 ARG A 27 -6.742 -1.087 14.224 1.00 2.41 H new ATOM 0 HG2 ARG A 27 -6.905 -1.225 16.559 1.00 70.22 H new ATOM 0 HG3 ARG A 27 -7.253 0.479 16.342 1.00 70.22 H new ATOM 0 HD2 ARG A 27 -8.979 -0.413 17.802 1.00 70.01 H new ATOM 0 HD3 ARG A 27 -9.735 -0.102 16.251 1.00 70.01 H new ATOM 0 HE ARG A 27 -8.680 -2.842 16.519 1.00 72.51 H new ATOM 0 HH11 ARG A 27 -11.336 -0.605 17.032 1.00 31.40 H new ATOM 0 HH12 ARG A 27 -12.568 -1.872 17.054 1.00 31.40 H new ATOM 0 HH21 ARG A 27 -10.272 -4.459 16.547 1.00 3.13 H new ATOM 0 HH22 ARG A 27 -11.971 -4.034 16.782 1.00 3.13 H new ATOM 437 N GLU A 28 -5.911 1.546 13.447 1.00 5.50 N ATOM 438 CA GLU A 28 -4.816 2.492 13.649 1.00 33.24 C ATOM 439 C GLU A 28 -4.948 3.786 12.832 1.00 71.42 C ATOM 440 O GLU A 28 -4.702 4.871 13.360 1.00 32.40 O ATOM 441 CB GLU A 28 -3.492 1.816 13.290 1.00 23.30 C ATOM 442 CG GLU A 28 -3.236 0.652 14.250 1.00 55.42 C ATOM 443 CD GLU A 28 -1.885 0.015 13.948 1.00 64.12 C ATOM 444 OE1 GLU A 28 -1.288 0.383 12.949 1.00 61.43 O ATOM 445 OE2 GLU A 28 -1.465 -0.831 14.720 1.00 2.21 O ATOM 0 H GLU A 28 -5.733 0.830 12.743 1.00 5.50 H new ATOM 0 HA GLU A 28 -4.851 2.779 14.700 1.00 33.24 H new ATOM 0 HB2 GLU A 28 -3.523 1.454 12.262 1.00 23.30 H new ATOM 0 HB3 GLU A 28 -2.676 2.536 13.349 1.00 23.30 H new ATOM 0 HG2 GLU A 28 -3.257 1.008 15.280 1.00 55.42 H new ATOM 0 HG3 GLU A 28 -4.028 -0.091 14.153 1.00 55.42 H new ATOM 452 N LYS A 29 -5.327 3.725 11.559 1.00 54.40 N ATOM 453 CA LYS A 29 -5.424 4.955 10.792 1.00 72.22 C ATOM 454 C LYS A 29 -6.260 5.967 11.557 1.00 72.23 C ATOM 455 O LYS A 29 -6.044 7.175 11.462 1.00 31.44 O ATOM 456 CB LYS A 29 -6.017 4.667 9.401 1.00 44.31 C ATOM 457 CG LYS A 29 -4.903 4.156 8.443 1.00 41.12 C ATOM 458 CD LYS A 29 -5.359 2.895 7.692 1.00 62.35 C ATOM 459 CE LYS A 29 -6.466 3.236 6.697 1.00 13.32 C ATOM 460 NZ LYS A 29 -7.053 1.976 6.165 1.00 1.14 N ATOM 0 H LYS A 29 -5.563 2.870 11.055 1.00 54.40 H new ATOM 0 HA LYS A 29 -4.429 5.376 10.646 1.00 72.22 H new ATOM 0 HB2 LYS A 29 -6.809 3.922 9.481 1.00 44.31 H new ATOM 0 HB3 LYS A 29 -6.470 5.572 8.995 1.00 44.31 H new ATOM 0 HG2 LYS A 29 -4.647 4.937 7.727 1.00 41.12 H new ATOM 0 HG3 LYS A 29 -4.000 3.938 9.013 1.00 41.12 H new ATOM 0 HD2 LYS A 29 -4.513 2.452 7.166 1.00 62.35 H new ATOM 0 HD3 LYS A 29 -5.718 2.151 8.403 1.00 62.35 H new ATOM 0 HE2 LYS A 29 -7.237 3.833 7.184 1.00 13.32 H new ATOM 0 HE3 LYS A 29 -6.065 3.837 5.881 1.00 13.32 H new ATOM 0 HZ1 LYS A 29 -7.053 2.005 5.125 1.00 1.14 H new ATOM 0 HZ2 LYS A 29 -6.487 1.166 6.488 1.00 1.14 H new ATOM 0 HZ3 LYS A 29 -8.029 1.876 6.509 1.00 1.14 H new ATOM 474 N ASP A 30 -7.221 5.460 12.307 1.00 33.00 N ATOM 475 CA ASP A 30 -8.097 6.318 13.085 1.00 41.25 C ATOM 476 C ASP A 30 -7.333 7.101 14.157 1.00 2.31 C ATOM 477 O ASP A 30 -7.813 8.138 14.612 1.00 35.44 O ATOM 478 CB ASP A 30 -9.183 5.473 13.754 1.00 52.12 C ATOM 479 CG ASP A 30 -10.017 4.762 12.695 1.00 24.34 C ATOM 480 OD1 ASP A 30 -9.724 4.933 11.523 1.00 72.24 O ATOM 481 OD2 ASP A 30 -10.939 4.055 13.070 1.00 61.04 O ATOM 0 H ASP A 30 -7.415 4.462 12.394 1.00 33.00 H new ATOM 0 HA ASP A 30 -8.544 7.038 12.400 1.00 41.25 H new ATOM 0 HB2 ASP A 30 -8.727 4.741 14.421 1.00 52.12 H new ATOM 0 HB3 ASP A 30 -9.823 6.108 14.367 1.00 52.12 H new ATOM 486 N LYS A 31 -6.164 6.601 14.598 1.00 31.25 N ATOM 487 CA LYS A 31 -5.419 7.299 15.658 1.00 54.12 C ATOM 488 C LYS A 31 -4.319 8.231 15.144 1.00 54.22 C ATOM 489 O LYS A 31 -3.884 9.112 15.885 1.00 3.21 O ATOM 490 CB LYS A 31 -4.858 6.305 16.699 1.00 62.31 C ATOM 491 CG LYS A 31 -3.641 5.535 16.159 1.00 23.21 C ATOM 492 CD LYS A 31 -2.337 6.367 16.291 1.00 52.31 C ATOM 493 CE LYS A 31 -1.628 6.481 14.928 1.00 1.21 C ATOM 494 NZ LYS A 31 -0.684 5.338 14.776 1.00 41.14 N ATOM 0 H LYS A 31 -5.728 5.747 14.251 1.00 31.25 H new ATOM 0 HA LYS A 31 -6.150 7.945 16.144 1.00 54.12 H new ATOM 0 HB2 LYS A 31 -4.574 6.846 17.601 1.00 62.31 H new ATOM 0 HB3 LYS A 31 -5.638 5.598 16.983 1.00 62.31 H new ATOM 0 HG2 LYS A 31 -3.532 4.597 16.703 1.00 23.21 H new ATOM 0 HG3 LYS A 31 -3.806 5.279 15.112 1.00 23.21 H new ATOM 0 HD2 LYS A 31 -2.570 7.362 16.670 1.00 52.31 H new ATOM 0 HD3 LYS A 31 -1.671 5.898 17.015 1.00 52.31 H new ATOM 0 HE2 LYS A 31 -2.360 6.474 14.121 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -1.089 7.426 14.862 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -0.092 5.486 13.934 1.00 41.14 H new ATOM 0 HZ2 LYS A 31 -0.077 5.274 15.618 1.00 41.14 H new ATOM 0 HZ3 LYS A 31 -1.223 4.455 14.670 1.00 41.14 H new ATOM 508 N MET A 32 -3.856 8.076 13.905 1.00 3.13 N ATOM 509 CA MET A 32 -2.802 8.977 13.416 1.00 21.14 C ATOM 510 C MET A 32 -3.379 10.313 12.988 1.00 15.43 C ATOM 511 O MET A 32 -4.592 10.512 12.964 1.00 32.15 O ATOM 512 CB MET A 32 -1.996 8.378 12.236 1.00 15.31 C ATOM 513 CG MET A 32 -2.907 7.634 11.248 1.00 0.23 C ATOM 514 SD MET A 32 -1.961 6.323 10.430 1.00 61.54 S ATOM 515 CE MET A 32 -1.932 5.160 11.816 1.00 4.52 C ATOM 0 H MET A 32 -4.174 7.369 13.242 1.00 3.13 H new ATOM 0 HA MET A 32 -2.121 9.117 14.255 1.00 21.14 H new ATOM 0 HB2 MET A 32 -1.467 9.175 11.714 1.00 15.31 H new ATOM 0 HB3 MET A 32 -1.240 7.693 12.621 1.00 15.31 H new ATOM 0 HG2 MET A 32 -3.761 7.208 11.774 1.00 0.23 H new ATOM 0 HG3 MET A 32 -3.303 8.329 10.507 1.00 0.23 H new ATOM 0 HE1 MET A 32 -0.899 4.932 12.078 1.00 4.52 H new ATOM 0 HE2 MET A 32 -2.434 5.605 12.675 1.00 4.52 H new ATOM 0 HE3 MET A 32 -2.445 4.242 11.531 1.00 4.52 H new ATOM 525 N LYS A 33 -2.477 11.219 12.643 1.00 23.10 N ATOM 526 CA LYS A 33 -2.843 12.554 12.190 1.00 64.13 C ATOM 527 C LYS A 33 -2.529 12.662 10.697 1.00 15.40 C ATOM 528 O LYS A 33 -2.009 11.715 10.108 1.00 72.35 O ATOM 529 CB LYS A 33 -2.050 13.613 12.967 1.00 2.42 C ATOM 530 CG LYS A 33 -1.886 13.182 14.429 1.00 12.41 C ATOM 531 CD LYS A 33 -3.261 13.051 15.091 1.00 21.25 C ATOM 532 CE LYS A 33 -3.098 13.029 16.612 1.00 3.31 C ATOM 533 NZ LYS A 33 -2.321 11.822 17.010 1.00 43.44 N ATOM 0 H LYS A 33 -1.471 11.051 12.669 1.00 23.10 H new ATOM 0 HA LYS A 33 -3.906 12.724 12.363 1.00 64.13 H new ATOM 0 HB2 LYS A 33 -1.071 13.753 12.509 1.00 2.42 H new ATOM 0 HB3 LYS A 33 -2.565 14.572 12.918 1.00 2.42 H new ATOM 0 HG2 LYS A 33 -1.356 12.231 14.480 1.00 12.41 H new ATOM 0 HG3 LYS A 33 -1.282 13.912 14.967 1.00 12.41 H new ATOM 0 HD2 LYS A 33 -3.899 13.884 14.795 1.00 21.25 H new ATOM 0 HD3 LYS A 33 -3.752 12.138 14.755 1.00 21.25 H new ATOM 0 HE2 LYS A 33 -2.586 13.931 16.947 1.00 3.31 H new ATOM 0 HE3 LYS A 33 -4.076 13.020 17.093 1.00 3.31 H new ATOM 0 HZ1 LYS A 33 -2.367 11.704 18.042 1.00 43.44 H new ATOM 0 HZ2 LYS A 33 -2.723 10.982 16.547 1.00 43.44 H new ATOM 0 HZ3 LYS A 33 -1.329 11.936 16.719 1.00 43.44 H new ATOM 547 N MET A 34 -2.829 13.797 10.076 1.00 63.34 N ATOM 548 CA MET A 34 -2.575 13.967 8.662 1.00 60.14 C ATOM 549 C MET A 34 -1.125 13.583 8.326 1.00 3.33 C ATOM 550 O MET A 34 -0.210 13.826 9.113 1.00 50.40 O ATOM 551 CB MET A 34 -2.785 15.460 8.362 1.00 71.44 C ATOM 552 CG MET A 34 -3.454 15.643 7.020 1.00 52.31 C ATOM 553 SD MET A 34 -3.632 17.411 6.677 1.00 32.54 S ATOM 554 CE MET A 34 -5.242 17.635 7.481 1.00 61.01 C ATOM 0 H MET A 34 -3.247 14.607 10.533 1.00 63.34 H new ATOM 0 HA MET A 34 -3.237 13.334 8.071 1.00 60.14 H new ATOM 0 HB2 MET A 34 -3.396 15.911 9.144 1.00 71.44 H new ATOM 0 HB3 MET A 34 -1.825 15.977 8.370 1.00 71.44 H new ATOM 0 HG2 MET A 34 -2.863 15.167 6.238 1.00 52.31 H new ATOM 0 HG3 MET A 34 -4.431 15.160 7.019 1.00 52.31 H new ATOM 0 HE1 MET A 34 -5.291 18.628 7.928 1.00 61.01 H new ATOM 0 HE2 MET A 34 -6.036 17.530 6.741 1.00 61.01 H new ATOM 0 HE3 MET A 34 -5.369 16.881 8.258 1.00 61.01 H new ATOM 564 N ALA A 35 -0.935 12.956 7.157 1.00 31.44 N ATOM 565 CA ALA A 35 0.394 12.507 6.724 1.00 13.12 C ATOM 566 C ALA A 35 0.836 13.224 5.448 1.00 2.12 C ATOM 567 O ALA A 35 0.028 13.859 4.772 1.00 15.31 O ATOM 568 CB ALA A 35 0.377 10.994 6.488 1.00 24.32 C ATOM 0 H ALA A 35 -1.684 12.749 6.496 1.00 31.44 H new ATOM 0 HA ALA A 35 1.107 12.749 7.512 1.00 13.12 H new ATOM 0 HB1 ALA A 35 1.365 10.665 6.167 1.00 24.32 H new ATOM 0 HB2 ALA A 35 0.108 10.484 7.413 1.00 24.32 H new ATOM 0 HB3 ALA A 35 -0.354 10.754 5.716 1.00 24.32 H new ATOM 574 N MET A 36 2.133 13.130 5.135 1.00 54.54 N ATOM 575 CA MET A 36 2.684 13.791 3.946 1.00 11.34 C ATOM 576 C MET A 36 3.553 12.827 3.127 1.00 63.31 C ATOM 577 O MET A 36 3.961 11.772 3.612 1.00 74.32 O ATOM 578 CB MET A 36 3.519 15.022 4.360 1.00 15.23 C ATOM 579 CG MET A 36 3.707 15.060 5.882 1.00 64.12 C ATOM 580 SD MET A 36 2.161 15.563 6.673 1.00 62.31 S ATOM 581 CE MET A 36 2.891 16.286 8.162 1.00 14.11 C ATOM 0 H MET A 36 2.816 12.607 5.683 1.00 54.54 H new ATOM 0 HA MET A 36 1.848 14.112 3.324 1.00 11.34 H new ATOM 0 HB2 MET A 36 4.492 14.990 3.869 1.00 15.23 H new ATOM 0 HB3 MET A 36 3.023 15.933 4.027 1.00 15.23 H new ATOM 0 HG2 MET A 36 4.010 14.078 6.245 1.00 64.12 H new ATOM 0 HG3 MET A 36 4.504 15.757 6.143 1.00 64.12 H new ATOM 0 HE1 MET A 36 2.132 16.358 8.941 1.00 14.11 H new ATOM 0 HE2 MET A 36 3.709 15.655 8.509 1.00 14.11 H new ATOM 0 HE3 MET A 36 3.272 17.282 7.934 1.00 14.11 H new ATOM 591 N ALA A 37 3.821 13.204 1.873 1.00 13.23 N ATOM 592 CA ALA A 37 4.637 12.371 0.987 1.00 53.14 C ATOM 593 C ALA A 37 5.223 13.183 -0.178 1.00 0.13 C ATOM 594 O ALA A 37 4.745 14.265 -0.489 1.00 62.44 O ATOM 595 CB ALA A 37 3.785 11.217 0.456 1.00 24.12 C ATOM 0 H ALA A 37 3.488 14.072 1.453 1.00 13.23 H new ATOM 0 HA ALA A 37 5.477 11.978 1.560 1.00 53.14 H new ATOM 0 HB1 ALA A 37 4.388 10.594 -0.204 1.00 24.12 H new ATOM 0 HB2 ALA A 37 3.424 10.617 1.291 1.00 24.12 H new ATOM 0 HB3 ALA A 37 2.936 11.617 -0.098 1.00 24.12 H new ATOM 601 N ARG A 38 6.258 12.641 -0.826 1.00 20.53 N ATOM 602 CA ARG A 38 6.898 13.312 -1.974 1.00 4.52 C ATOM 603 C ARG A 38 7.040 12.314 -3.124 1.00 71.21 C ATOM 604 O ARG A 38 7.483 11.189 -2.897 1.00 22.01 O ATOM 605 CB ARG A 38 8.280 13.837 -1.566 1.00 0.11 C ATOM 606 CG ARG A 38 9.059 14.276 -2.811 1.00 71.03 C ATOM 607 CD ARG A 38 10.197 15.214 -2.403 1.00 41.44 C ATOM 608 NE ARG A 38 11.131 14.522 -1.523 1.00 61.12 N ATOM 609 CZ ARG A 38 12.152 15.162 -0.966 1.00 43.41 C ATOM 610 NH1 ARG A 38 12.335 16.433 -1.204 1.00 1.43 N ATOM 611 NH2 ARG A 38 12.975 14.522 -0.181 1.00 55.23 N ATOM 0 H ARG A 38 6.674 11.742 -0.580 1.00 20.53 H new ATOM 0 HA ARG A 38 6.282 14.152 -2.295 1.00 4.52 H new ATOM 0 HB2 ARG A 38 8.172 14.676 -0.879 1.00 0.11 H new ATOM 0 HB3 ARG A 38 8.832 13.061 -1.036 1.00 0.11 H new ATOM 0 HG2 ARG A 38 9.461 13.404 -3.327 1.00 71.03 H new ATOM 0 HG3 ARG A 38 8.392 14.780 -3.510 1.00 71.03 H new ATOM 0 HD2 ARG A 38 10.719 15.571 -3.291 1.00 41.44 H new ATOM 0 HD3 ARG A 38 9.792 16.091 -1.898 1.00 41.44 H new ATOM 0 HE ARG A 38 10.998 13.529 -1.332 1.00 61.12 H new ATOM 0 HH11 ARG A 38 11.693 16.934 -1.818 1.00 1.43 H new ATOM 0 HH12 ARG A 38 13.120 16.924 -0.776 1.00 1.43 H new ATOM 0 HH21 ARG A 38 12.834 13.529 0.005 1.00 55.23 H new ATOM 0 HH22 ARG A 38 13.759 15.015 0.246 1.00 55.23 H new ATOM 625 N ILE A 39 6.647 12.698 -4.354 1.00 41.21 N ATOM 626 CA ILE A 39 6.706 11.799 -5.514 1.00 15.13 C ATOM 627 C ILE A 39 7.560 12.394 -6.630 1.00 22.01 C ATOM 628 O ILE A 39 7.579 13.607 -6.834 1.00 55.43 O ATOM 629 CB ILE A 39 5.280 11.537 -5.951 1.00 13.54 C ATOM 630 CG1 ILE A 39 5.150 10.408 -6.966 1.00 32.15 C ATOM 631 CG2 ILE A 39 4.705 12.755 -6.552 1.00 62.11 C ATOM 632 CD1 ILE A 39 3.651 10.072 -7.103 1.00 45.13 C ATOM 0 H ILE A 39 6.285 13.628 -4.566 1.00 41.21 H new ATOM 0 HA ILE A 39 7.186 10.856 -5.252 1.00 15.13 H new ATOM 0 HB ILE A 39 4.744 11.241 -5.049 1.00 13.54 H new ATOM 0 HG12 ILE A 39 5.564 10.709 -7.928 1.00 32.15 H new ATOM 0 HG13 ILE A 39 5.710 9.532 -6.638 1.00 32.15 H new ATOM 0 HG21 ILE A 39 3.679 12.558 -6.864 1.00 62.11 H new ATOM 0 HG22 ILE A 39 4.713 13.561 -5.818 1.00 62.11 H new ATOM 0 HG23 ILE A 39 5.298 13.048 -7.419 1.00 62.11 H new ATOM 0 HD11 ILE A 39 3.523 9.265 -7.825 1.00 45.13 H new ATOM 0 HD12 ILE A 39 3.258 9.759 -6.136 1.00 45.13 H new ATOM 0 HD13 ILE A 39 3.110 10.954 -7.446 1.00 45.13 H new ATOM 644 N SER A 40 8.275 11.522 -7.343 1.00 34.35 N ATOM 645 CA SER A 40 9.146 11.954 -8.438 1.00 73.31 C ATOM 646 C SER A 40 9.002 11.012 -9.631 1.00 1.44 C ATOM 647 O SER A 40 8.771 9.815 -9.461 1.00 55.15 O ATOM 648 CB SER A 40 10.606 11.971 -7.962 1.00 71.54 C ATOM 649 OG SER A 40 11.421 11.256 -8.883 1.00 50.44 O ATOM 0 H SER A 40 8.268 10.515 -7.183 1.00 34.35 H new ATOM 0 HA SER A 40 8.854 12.958 -8.746 1.00 73.31 H new ATOM 0 HB2 SER A 40 10.957 12.999 -7.873 1.00 71.54 H new ATOM 0 HB3 SER A 40 10.681 11.522 -6.972 1.00 71.54 H new ATOM 0 HG SER A 40 12.352 11.271 -8.576 1.00 50.44 H new ATOM 655 N PHE A 41 9.115 11.563 -10.838 1.00 70.11 N ATOM 656 CA PHE A 41 8.970 10.762 -12.051 1.00 63.21 C ATOM 657 C PHE A 41 10.304 10.180 -12.519 1.00 41.11 C ATOM 658 O PHE A 41 11.141 10.874 -13.097 1.00 5.24 O ATOM 659 CB PHE A 41 8.365 11.626 -13.170 1.00 33.00 C ATOM 660 CG PHE A 41 6.877 11.365 -13.290 1.00 72.23 C ATOM 661 CD1 PHE A 41 6.087 11.264 -12.139 1.00 0.12 C ATOM 662 CD2 PHE A 41 6.292 11.221 -14.555 1.00 31.51 C ATOM 663 CE1 PHE A 41 4.713 11.020 -12.253 1.00 20.32 C ATOM 664 CE2 PHE A 41 4.919 10.977 -14.669 1.00 11.21 C ATOM 665 CZ PHE A 41 4.129 10.876 -13.517 1.00 3.30 C ATOM 0 H PHE A 41 9.305 12.552 -11.001 1.00 70.11 H new ATOM 0 HA PHE A 41 8.308 9.928 -11.818 1.00 63.21 H new ATOM 0 HB2 PHE A 41 8.540 12.681 -12.959 1.00 33.00 H new ATOM 0 HB3 PHE A 41 8.858 11.404 -14.117 1.00 33.00 H new ATOM 0 HD1 PHE A 41 6.537 11.374 -11.163 1.00 0.12 H new ATOM 0 HD2 PHE A 41 6.902 11.298 -15.443 1.00 31.51 H new ATOM 0 HE1 PHE A 41 4.103 10.943 -11.365 1.00 20.32 H new ATOM 0 HE2 PHE A 41 4.469 10.867 -15.644 1.00 11.21 H new ATOM 0 HZ PHE A 41 3.069 10.687 -13.604 1.00 3.30 H new ATOM 675 N LEU A 42 10.449 8.884 -12.304 1.00 11.24 N ATOM 676 CA LEU A 42 11.640 8.164 -12.745 1.00 65.41 C ATOM 677 C LEU A 42 11.418 7.745 -14.192 1.00 73.33 C ATOM 678 O LEU A 42 12.334 7.725 -15.014 1.00 4.42 O ATOM 679 CB LEU A 42 11.874 6.912 -11.891 1.00 52.33 C ATOM 680 CG LEU A 42 12.463 7.269 -10.521 1.00 74.45 C ATOM 681 CD1 LEU A 42 12.589 5.981 -9.692 1.00 63.34 C ATOM 682 CD2 LEU A 42 13.847 7.924 -10.684 1.00 11.53 C ATOM 0 H LEU A 42 9.758 8.305 -11.827 1.00 11.24 H new ATOM 0 HA LEU A 42 12.513 8.810 -12.647 1.00 65.41 H new ATOM 0 HB2 LEU A 42 10.932 6.381 -11.756 1.00 52.33 H new ATOM 0 HB3 LEU A 42 12.550 6.235 -12.414 1.00 52.33 H new ATOM 0 HG LEU A 42 11.807 7.978 -10.016 1.00 74.45 H new ATOM 0 HD11 LEU A 42 13.007 6.218 -8.713 1.00 63.34 H new ATOM 0 HD12 LEU A 42 11.604 5.531 -9.567 1.00 63.34 H new ATOM 0 HD13 LEU A 42 13.246 5.280 -10.207 1.00 63.34 H new ATOM 0 HD21 LEU A 42 14.251 8.171 -9.702 1.00 11.53 H new ATOM 0 HD22 LEU A 42 14.520 7.231 -11.189 1.00 11.53 H new ATOM 0 HD23 LEU A 42 13.751 8.834 -11.276 1.00 11.53 H new ATOM 694 N GLY A 43 10.166 7.416 -14.466 1.00 34.45 N ATOM 695 CA GLY A 43 9.723 6.988 -15.786 1.00 75.32 C ATOM 696 C GLY A 43 8.243 6.614 -15.720 1.00 1.45 C ATOM 697 O GLY A 43 7.751 6.207 -14.671 1.00 23.42 O ATOM 0 H GLY A 43 9.419 7.438 -13.771 1.00 34.45 H new ATOM 0 HA2 GLY A 43 9.877 7.787 -16.512 1.00 75.32 H new ATOM 0 HA3 GLY A 43 10.312 6.134 -16.122 1.00 75.32 H new ATOM 701 N GLU A 44 7.528 6.758 -16.824 1.00 55.11 N ATOM 702 CA GLU A 44 6.106 6.425 -16.823 1.00 63.34 C ATOM 703 C GLU A 44 5.894 5.025 -16.255 1.00 45.43 C ATOM 704 O GLU A 44 4.864 4.744 -15.640 1.00 42.53 O ATOM 705 CB GLU A 44 5.544 6.500 -18.243 1.00 64.34 C ATOM 706 CG GLU A 44 5.653 7.936 -18.760 1.00 51.34 C ATOM 707 CD GLU A 44 5.048 8.037 -20.156 1.00 65.41 C ATOM 708 OE1 GLU A 44 4.682 7.006 -20.697 1.00 4.13 O ATOM 709 OE2 GLU A 44 4.960 9.142 -20.664 1.00 32.42 O ATOM 0 H GLU A 44 7.894 7.095 -17.714 1.00 55.11 H new ATOM 0 HA GLU A 44 5.581 7.146 -16.196 1.00 63.34 H new ATOM 0 HB2 GLU A 44 6.092 5.824 -18.899 1.00 64.34 H new ATOM 0 HB3 GLU A 44 4.503 6.177 -18.251 1.00 64.34 H new ATOM 0 HG2 GLU A 44 5.137 8.615 -18.081 1.00 51.34 H new ATOM 0 HG3 GLU A 44 6.698 8.244 -18.785 1.00 51.34 H new ATOM 716 N ASP A 45 6.879 4.153 -16.453 1.00 53.31 N ATOM 717 CA ASP A 45 6.799 2.785 -15.947 1.00 11.13 C ATOM 718 C ASP A 45 7.597 2.657 -14.653 1.00 10.04 C ATOM 719 O ASP A 45 7.913 1.553 -14.212 1.00 52.13 O ATOM 720 CB ASP A 45 7.353 1.805 -16.987 1.00 4.14 C ATOM 721 CG ASP A 45 6.908 2.221 -18.384 1.00 51.14 C ATOM 722 OD1 ASP A 45 5.883 2.875 -18.488 1.00 32.45 O ATOM 723 OD2 ASP A 45 7.598 1.879 -19.330 1.00 22.02 O ATOM 0 H ASP A 45 7.739 4.368 -16.958 1.00 53.31 H new ATOM 0 HA ASP A 45 5.753 2.548 -15.750 1.00 11.13 H new ATOM 0 HB2 ASP A 45 8.442 1.783 -16.935 1.00 4.14 H new ATOM 0 HB3 ASP A 45 7.003 0.796 -16.770 1.00 4.14 H new ATOM 728 N GLU A 46 7.930 3.798 -14.056 1.00 32.31 N ATOM 729 CA GLU A 46 8.705 3.801 -12.822 1.00 73.43 C ATOM 730 C GLU A 46 8.722 5.191 -12.184 1.00 34.51 C ATOM 731 O GLU A 46 9.072 6.175 -12.827 1.00 30.11 O ATOM 732 CB GLU A 46 10.141 3.365 -13.129 1.00 4.15 C ATOM 733 CG GLU A 46 10.932 3.206 -11.830 1.00 30.44 C ATOM 734 CD GLU A 46 12.393 2.900 -12.145 1.00 45.35 C ATOM 735 OE1 GLU A 46 12.724 2.838 -13.318 1.00 60.32 O ATOM 736 OE2 GLU A 46 13.158 2.731 -11.210 1.00 54.02 O ATOM 0 H GLU A 46 7.678 4.723 -14.403 1.00 32.31 H new ATOM 0 HA GLU A 46 8.241 3.108 -12.120 1.00 73.43 H new ATOM 0 HB2 GLU A 46 10.134 2.423 -13.677 1.00 4.15 H new ATOM 0 HB3 GLU A 46 10.624 4.103 -13.770 1.00 4.15 H new ATOM 0 HG2 GLU A 46 10.862 4.118 -11.238 1.00 30.44 H new ATOM 0 HG3 GLU A 46 10.505 2.403 -11.230 1.00 30.44 H new ATOM 743 N LEU A 47 8.346 5.267 -10.911 1.00 40.43 N ATOM 744 CA LEU A 47 8.338 6.543 -10.194 1.00 11.44 C ATOM 745 C LEU A 47 8.857 6.345 -8.771 1.00 10.44 C ATOM 746 O LEU A 47 8.681 5.289 -8.175 1.00 44.20 O ATOM 747 CB LEU A 47 6.934 7.176 -10.171 1.00 20.14 C ATOM 748 CG LEU A 47 5.852 6.101 -10.317 1.00 54.12 C ATOM 749 CD1 LEU A 47 4.504 6.708 -9.916 1.00 2.14 C ATOM 750 CD2 LEU A 47 5.788 5.582 -11.771 1.00 3.34 C ATOM 0 H LEU A 47 8.044 4.467 -10.355 1.00 40.43 H new ATOM 0 HA LEU A 47 8.997 7.230 -10.725 1.00 11.44 H new ATOM 0 HB2 LEU A 47 6.790 7.719 -9.237 1.00 20.14 H new ATOM 0 HB3 LEU A 47 6.844 7.902 -10.979 1.00 20.14 H new ATOM 0 HG LEU A 47 6.091 5.257 -9.670 1.00 54.12 H new ATOM 0 HD11 LEU A 47 3.722 5.955 -10.014 1.00 2.14 H new ATOM 0 HD12 LEU A 47 4.552 7.049 -8.882 1.00 2.14 H new ATOM 0 HD13 LEU A 47 4.278 7.553 -10.566 1.00 2.14 H new ATOM 0 HD21 LEU A 47 5.013 4.820 -11.851 1.00 3.34 H new ATOM 0 HD22 LEU A 47 5.555 6.408 -12.442 1.00 3.34 H new ATOM 0 HD23 LEU A 47 6.751 5.151 -12.046 1.00 3.34 H new ATOM 762 N LYS A 48 9.496 7.371 -8.230 1.00 13.43 N ATOM 763 CA LYS A 48 10.023 7.299 -6.870 1.00 71.43 C ATOM 764 C LYS A 48 9.098 8.055 -5.926 1.00 61.35 C ATOM 765 O LYS A 48 8.887 9.255 -6.103 1.00 11.03 O ATOM 766 CB LYS A 48 11.421 7.921 -6.817 1.00 32.54 C ATOM 767 CG LYS A 48 12.126 7.493 -5.527 1.00 70.50 C ATOM 768 CD LYS A 48 13.340 8.393 -5.281 1.00 65.55 C ATOM 769 CE LYS A 48 14.255 8.373 -6.509 1.00 70.34 C ATOM 770 NZ LYS A 48 13.697 9.273 -7.559 1.00 14.31 N ATOM 0 H LYS A 48 9.663 8.258 -8.705 1.00 13.43 H new ATOM 0 HA LYS A 48 10.084 6.254 -6.566 1.00 71.43 H new ATOM 0 HB2 LYS A 48 12.003 7.606 -7.683 1.00 32.54 H new ATOM 0 HB3 LYS A 48 11.348 9.008 -6.860 1.00 32.54 H new ATOM 0 HG2 LYS A 48 11.436 7.558 -4.685 1.00 70.50 H new ATOM 0 HG3 LYS A 48 12.441 6.452 -5.601 1.00 70.50 H new ATOM 0 HD2 LYS A 48 13.013 9.412 -5.076 1.00 65.55 H new ATOM 0 HD3 LYS A 48 13.887 8.050 -4.403 1.00 65.55 H new ATOM 0 HE2 LYS A 48 15.259 8.697 -6.233 1.00 70.34 H new ATOM 0 HE3 LYS A 48 14.342 7.357 -6.894 1.00 70.34 H new ATOM 0 HZ1 LYS A 48 14.474 9.768 -8.041 1.00 14.31 H new ATOM 0 HZ2 LYS A 48 13.164 8.710 -8.252 1.00 14.31 H new ATOM 0 HZ3 LYS A 48 13.063 9.970 -7.118 1.00 14.31 H new ATOM 784 N VAL A 49 8.548 7.367 -4.917 1.00 44.43 N ATOM 785 CA VAL A 49 7.657 8.039 -3.970 1.00 22.14 C ATOM 786 C VAL A 49 7.989 7.681 -2.525 1.00 40.03 C ATOM 787 O VAL A 49 8.379 6.560 -2.201 1.00 3.01 O ATOM 788 CB VAL A 49 6.158 7.840 -4.345 1.00 12.35 C ATOM 789 CG1 VAL A 49 5.489 6.649 -3.650 1.00 63.23 C ATOM 790 CG2 VAL A 49 5.364 9.085 -3.961 1.00 41.24 C ATOM 0 H VAL A 49 8.699 6.374 -4.740 1.00 44.43 H new ATOM 0 HA VAL A 49 7.834 9.112 -4.048 1.00 22.14 H new ATOM 0 HB VAL A 49 6.152 7.651 -5.418 1.00 12.35 H new ATOM 0 HG11 VAL A 49 4.448 6.581 -3.966 1.00 63.23 H new ATOM 0 HG12 VAL A 49 6.010 5.731 -3.920 1.00 63.23 H new ATOM 0 HG13 VAL A 49 5.532 6.787 -2.570 1.00 63.23 H new ATOM 0 HG21 VAL A 49 4.316 8.944 -4.224 1.00 41.24 H new ATOM 0 HG22 VAL A 49 5.449 9.254 -2.888 1.00 41.24 H new ATOM 0 HG23 VAL A 49 5.759 9.948 -4.497 1.00 41.24 H new ATOM 800 N SER A 50 7.856 8.703 -1.682 1.00 14.24 N ATOM 801 CA SER A 50 8.164 8.594 -0.255 1.00 60.14 C ATOM 802 C SER A 50 6.918 8.730 0.607 1.00 75.14 C ATOM 803 O SER A 50 5.991 9.465 0.266 1.00 13.45 O ATOM 804 CB SER A 50 9.158 9.686 0.133 1.00 14.31 C ATOM 805 OG SER A 50 10.419 9.409 -0.460 1.00 10.25 O ATOM 0 H SER A 50 7.533 9.628 -1.966 1.00 14.24 H new ATOM 0 HA SER A 50 8.590 7.606 -0.082 1.00 60.14 H new ATOM 0 HB2 SER A 50 8.794 10.659 -0.198 1.00 14.31 H new ATOM 0 HB3 SER A 50 9.257 9.735 1.217 1.00 14.31 H new ATOM 0 HG SER A 50 11.058 10.110 -0.213 1.00 10.25 H new ATOM 811 N TYR A 51 6.916 8.025 1.739 1.00 72.42 N ATOM 812 CA TYR A 51 5.793 8.077 2.666 1.00 41.53 C ATOM 813 C TYR A 51 6.222 8.768 3.957 1.00 53.10 C ATOM 814 O TYR A 51 7.220 8.377 4.565 1.00 44.43 O ATOM 815 CB TYR A 51 5.358 6.652 3.049 1.00 45.40 C ATOM 816 CG TYR A 51 4.849 5.862 1.856 1.00 72.31 C ATOM 817 CD1 TYR A 51 5.655 5.673 0.720 1.00 1.41 C ATOM 818 CD2 TYR A 51 3.571 5.287 1.902 1.00 4.41 C ATOM 819 CE1 TYR A 51 5.179 4.916 -0.357 1.00 60.03 C ATOM 820 CE2 TYR A 51 3.100 4.534 0.821 1.00 14.42 C ATOM 821 CZ TYR A 51 3.902 4.348 -0.304 1.00 62.13 C ATOM 822 OH TYR A 51 3.436 3.596 -1.359 1.00 32.04 O ATOM 0 H TYR A 51 7.678 7.414 2.032 1.00 72.42 H new ATOM 0 HA TYR A 51 4.979 8.616 2.180 1.00 41.53 H new ATOM 0 HB2 TYR A 51 6.201 6.126 3.497 1.00 45.40 H new ATOM 0 HB3 TYR A 51 4.576 6.705 3.807 1.00 45.40 H new ATOM 0 HD1 TYR A 51 6.641 6.112 0.678 1.00 1.41 H new ATOM 0 HD2 TYR A 51 2.949 5.426 2.774 1.00 4.41 H new ATOM 0 HE1 TYR A 51 5.798 4.770 -1.230 1.00 60.03 H new ATOM 0 HE2 TYR A 51 2.113 4.096 0.858 1.00 14.42 H new ATOM 0 HH TYR A 51 4.144 3.500 -2.030 1.00 32.04 H new ATOM 832 N ALA A 52 5.469 9.777 4.390 1.00 63.05 N ATOM 833 CA ALA A 52 5.791 10.483 5.629 1.00 54.43 C ATOM 834 C ALA A 52 4.576 10.476 6.548 1.00 70.23 C ATOM 835 O ALA A 52 3.577 11.142 6.274 1.00 70.14 O ATOM 836 CB ALA A 52 6.215 11.925 5.320 1.00 11.31 C ATOM 0 H ALA A 52 4.639 10.122 3.907 1.00 63.05 H new ATOM 0 HA ALA A 52 6.619 9.978 6.127 1.00 54.43 H new ATOM 0 HB1 ALA A 52 6.453 12.442 6.250 1.00 11.31 H new ATOM 0 HB2 ALA A 52 7.094 11.916 4.675 1.00 11.31 H new ATOM 0 HB3 ALA A 52 5.400 12.444 4.815 1.00 11.31 H new ATOM 842 N VAL A 53 4.660 9.705 7.634 1.00 13.22 N ATOM 843 CA VAL A 53 3.555 9.599 8.585 1.00 60.10 C ATOM 844 C VAL A 53 4.019 10.023 9.987 1.00 35.32 C ATOM 845 O VAL A 53 4.884 9.371 10.571 1.00 70.25 O ATOM 846 CB VAL A 53 3.075 8.139 8.628 1.00 51.24 C ATOM 847 CG1 VAL A 53 1.617 8.082 9.094 1.00 43.21 C ATOM 848 CG2 VAL A 53 3.188 7.523 7.228 1.00 12.32 C ATOM 0 H VAL A 53 5.479 9.147 7.875 1.00 13.22 H new ATOM 0 HA VAL A 53 2.743 10.254 8.269 1.00 60.10 H new ATOM 0 HB VAL A 53 3.696 7.578 9.327 1.00 51.24 H new ATOM 0 HG11 VAL A 53 1.284 7.044 9.122 1.00 43.21 H new ATOM 0 HG12 VAL A 53 1.536 8.516 10.091 1.00 43.21 H new ATOM 0 HG13 VAL A 53 0.991 8.645 8.401 1.00 43.21 H new ATOM 0 HG21 VAL A 53 2.848 6.488 7.257 1.00 12.32 H new ATOM 0 HG22 VAL A 53 2.570 8.088 6.531 1.00 12.32 H new ATOM 0 HG23 VAL A 53 4.227 7.554 6.899 1.00 12.32 H new ATOM 858 N PRO A 54 3.473 11.082 10.545 1.00 55.04 N ATOM 859 CA PRO A 54 3.861 11.556 11.902 1.00 52.13 C ATOM 860 C PRO A 54 3.095 10.832 13.005 1.00 61.54 C ATOM 861 O PRO A 54 1.944 10.437 12.819 1.00 33.05 O ATOM 862 CB PRO A 54 3.488 13.035 11.859 1.00 21.43 C ATOM 863 CG PRO A 54 2.276 13.085 10.985 1.00 13.30 C ATOM 864 CD PRO A 54 2.437 11.955 9.958 1.00 42.11 C ATOM 0 HA PRO A 54 4.911 11.372 12.128 1.00 52.13 H new ATOM 0 HB2 PRO A 54 3.276 13.421 12.856 1.00 21.43 H new ATOM 0 HB3 PRO A 54 4.299 13.638 11.450 1.00 21.43 H new ATOM 0 HG2 PRO A 54 1.368 12.950 11.572 1.00 13.30 H new ATOM 0 HG3 PRO A 54 2.194 14.052 10.489 1.00 13.30 H new ATOM 0 HD2 PRO A 54 1.501 11.417 9.807 1.00 42.11 H new ATOM 0 HD3 PRO A 54 2.744 12.340 8.986 1.00 42.11 H new ATOM 872 N LYS A 55 3.738 10.670 14.157 1.00 12.13 N ATOM 873 CA LYS A 55 3.105 10.002 15.289 1.00 51.21 C ATOM 874 C LYS A 55 3.741 10.469 16.603 1.00 61.43 C ATOM 875 O LYS A 55 4.959 10.626 16.679 1.00 73.41 O ATOM 876 CB LYS A 55 3.263 8.485 15.160 1.00 75.43 C ATOM 877 CG LYS A 55 2.463 7.977 13.956 1.00 52.15 C ATOM 878 CD LYS A 55 2.320 6.457 14.042 1.00 60.51 C ATOM 879 CE LYS A 55 3.706 5.818 14.154 1.00 64.12 C ATOM 880 NZ LYS A 55 4.647 6.504 13.223 1.00 12.03 N ATOM 0 H LYS A 55 4.691 10.990 14.331 1.00 12.13 H new ATOM 0 HA LYS A 55 2.045 10.256 15.292 1.00 51.21 H new ATOM 0 HB2 LYS A 55 4.316 8.229 15.042 1.00 75.43 H new ATOM 0 HB3 LYS A 55 2.916 7.996 16.070 1.00 75.43 H new ATOM 0 HG2 LYS A 55 1.479 8.445 13.937 1.00 52.15 H new ATOM 0 HG3 LYS A 55 2.966 8.254 13.029 1.00 52.15 H new ATOM 0 HD2 LYS A 55 1.713 6.187 14.906 1.00 60.51 H new ATOM 0 HD3 LYS A 55 1.804 6.079 13.159 1.00 60.51 H new ATOM 0 HE2 LYS A 55 4.071 5.894 15.178 1.00 64.12 H new ATOM 0 HE3 LYS A 55 3.649 4.756 13.914 1.00 64.12 H new ATOM 0 HZ1 LYS A 55 5.279 5.802 12.789 1.00 12.03 H new ATOM 0 HZ2 LYS A 55 4.107 6.990 12.479 1.00 12.03 H new ATOM 0 HZ3 LYS A 55 5.213 7.199 13.751 1.00 12.03 H new ATOM 894 N PRO A 56 2.956 10.690 17.633 1.00 11.11 N ATOM 895 CA PRO A 56 3.485 11.145 18.955 1.00 20.22 C ATOM 896 C PRO A 56 4.265 10.041 19.668 1.00 53.52 C ATOM 897 O PRO A 56 5.204 10.315 20.416 1.00 72.41 O ATOM 898 CB PRO A 56 2.223 11.528 19.738 1.00 42.05 C ATOM 899 CG PRO A 56 1.134 10.699 19.139 1.00 32.32 C ATOM 900 CD PRO A 56 1.489 10.538 17.661 1.00 23.11 C ATOM 0 HA PRO A 56 4.192 11.969 18.857 1.00 20.22 H new ATOM 0 HB2 PRO A 56 2.339 11.319 20.802 1.00 42.05 H new ATOM 0 HB3 PRO A 56 2.007 12.592 19.644 1.00 42.05 H new ATOM 0 HG2 PRO A 56 1.067 9.729 19.632 1.00 32.32 H new ATOM 0 HG3 PRO A 56 0.165 11.184 19.257 1.00 32.32 H new ATOM 0 HD2 PRO A 56 1.180 9.565 17.279 1.00 23.11 H new ATOM 0 HD3 PRO A 56 0.997 11.292 17.047 1.00 23.11 H new ATOM 908 N ASN A 57 3.868 8.794 19.433 1.00 34.52 N ATOM 909 CA ASN A 57 4.535 7.658 20.059 1.00 1.40 C ATOM 910 C ASN A 57 5.854 7.353 19.356 1.00 24.11 C ATOM 911 O ASN A 57 6.768 6.784 19.952 1.00 35.05 O ATOM 912 CB ASN A 57 3.629 6.428 20.006 1.00 44.12 C ATOM 913 CG ASN A 57 2.374 6.668 20.837 1.00 32.21 C ATOM 914 OD1 ASN A 57 1.668 7.655 20.628 1.00 55.25 O ATOM 915 ND2 ASN A 57 2.050 5.819 21.775 1.00 52.15 N ATOM 0 H ASN A 57 3.093 8.546 18.818 1.00 34.52 H new ATOM 0 HA ASN A 57 4.743 7.912 21.098 1.00 1.40 H new ATOM 0 HB2 ASN A 57 3.355 6.212 18.973 1.00 44.12 H new ATOM 0 HB3 ASN A 57 4.163 5.556 20.383 1.00 44.12 H new ATOM 0 HD21 ASN A 57 1.212 5.973 22.335 1.00 52.15 H new ATOM 0 HD22 ASN A 57 2.635 5.002 21.947 1.00 52.15 H new ATOM 922 N GLY A 58 5.946 7.736 18.087 1.00 2.53 N ATOM 923 CA GLY A 58 7.159 7.497 17.314 1.00 31.12 C ATOM 924 C GLY A 58 6.918 7.745 15.829 1.00 62.42 C ATOM 925 O GLY A 58 6.268 6.948 15.154 1.00 10.55 O ATOM 0 H GLY A 58 5.202 8.210 17.575 1.00 2.53 H new ATOM 0 HA2 GLY A 58 7.956 8.149 17.671 1.00 31.12 H new ATOM 0 HA3 GLY A 58 7.495 6.471 17.465 1.00 31.12 H new ATOM 929 N CYS A 59 7.444 8.858 15.327 1.00 51.21 N ATOM 930 CA CYS A 59 7.280 9.204 13.921 1.00 2.24 C ATOM 931 C CYS A 59 8.022 8.210 13.032 1.00 44.25 C ATOM 932 O CYS A 59 9.048 7.656 13.427 1.00 11.32 O ATOM 933 CB CYS A 59 7.810 10.618 13.669 1.00 5.11 C ATOM 934 SG CYS A 59 7.353 11.688 15.055 1.00 2.50 S ATOM 0 H CYS A 59 7.984 9.532 15.870 1.00 51.21 H new ATOM 0 HA CYS A 59 6.219 9.165 13.676 1.00 2.24 H new ATOM 0 HB2 CYS A 59 8.894 10.597 13.554 1.00 5.11 H new ATOM 0 HB3 CYS A 59 7.398 11.012 12.740 1.00 5.11 H new ATOM 939 N ARG A 60 7.497 7.988 11.829 1.00 15.55 N ATOM 940 CA ARG A 60 8.116 7.057 10.885 1.00 62.22 C ATOM 941 C ARG A 60 8.232 7.693 9.502 1.00 15.31 C ATOM 942 O ARG A 60 7.232 8.077 8.897 1.00 53.25 O ATOM 943 CB ARG A 60 7.281 5.778 10.791 1.00 21.43 C ATOM 944 CG ARG A 60 7.978 4.781 9.864 1.00 63.34 C ATOM 945 CD ARG A 60 7.288 3.420 9.966 1.00 62.30 C ATOM 946 NE ARG A 60 7.525 2.833 11.281 1.00 43.34 N ATOM 947 CZ ARG A 60 7.395 1.526 11.484 1.00 14.55 C ATOM 948 NH1 ARG A 60 7.049 0.744 10.498 1.00 45.05 N ATOM 949 NH2 ARG A 60 7.614 1.025 12.668 1.00 12.20 N ATOM 0 H ARG A 60 6.648 8.437 11.485 1.00 15.55 H new ATOM 0 HA ARG A 60 9.115 6.814 11.246 1.00 62.22 H new ATOM 0 HB2 ARG A 60 7.152 5.341 11.781 1.00 21.43 H new ATOM 0 HB3 ARG A 60 6.285 6.008 10.412 1.00 21.43 H new ATOM 0 HG2 ARG A 60 7.946 5.141 8.836 1.00 63.34 H new ATOM 0 HG3 ARG A 60 9.029 4.689 10.136 1.00 63.34 H new ATOM 0 HD2 ARG A 60 6.217 3.533 9.798 1.00 62.30 H new ATOM 0 HD3 ARG A 60 7.664 2.754 9.189 1.00 62.30 H new ATOM 0 HE ARG A 60 7.795 3.436 12.058 1.00 43.34 H new ATOM 0 HH11 ARG A 60 6.878 1.136 9.572 1.00 45.05 H new ATOM 0 HH12 ARG A 60 6.949 -0.259 10.654 1.00 45.05 H new ATOM 0 HH21 ARG A 60 7.885 1.636 13.438 1.00 12.20 H new ATOM 0 HH22 ARG A 60 7.514 0.022 12.824 1.00 12.20 H new ATOM 963 N LYS A 61 9.464 7.796 9.009 1.00 3.20 N ATOM 964 CA LYS A 61 9.716 8.382 7.692 1.00 4.24 C ATOM 965 C LYS A 61 10.676 7.504 6.894 1.00 4.32 C ATOM 966 O LYS A 61 11.719 7.093 7.401 1.00 43.24 O ATOM 967 CB LYS A 61 10.310 9.782 7.850 1.00 10.22 C ATOM 968 CG LYS A 61 11.576 9.709 8.707 1.00 42.34 C ATOM 969 CD LYS A 61 12.021 11.122 9.085 1.00 30.40 C ATOM 970 CE LYS A 61 13.342 11.053 9.853 1.00 52.32 C ATOM 971 NZ LYS A 61 13.837 12.434 10.115 1.00 63.14 N ATOM 0 H LYS A 61 10.302 7.483 9.499 1.00 3.20 H new ATOM 0 HA LYS A 61 8.770 8.449 7.154 1.00 4.24 H new ATOM 0 HB2 LYS A 61 10.545 10.201 6.871 1.00 10.22 H new ATOM 0 HB3 LYS A 61 9.582 10.447 8.315 1.00 10.22 H new ATOM 0 HG2 LYS A 61 11.385 9.124 9.607 1.00 42.34 H new ATOM 0 HG3 LYS A 61 12.370 9.201 8.159 1.00 42.34 H new ATOM 0 HD2 LYS A 61 12.141 11.729 8.188 1.00 30.40 H new ATOM 0 HD3 LYS A 61 11.258 11.604 9.696 1.00 30.40 H new ATOM 0 HE2 LYS A 61 13.201 10.521 10.794 1.00 52.32 H new ATOM 0 HE3 LYS A 61 14.080 10.493 9.278 1.00 52.32 H new ATOM 0 HZ1 LYS A 61 14.735 12.388 10.637 1.00 63.14 H new ATOM 0 HZ2 LYS A 61 13.987 12.926 9.211 1.00 63.14 H new ATOM 0 HZ3 LYS A 61 13.135 12.953 10.680 1.00 63.14 H new ATOM 985 N TRP A 62 10.320 7.218 5.645 1.00 55.34 N ATOM 986 CA TRP A 62 11.166 6.387 4.796 1.00 74.55 C ATOM 987 C TRP A 62 10.838 6.611 3.320 1.00 43.13 C ATOM 988 O TRP A 62 9.938 7.379 2.980 1.00 12.21 O ATOM 989 CB TRP A 62 11.009 4.906 5.198 1.00 73.22 C ATOM 990 CG TRP A 62 10.103 4.181 4.252 1.00 3.41 C ATOM 991 CD1 TRP A 62 8.838 4.548 3.949 1.00 64.13 C ATOM 992 CD2 TRP A 62 10.377 2.974 3.489 1.00 54.25 C ATOM 993 NE1 TRP A 62 8.315 3.640 3.045 1.00 34.23 N ATOM 994 CE2 TRP A 62 9.230 2.651 2.729 1.00 25.41 C ATOM 995 CE3 TRP A 62 11.503 2.138 3.384 1.00 21.20 C ATOM 996 CZ2 TRP A 62 9.203 1.533 1.893 1.00 43.24 C ATOM 997 CZ3 TRP A 62 11.478 1.013 2.544 1.00 1.43 C ATOM 998 CH2 TRP A 62 10.330 0.712 1.800 1.00 54.30 C ATOM 0 H TRP A 62 9.461 7.545 5.203 1.00 55.34 H new ATOM 0 HA TRP A 62 12.209 6.671 4.939 1.00 74.55 H new ATOM 0 HB2 TRP A 62 11.987 4.424 5.210 1.00 73.22 H new ATOM 0 HB3 TRP A 62 10.609 4.842 6.210 1.00 73.22 H new ATOM 0 HD1 TRP A 62 8.320 5.408 4.347 1.00 64.13 H new ATOM 0 HE1 TRP A 62 7.372 3.693 2.659 1.00 34.23 H new ATOM 0 HE3 TRP A 62 12.393 2.363 3.953 1.00 21.20 H new ATOM 0 HZ2 TRP A 62 8.316 1.304 1.321 1.00 43.24 H new ATOM 0 HZ3 TRP A 62 12.348 0.377 2.471 1.00 1.43 H new ATOM 0 HH2 TRP A 62 10.316 -0.154 1.155 1.00 54.30 H new ATOM 1009 N GLU A 63 11.590 5.939 2.453 1.00 70.22 N ATOM 1010 CA GLU A 63 11.399 6.066 1.006 1.00 32.22 C ATOM 1011 C GLU A 63 11.000 4.731 0.381 1.00 23.05 C ATOM 1012 O GLU A 63 11.229 3.668 0.957 1.00 21.10 O ATOM 1013 CB GLU A 63 12.694 6.563 0.360 1.00 54.11 C ATOM 1014 CG GLU A 63 12.473 6.778 -1.138 1.00 43.30 C ATOM 1015 CD GLU A 63 13.628 7.581 -1.726 1.00 12.33 C ATOM 1016 OE1 GLU A 63 13.600 8.795 -1.609 1.00 75.32 O ATOM 1017 OE2 GLU A 63 14.524 6.970 -2.285 1.00 22.45 O ATOM 0 H GLU A 63 12.338 5.300 2.724 1.00 70.22 H new ATOM 0 HA GLU A 63 10.595 6.781 0.830 1.00 32.22 H new ATOM 0 HB2 GLU A 63 13.011 7.495 0.828 1.00 54.11 H new ATOM 0 HB3 GLU A 63 13.493 5.839 0.519 1.00 54.11 H new ATOM 0 HG2 GLU A 63 12.394 5.816 -1.644 1.00 43.30 H new ATOM 0 HG3 GLU A 63 11.533 7.304 -1.303 1.00 43.30 H new ATOM 1024 N THR A 64 10.407 4.803 -0.809 1.00 2.50 N ATOM 1025 CA THR A 64 9.979 3.602 -1.528 1.00 63.24 C ATOM 1026 C THR A 64 10.039 3.831 -3.036 1.00 65.10 C ATOM 1027 O THR A 64 9.742 4.923 -3.521 1.00 2.44 O ATOM 1028 CB THR A 64 8.547 3.229 -1.132 1.00 71.13 C ATOM 1029 OG1 THR A 64 8.382 3.403 0.268 1.00 52.42 O ATOM 1030 CG2 THR A 64 8.274 1.770 -1.505 1.00 63.50 C ATOM 0 H THR A 64 10.212 5.678 -1.296 1.00 2.50 H new ATOM 0 HA THR A 64 10.654 2.789 -1.261 1.00 63.24 H new ATOM 0 HB THR A 64 7.845 3.873 -1.662 1.00 71.13 H new ATOM 0 HG1 THR A 64 9.023 2.836 0.746 1.00 52.42 H new ATOM 0 HG21 THR A 64 7.255 1.507 -1.222 1.00 63.50 H new ATOM 0 HG22 THR A 64 8.397 1.640 -2.580 1.00 63.50 H new ATOM 0 HG23 THR A 64 8.975 1.123 -0.978 1.00 63.50 H new ATOM 1038 N THR A 65 10.418 2.789 -3.774 1.00 34.42 N ATOM 1039 CA THR A 65 10.509 2.877 -5.233 1.00 15.15 C ATOM 1040 C THR A 65 9.382 2.079 -5.884 1.00 3.42 C ATOM 1041 O THR A 65 9.005 1.013 -5.396 1.00 62.32 O ATOM 1042 CB THR A 65 11.859 2.330 -5.702 1.00 45.40 C ATOM 1043 OG1 THR A 65 12.906 3.017 -5.030 1.00 52.35 O ATOM 1044 CG2 THR A 65 11.998 2.536 -7.211 1.00 73.41 C ATOM 0 H THR A 65 10.666 1.877 -3.389 1.00 34.42 H new ATOM 0 HA THR A 65 10.418 3.923 -5.526 1.00 15.15 H new ATOM 0 HB THR A 65 11.919 1.265 -5.476 1.00 45.40 H new ATOM 0 HG1 THR A 65 13.771 2.667 -5.328 1.00 52.35 H new ATOM 0 HG21 THR A 65 12.960 2.146 -7.544 1.00 73.41 H new ATOM 0 HG22 THR A 65 11.195 2.009 -7.726 1.00 73.41 H new ATOM 0 HG23 THR A 65 11.939 3.600 -7.440 1.00 73.41 H new ATOM 1052 N PHE A 66 8.836 2.610 -6.977 1.00 72.43 N ATOM 1053 CA PHE A 66 7.732 1.963 -7.692 1.00 45.13 C ATOM 1054 C PHE A 66 8.215 1.523 -9.075 1.00 64.34 C ATOM 1055 O PHE A 66 8.690 2.350 -9.851 1.00 15.01 O ATOM 1056 CB PHE A 66 6.612 2.995 -7.891 1.00 32.41 C ATOM 1057 CG PHE A 66 5.808 3.291 -6.633 1.00 4.43 C ATOM 1058 CD1 PHE A 66 6.114 2.723 -5.381 1.00 12.44 C ATOM 1059 CD2 PHE A 66 4.723 4.170 -6.744 1.00 72.30 C ATOM 1060 CE1 PHE A 66 5.332 3.039 -4.263 1.00 45.24 C ATOM 1061 CE2 PHE A 66 3.947 4.480 -5.627 1.00 23.34 C ATOM 1062 CZ PHE A 66 4.248 3.915 -4.388 1.00 24.24 C ATOM 0 H PHE A 66 9.141 3.491 -7.390 1.00 72.43 H new ATOM 0 HA PHE A 66 7.378 1.103 -7.123 1.00 45.13 H new ATOM 0 HB2 PHE A 66 7.050 3.924 -8.256 1.00 32.41 H new ATOM 0 HB3 PHE A 66 5.935 2.635 -8.666 1.00 32.41 H new ATOM 0 HD1 PHE A 66 6.949 2.046 -5.283 1.00 12.44 H new ATOM 0 HD2 PHE A 66 4.486 4.611 -7.701 1.00 72.30 H new ATOM 0 HE1 PHE A 66 5.566 2.605 -3.302 1.00 45.24 H new ATOM 0 HE2 PHE A 66 3.112 5.158 -5.722 1.00 23.34 H new ATOM 0 HZ PHE A 66 3.644 4.154 -3.525 1.00 24.24 H new ATOM 1072 N LYS A 67 8.144 0.216 -9.368 1.00 51.44 N ATOM 1073 CA LYS A 67 8.640 -0.305 -10.648 1.00 44.51 C ATOM 1074 C LYS A 67 7.564 -1.022 -11.467 1.00 43.43 C ATOM 1075 O LYS A 67 6.538 -1.478 -10.935 1.00 23.43 O ATOM 1076 CB LYS A 67 9.783 -1.290 -10.391 1.00 32.50 C ATOM 1077 CG LYS A 67 10.988 -0.555 -9.791 1.00 41.22 C ATOM 1078 CD LYS A 67 12.256 -1.393 -9.989 1.00 32.33 C ATOM 1079 CE LYS A 67 12.186 -2.653 -9.125 1.00 51.41 C ATOM 1080 NZ LYS A 67 11.898 -2.276 -7.712 1.00 74.14 N ATOM 0 H LYS A 67 7.753 -0.490 -8.745 1.00 51.44 H new ATOM 0 HA LYS A 67 8.975 0.558 -11.223 1.00 44.51 H new ATOM 0 HB2 LYS A 67 9.451 -2.075 -9.712 1.00 32.50 H new ATOM 0 HB3 LYS A 67 10.071 -1.776 -11.323 1.00 32.50 H new ATOM 0 HG2 LYS A 67 11.106 0.419 -10.267 1.00 41.22 H new ATOM 0 HG3 LYS A 67 10.823 -0.373 -8.729 1.00 41.22 H new ATOM 0 HD2 LYS A 67 12.362 -1.667 -11.039 1.00 32.33 H new ATOM 0 HD3 LYS A 67 13.135 -0.807 -9.722 1.00 32.33 H new ATOM 0 HE2 LYS A 67 11.409 -3.320 -9.499 1.00 51.41 H new ATOM 0 HE3 LYS A 67 13.128 -3.198 -9.182 1.00 51.41 H new ATOM 0 HZ1 LYS A 67 12.329 -2.973 -7.072 1.00 74.14 H new ATOM 0 HZ2 LYS A 67 12.294 -1.335 -7.516 1.00 74.14 H new ATOM 0 HZ3 LYS A 67 10.869 -2.257 -7.561 1.00 74.14 H new ATOM 1094 N LYS A 68 7.797 -1.056 -12.784 1.00 22.24 N ATOM 1095 CA LYS A 68 6.862 -1.685 -13.716 1.00 65.00 C ATOM 1096 C LYS A 68 5.485 -1.113 -13.487 1.00 54.50 C ATOM 1097 O LYS A 68 4.579 -1.797 -13.012 1.00 63.41 O ATOM 1098 CB LYS A 68 6.837 -3.199 -13.502 1.00 23.31 C ATOM 1099 CG LYS A 68 8.222 -3.779 -13.801 1.00 65.04 C ATOM 1100 CD LYS A 68 8.166 -5.305 -13.712 1.00 51.41 C ATOM 1101 CE LYS A 68 9.573 -5.879 -13.886 1.00 25.13 C ATOM 1102 NZ LYS A 68 9.532 -7.358 -13.713 1.00 10.44 N ATOM 0 H LYS A 68 8.625 -0.655 -13.225 1.00 22.24 H new ATOM 0 HA LYS A 68 7.181 -1.486 -14.739 1.00 65.00 H new ATOM 0 HB2 LYS A 68 6.549 -3.427 -12.476 1.00 23.31 H new ATOM 0 HB3 LYS A 68 6.091 -3.657 -14.152 1.00 23.31 H new ATOM 0 HG2 LYS A 68 8.549 -3.474 -14.795 1.00 65.04 H new ATOM 0 HG3 LYS A 68 8.952 -3.389 -13.092 1.00 65.04 H new ATOM 0 HD2 LYS A 68 7.754 -5.609 -12.749 1.00 51.41 H new ATOM 0 HD3 LYS A 68 7.503 -5.701 -14.481 1.00 51.41 H new ATOM 0 HE2 LYS A 68 9.960 -5.628 -14.874 1.00 25.13 H new ATOM 0 HE3 LYS A 68 10.251 -5.436 -13.157 1.00 25.13 H new ATOM 0 HZ1 LYS A 68 10.489 -7.748 -13.831 1.00 10.44 H new ATOM 0 HZ2 LYS A 68 9.180 -7.587 -12.761 1.00 10.44 H new ATOM 0 HZ3 LYS A 68 8.898 -7.773 -14.425 1.00 10.44 H new ATOM 1116 N THR A 69 5.364 0.169 -13.770 1.00 51.02 N ATOM 1117 CA THR A 69 4.142 0.882 -13.544 1.00 71.51 C ATOM 1118 C THR A 69 3.462 1.309 -14.846 1.00 64.43 C ATOM 1119 O THR A 69 3.511 2.475 -15.233 1.00 62.13 O ATOM 1120 CB THR A 69 4.526 2.085 -12.705 1.00 12.00 C ATOM 1121 OG1 THR A 69 5.271 2.997 -13.500 1.00 13.24 O ATOM 1122 CG2 THR A 69 5.389 1.605 -11.520 1.00 73.54 C ATOM 0 H THR A 69 6.115 0.737 -14.162 1.00 51.02 H new ATOM 0 HA THR A 69 3.412 0.248 -13.041 1.00 71.51 H new ATOM 0 HB THR A 69 3.631 2.584 -12.333 1.00 12.00 H new ATOM 0 HG1 THR A 69 4.702 3.345 -14.218 1.00 13.24 H new ATOM 0 HG21 THR A 69 5.673 2.460 -10.907 1.00 73.54 H new ATOM 0 HG22 THR A 69 4.818 0.899 -10.916 1.00 73.54 H new ATOM 0 HG23 THR A 69 6.287 1.116 -11.898 1.00 73.54 H new ATOM 1130 N SER A 70 2.811 0.351 -15.502 1.00 74.51 N ATOM 1131 CA SER A 70 2.106 0.627 -16.751 1.00 21.01 C ATOM 1132 C SER A 70 1.055 -0.447 -17.018 1.00 10.32 C ATOM 1133 O SER A 70 0.486 -0.521 -18.108 1.00 24.32 O ATOM 1134 CB SER A 70 3.100 0.673 -17.913 1.00 53.14 C ATOM 1135 OG SER A 70 4.235 1.437 -17.530 1.00 53.12 O ATOM 0 H SER A 70 2.757 -0.619 -15.191 1.00 74.51 H new ATOM 0 HA SER A 70 1.609 1.593 -16.662 1.00 21.01 H new ATOM 0 HB2 SER A 70 3.403 -0.337 -18.187 1.00 53.14 H new ATOM 0 HB3 SER A 70 2.630 1.114 -18.792 1.00 53.14 H new ATOM 0 HG SER A 70 4.434 2.098 -18.226 1.00 53.12 H new ATOM 1141 N ASP A 71 0.815 -1.285 -16.015 1.00 0.23 N ATOM 1142 CA ASP A 71 -0.153 -2.367 -16.131 1.00 54.51 C ATOM 1143 C ASP A 71 -1.507 -1.864 -16.636 1.00 3.02 C ATOM 1144 O ASP A 71 -1.815 -1.966 -17.823 1.00 43.30 O ATOM 1145 CB ASP A 71 -0.327 -3.029 -14.759 1.00 11.01 C ATOM 1146 CG ASP A 71 0.779 -4.052 -14.520 1.00 62.51 C ATOM 1147 OD1 ASP A 71 0.875 -4.985 -15.298 1.00 31.30 O ATOM 1148 OD2 ASP A 71 1.515 -3.887 -13.560 1.00 63.31 O ATOM 0 H ASP A 71 1.281 -1.234 -15.109 1.00 0.23 H new ATOM 0 HA ASP A 71 0.223 -3.088 -16.857 1.00 54.51 H new ATOM 0 HB2 ASP A 71 -0.305 -2.271 -13.976 1.00 11.01 H new ATOM 0 HB3 ASP A 71 -1.300 -3.516 -14.704 1.00 11.01 H new ATOM 1153 N ASP A 72 -2.316 -1.336 -15.720 1.00 43.12 N ATOM 1154 CA ASP A 72 -3.644 -0.836 -16.074 1.00 20.24 C ATOM 1155 C ASP A 72 -3.579 0.653 -16.352 1.00 75.14 C ATOM 1156 O ASP A 72 -3.975 1.472 -15.524 1.00 54.22 O ATOM 1157 CB ASP A 72 -4.626 -1.102 -14.933 1.00 52.33 C ATOM 1158 CG ASP A 72 -4.907 -2.598 -14.825 1.00 41.20 C ATOM 1159 OD1 ASP A 72 -4.500 -3.322 -15.718 1.00 10.34 O ATOM 1160 OD2 ASP A 72 -5.524 -2.995 -13.851 1.00 10.50 O ATOM 0 H ASP A 72 -2.078 -1.243 -14.733 1.00 43.12 H new ATOM 0 HA ASP A 72 -3.987 -1.354 -16.969 1.00 20.24 H new ATOM 0 HB2 ASP A 72 -4.214 -0.732 -13.994 1.00 52.33 H new ATOM 0 HB3 ASP A 72 -5.556 -0.561 -15.109 1.00 52.33 H new ATOM 1165 N GLY A 73 -3.053 1.002 -17.515 1.00 10.12 N ATOM 1166 CA GLY A 73 -2.914 2.398 -17.873 1.00 34.13 C ATOM 1167 C GLY A 73 -1.735 2.987 -17.117 1.00 54.02 C ATOM 1168 O GLY A 73 -0.588 2.860 -17.546 1.00 71.12 O ATOM 0 H GLY A 73 -2.719 0.343 -18.219 1.00 10.12 H new ATOM 0 HA2 GLY A 73 -2.760 2.498 -18.947 1.00 34.13 H new ATOM 0 HA3 GLY A 73 -3.827 2.942 -17.630 1.00 34.13 H new ATOM 1172 N GLU A 74 -2.012 3.587 -15.960 1.00 23.14 N ATOM 1173 CA GLU A 74 -0.958 4.139 -15.115 1.00 13.14 C ATOM 1174 C GLU A 74 -1.107 3.622 -13.689 1.00 63.23 C ATOM 1175 O GLU A 74 -1.835 4.219 -12.895 1.00 12.44 O ATOM 1176 CB GLU A 74 -1.029 5.663 -15.113 1.00 31.33 C ATOM 1177 CG GLU A 74 -0.638 6.201 -16.492 1.00 23.31 C ATOM 1178 CD GLU A 74 0.843 5.947 -16.750 1.00 4.33 C ATOM 1179 OE1 GLU A 74 1.551 5.662 -15.798 1.00 12.03 O ATOM 1180 OE2 GLU A 74 1.249 6.041 -17.897 1.00 20.24 O ATOM 0 H GLU A 74 -2.955 3.702 -15.589 1.00 23.14 H new ATOM 0 HA GLU A 74 0.007 3.826 -15.514 1.00 13.14 H new ATOM 0 HB2 GLU A 74 -2.037 5.989 -14.858 1.00 31.33 H new ATOM 0 HB3 GLU A 74 -0.361 6.067 -14.352 1.00 31.33 H new ATOM 0 HG2 GLU A 74 -1.238 5.718 -17.263 1.00 23.31 H new ATOM 0 HG3 GLU A 74 -0.847 7.269 -16.547 1.00 23.31 H new ATOM 1187 N VAL A 75 -0.430 2.532 -13.342 1.00 55.32 N ATOM 1188 CA VAL A 75 -0.512 1.978 -11.993 1.00 2.32 C ATOM 1189 C VAL A 75 0.881 1.586 -11.537 1.00 1.22 C ATOM 1190 O VAL A 75 1.729 1.298 -12.367 1.00 63.33 O ATOM 1191 CB VAL A 75 -1.424 0.755 -11.964 1.00 64.11 C ATOM 1192 CG1 VAL A 75 -1.549 0.241 -10.519 1.00 32.41 C ATOM 1193 CG2 VAL A 75 -2.803 1.143 -12.509 1.00 24.21 C ATOM 0 H VAL A 75 0.181 2.015 -13.974 1.00 55.32 H new ATOM 0 HA VAL A 75 -0.929 2.731 -11.324 1.00 2.32 H new ATOM 0 HB VAL A 75 -1.003 -0.037 -12.584 1.00 64.11 H new ATOM 0 HG11 VAL A 75 -2.201 -0.633 -10.499 1.00 32.41 H new ATOM 0 HG12 VAL A 75 -0.563 -0.033 -10.144 1.00 32.41 H new ATOM 0 HG13 VAL A 75 -1.972 1.024 -9.890 1.00 32.41 H new ATOM 0 HG21 VAL A 75 -3.459 0.273 -12.491 1.00 24.21 H new ATOM 0 HG22 VAL A 75 -3.230 1.932 -11.890 1.00 24.21 H new ATOM 0 HG23 VAL A 75 -2.702 1.500 -13.534 1.00 24.21 H new ATOM 1203 N TYR A 76 1.130 1.610 -10.231 1.00 0.10 N ATOM 1204 CA TYR A 76 2.479 1.280 -9.730 1.00 1.14 C ATOM 1205 C TYR A 76 2.520 -0.092 -9.069 1.00 33.00 C ATOM 1206 O TYR A 76 1.577 -0.473 -8.383 1.00 22.34 O ATOM 1207 CB TYR A 76 2.928 2.347 -8.699 1.00 54.13 C ATOM 1208 CG TYR A 76 3.457 1.685 -7.426 1.00 60.11 C ATOM 1209 CD1 TYR A 76 4.580 0.843 -7.475 1.00 41.13 C ATOM 1210 CD2 TYR A 76 2.812 1.897 -6.202 1.00 43.42 C ATOM 1211 CE1 TYR A 76 5.046 0.226 -6.312 1.00 12.03 C ATOM 1212 CE2 TYR A 76 3.286 1.279 -5.037 1.00 70.24 C ATOM 1213 CZ TYR A 76 4.400 0.445 -5.093 1.00 20.12 C ATOM 1214 OH TYR A 76 4.862 -0.163 -3.945 1.00 14.42 O ATOM 0 H TYR A 76 0.446 1.845 -9.512 1.00 0.10 H new ATOM 0 HA TYR A 76 3.153 1.267 -10.587 1.00 1.14 H new ATOM 0 HB2 TYR A 76 3.703 2.977 -9.135 1.00 54.13 H new ATOM 0 HB3 TYR A 76 2.089 2.998 -8.454 1.00 54.13 H new ATOM 0 HD1 TYR A 76 5.085 0.672 -8.415 1.00 41.13 H new ATOM 0 HD2 TYR A 76 1.945 2.540 -6.155 1.00 43.42 H new ATOM 0 HE1 TYR A 76 5.909 -0.423 -6.355 1.00 12.03 H new ATOM 0 HE2 TYR A 76 2.787 1.450 -4.095 1.00 70.24 H new ATOM 0 HH TYR A 76 4.381 -1.005 -3.805 1.00 14.42 H new ATOM 1224 N TYR A 77 3.640 -0.837 -9.265 1.00 45.44 N ATOM 1225 CA TYR A 77 3.764 -2.147 -8.646 1.00 15.32 C ATOM 1226 C TYR A 77 5.200 -2.448 -8.193 1.00 5.31 C ATOM 1227 O TYR A 77 6.148 -2.339 -8.968 1.00 31.34 O ATOM 1228 CB TYR A 77 3.287 -3.230 -9.621 1.00 12.41 C ATOM 1229 CG TYR A 77 3.568 -4.601 -9.049 1.00 31.32 C ATOM 1230 CD1 TYR A 77 2.688 -5.167 -8.118 1.00 31.00 C ATOM 1231 CD2 TYR A 77 4.708 -5.305 -9.452 1.00 34.24 C ATOM 1232 CE1 TYR A 77 2.949 -6.438 -7.591 1.00 50.53 C ATOM 1233 CE2 TYR A 77 4.969 -6.576 -8.925 1.00 75.04 C ATOM 1234 CZ TYR A 77 4.090 -7.142 -7.994 1.00 51.15 C ATOM 1235 OH TYR A 77 4.347 -8.394 -7.474 1.00 14.13 O ATOM 0 H TYR A 77 4.437 -0.549 -9.832 1.00 45.44 H new ATOM 0 HA TYR A 77 3.137 -2.145 -7.754 1.00 15.32 H new ATOM 0 HB2 TYR A 77 2.219 -3.117 -9.809 1.00 12.41 H new ATOM 0 HB3 TYR A 77 3.793 -3.116 -10.580 1.00 12.41 H new ATOM 0 HD1 TYR A 77 1.808 -4.623 -7.807 1.00 31.00 H new ATOM 0 HD2 TYR A 77 5.387 -4.868 -10.170 1.00 34.24 H new ATOM 0 HE1 TYR A 77 2.270 -6.875 -6.874 1.00 50.53 H new ATOM 0 HE2 TYR A 77 5.849 -7.120 -9.237 1.00 75.04 H new ATOM 0 HH TYR A 77 5.177 -8.744 -7.859 1.00 14.13 H new ATOM 1245 N SER A 78 5.353 -2.830 -6.919 1.00 33.44 N ATOM 1246 CA SER A 78 6.674 -3.161 -6.375 1.00 51.31 C ATOM 1247 C SER A 78 6.761 -4.661 -6.105 1.00 44.42 C ATOM 1248 O SER A 78 6.232 -5.160 -5.113 1.00 55.11 O ATOM 1249 CB SER A 78 6.926 -2.391 -5.071 1.00 53.44 C ATOM 1250 OG SER A 78 7.770 -1.278 -5.338 1.00 70.33 O ATOM 0 H SER A 78 4.586 -2.917 -6.252 1.00 33.44 H new ATOM 0 HA SER A 78 7.431 -2.876 -7.105 1.00 51.31 H new ATOM 0 HB2 SER A 78 5.981 -2.052 -4.647 1.00 53.44 H new ATOM 0 HB3 SER A 78 7.390 -3.045 -4.333 1.00 53.44 H new ATOM 0 HG SER A 78 7.455 -0.500 -4.833 1.00 70.33 H new ATOM 1256 N GLU A 79 7.427 -5.367 -7.003 1.00 64.42 N ATOM 1257 CA GLU A 79 7.578 -6.810 -6.868 1.00 30.01 C ATOM 1258 C GLU A 79 8.081 -7.169 -5.470 1.00 2.23 C ATOM 1259 O GLU A 79 7.730 -8.213 -4.923 1.00 4.33 O ATOM 1260 CB GLU A 79 8.562 -7.329 -7.917 1.00 33.30 C ATOM 1261 CG GLU A 79 8.508 -8.858 -7.957 1.00 30.34 C ATOM 1262 CD GLU A 79 9.549 -9.389 -8.936 1.00 33.33 C ATOM 1263 OE1 GLU A 79 10.240 -8.581 -9.534 1.00 65.52 O ATOM 1264 OE2 GLU A 79 9.643 -10.598 -9.072 1.00 23.34 O ATOM 0 H GLU A 79 7.871 -4.969 -7.831 1.00 64.42 H new ATOM 0 HA GLU A 79 6.604 -7.276 -7.020 1.00 30.01 H new ATOM 0 HB2 GLU A 79 8.314 -6.920 -8.897 1.00 33.30 H new ATOM 0 HB3 GLU A 79 9.572 -6.997 -7.679 1.00 33.30 H new ATOM 0 HG2 GLU A 79 8.692 -9.263 -6.962 1.00 30.34 H new ATOM 0 HG3 GLU A 79 7.513 -9.188 -8.256 1.00 30.34 H new ATOM 1271 N GLU A 80 8.915 -6.300 -4.906 1.00 4.13 N ATOM 1272 CA GLU A 80 9.475 -6.535 -3.577 1.00 34.44 C ATOM 1273 C GLU A 80 8.508 -6.136 -2.458 1.00 22.20 C ATOM 1274 O GLU A 80 8.380 -6.847 -1.461 1.00 25.24 O ATOM 1275 CB GLU A 80 10.777 -5.747 -3.423 1.00 1.22 C ATOM 1276 CG GLU A 80 11.805 -6.261 -4.433 1.00 12.50 C ATOM 1277 CD GLU A 80 13.133 -5.536 -4.240 1.00 21.23 C ATOM 1278 OE1 GLU A 80 13.153 -4.561 -3.507 1.00 33.43 O ATOM 1279 OE2 GLU A 80 14.112 -5.967 -4.829 1.00 3.01 O ATOM 0 H GLU A 80 9.217 -5.430 -5.345 1.00 4.13 H new ATOM 0 HA GLU A 80 9.662 -7.605 -3.487 1.00 34.44 H new ATOM 0 HB2 GLU A 80 10.593 -4.685 -3.583 1.00 1.22 H new ATOM 0 HB3 GLU A 80 11.162 -5.854 -2.409 1.00 1.22 H new ATOM 0 HG2 GLU A 80 11.946 -7.335 -4.307 1.00 12.50 H new ATOM 0 HG3 GLU A 80 11.440 -6.104 -5.448 1.00 12.50 H new ATOM 1286 N ALA A 81 7.858 -4.982 -2.606 1.00 25.42 N ATOM 1287 CA ALA A 81 6.940 -4.487 -1.573 1.00 41.45 C ATOM 1288 C ALA A 81 5.503 -4.970 -1.789 1.00 51.33 C ATOM 1289 O ALA A 81 4.599 -4.550 -1.067 1.00 34.11 O ATOM 1290 CB ALA A 81 6.963 -2.953 -1.557 1.00 41.11 C ATOM 0 H ALA A 81 7.946 -4.376 -3.421 1.00 25.42 H new ATOM 0 HA ALA A 81 7.281 -4.885 -0.617 1.00 41.45 H new ATOM 0 HB1 ALA A 81 6.281 -2.587 -0.790 1.00 41.11 H new ATOM 0 HB2 ALA A 81 7.973 -2.607 -1.340 1.00 41.11 H new ATOM 0 HB3 ALA A 81 6.651 -2.574 -2.530 1.00 41.11 H new ATOM 1296 N LYS A 82 5.298 -5.849 -2.772 1.00 51.43 N ATOM 1297 CA LYS A 82 3.957 -6.380 -3.067 1.00 20.21 C ATOM 1298 C LYS A 82 2.872 -5.375 -2.692 1.00 61.12 C ATOM 1299 O LYS A 82 1.936 -5.680 -1.944 1.00 24.41 O ATOM 1300 CB LYS A 82 3.732 -7.694 -2.316 1.00 71.13 C ATOM 1301 CG LYS A 82 4.702 -8.754 -2.839 1.00 50.23 C ATOM 1302 CD LYS A 82 4.401 -10.096 -2.169 1.00 25.51 C ATOM 1303 CE LYS A 82 5.455 -11.123 -2.590 1.00 23.00 C ATOM 1304 NZ LYS A 82 6.759 -10.784 -1.951 1.00 51.05 N ATOM 0 H LYS A 82 6.036 -6.209 -3.377 1.00 51.43 H new ATOM 0 HA LYS A 82 3.897 -6.564 -4.140 1.00 20.21 H new ATOM 0 HB2 LYS A 82 3.882 -7.544 -1.247 1.00 71.13 H new ATOM 0 HB3 LYS A 82 2.704 -8.030 -2.449 1.00 71.13 H new ATOM 0 HG2 LYS A 82 4.608 -8.846 -3.921 1.00 50.23 H new ATOM 0 HG3 LYS A 82 5.730 -8.455 -2.633 1.00 50.23 H new ATOM 0 HD2 LYS A 82 4.401 -9.982 -1.085 1.00 25.51 H new ATOM 0 HD3 LYS A 82 3.407 -10.442 -2.453 1.00 25.51 H new ATOM 0 HE2 LYS A 82 5.142 -12.124 -2.294 1.00 23.00 H new ATOM 0 HE3 LYS A 82 5.560 -11.129 -3.675 1.00 23.00 H new ATOM 0 HZ1 LYS A 82 7.372 -11.624 -1.945 1.00 51.05 H new ATOM 0 HZ2 LYS A 82 7.221 -10.022 -2.488 1.00 51.05 H new ATOM 0 HZ3 LYS A 82 6.595 -10.469 -0.974 1.00 51.05 H new ATOM 1318 N LYS A 83 3.015 -4.182 -3.243 1.00 61.34 N ATOM 1319 CA LYS A 83 2.068 -3.096 -3.001 1.00 5.42 C ATOM 1320 C LYS A 83 1.962 -2.209 -4.232 1.00 43.43 C ATOM 1321 O LYS A 83 2.972 -1.764 -4.777 1.00 51.02 O ATOM 1322 CB LYS A 83 2.526 -2.260 -1.802 1.00 12.21 C ATOM 1323 CG LYS A 83 1.437 -1.248 -1.434 1.00 44.23 C ATOM 1324 CD LYS A 83 1.970 -0.285 -0.369 1.00 74.25 C ATOM 1325 CE LYS A 83 2.350 -1.065 0.895 1.00 0.32 C ATOM 1326 NZ LYS A 83 3.744 -1.578 0.761 1.00 40.13 N ATOM 0 H LYS A 83 3.783 -3.935 -3.867 1.00 61.34 H new ATOM 0 HA LYS A 83 1.090 -3.526 -2.787 1.00 5.42 H new ATOM 0 HB2 LYS A 83 2.735 -2.909 -0.952 1.00 12.21 H new ATOM 0 HB3 LYS A 83 3.454 -1.740 -2.042 1.00 12.21 H new ATOM 0 HG2 LYS A 83 1.128 -0.692 -2.320 1.00 44.23 H new ATOM 0 HG3 LYS A 83 0.555 -1.768 -1.060 1.00 44.23 H new ATOM 0 HD2 LYS A 83 2.839 0.250 -0.752 1.00 74.25 H new ATOM 0 HD3 LYS A 83 1.214 0.463 -0.132 1.00 74.25 H new ATOM 0 HE2 LYS A 83 2.271 -0.421 1.771 1.00 0.32 H new ATOM 0 HE3 LYS A 83 1.659 -1.894 1.045 1.00 0.32 H new ATOM 0 HZ1 LYS A 83 4.136 -1.769 1.705 1.00 40.13 H new ATOM 0 HZ2 LYS A 83 3.739 -2.457 0.204 1.00 40.13 H new ATOM 0 HZ3 LYS A 83 4.331 -0.867 0.280 1.00 40.13 H new ATOM 1340 N LYS A 84 0.733 -1.972 -4.678 1.00 12.51 N ATOM 1341 CA LYS A 84 0.500 -1.154 -5.865 1.00 13.44 C ATOM 1342 C LYS A 84 -0.550 -0.087 -5.607 1.00 44.44 C ATOM 1343 O LYS A 84 -1.497 -0.299 -4.848 1.00 11.55 O ATOM 1344 CB LYS A 84 0.048 -2.053 -7.022 1.00 32.15 C ATOM 1345 CG LYS A 84 -0.857 -3.164 -6.481 1.00 61.44 C ATOM 1346 CD LYS A 84 -1.630 -3.804 -7.636 1.00 25.05 C ATOM 1347 CE LYS A 84 -2.445 -4.987 -7.111 1.00 75.31 C ATOM 1348 NZ LYS A 84 -1.535 -5.954 -6.433 1.00 64.50 N ATOM 0 H LYS A 84 -0.114 -2.332 -4.239 1.00 12.51 H new ATOM 0 HA LYS A 84 1.433 -0.653 -6.123 1.00 13.44 H new ATOM 0 HB2 LYS A 84 -0.487 -1.464 -7.767 1.00 32.15 H new ATOM 0 HB3 LYS A 84 0.915 -2.486 -7.521 1.00 32.15 H new ATOM 0 HG2 LYS A 84 -0.258 -3.917 -5.969 1.00 61.44 H new ATOM 0 HG3 LYS A 84 -1.552 -2.756 -5.747 1.00 61.44 H new ATOM 0 HD2 LYS A 84 -2.291 -3.069 -8.097 1.00 25.05 H new ATOM 0 HD3 LYS A 84 -0.938 -4.140 -8.409 1.00 25.05 H new ATOM 0 HE2 LYS A 84 -3.206 -4.637 -6.414 1.00 75.31 H new ATOM 0 HE3 LYS A 84 -2.967 -5.477 -7.933 1.00 75.31 H new ATOM 0 HZ1 LYS A 84 -1.975 -6.896 -6.424 1.00 64.50 H new ATOM 0 HZ2 LYS A 84 -0.631 -5.999 -6.946 1.00 64.50 H new ATOM 0 HZ3 LYS A 84 -1.363 -5.642 -5.456 1.00 64.50 H new ATOM 1362 N VAL A 85 -0.384 1.056 -6.273 1.00 1.33 N ATOM 1363 CA VAL A 85 -1.339 2.149 -6.136 1.00 51.31 C ATOM 1364 C VAL A 85 -1.684 2.719 -7.506 1.00 52.24 C ATOM 1365 O VAL A 85 -0.811 2.941 -8.346 1.00 71.10 O ATOM 1366 CB VAL A 85 -0.823 3.242 -5.163 1.00 52.31 C ATOM 1367 CG1 VAL A 85 -0.077 2.580 -4.000 1.00 41.50 C ATOM 1368 CG2 VAL A 85 0.101 4.307 -5.842 1.00 71.05 C ATOM 0 H VAL A 85 0.394 1.245 -6.905 1.00 1.33 H new ATOM 0 HA VAL A 85 -2.254 1.754 -5.696 1.00 51.31 H new ATOM 0 HB VAL A 85 -1.702 3.780 -4.807 1.00 52.31 H new ATOM 0 HG11 VAL A 85 0.286 3.348 -3.316 1.00 41.50 H new ATOM 0 HG12 VAL A 85 -0.753 1.910 -3.468 1.00 41.50 H new ATOM 0 HG13 VAL A 85 0.768 2.010 -4.387 1.00 41.50 H new ATOM 0 HG21 VAL A 85 0.422 5.037 -5.099 1.00 71.05 H new ATOM 0 HG22 VAL A 85 0.975 3.813 -6.266 1.00 71.05 H new ATOM 0 HG23 VAL A 85 -0.449 4.814 -6.635 1.00 71.05 H new ATOM 1378 N GLU A 86 -2.980 2.903 -7.739 1.00 5.11 N ATOM 1379 CA GLU A 86 -3.454 3.397 -9.027 1.00 3.32 C ATOM 1380 C GLU A 86 -4.205 4.701 -8.851 1.00 11.42 C ATOM 1381 O GLU A 86 -5.138 4.800 -8.056 1.00 54.22 O ATOM 1382 CB GLU A 86 -4.384 2.355 -9.667 1.00 11.43 C ATOM 1383 CG GLU A 86 -5.205 2.995 -10.795 1.00 22.21 C ATOM 1384 CD GLU A 86 -5.752 1.916 -11.724 1.00 63.34 C ATOM 1385 OE1 GLU A 86 -5.746 0.762 -11.328 1.00 62.21 O ATOM 1386 OE2 GLU A 86 -6.168 2.258 -12.819 1.00 63.21 O ATOM 0 H GLU A 86 -3.716 2.719 -7.058 1.00 5.11 H new ATOM 0 HA GLU A 86 -2.593 3.570 -9.673 1.00 3.32 H new ATOM 0 HB2 GLU A 86 -3.796 1.526 -10.061 1.00 11.43 H new ATOM 0 HB3 GLU A 86 -5.052 1.941 -8.912 1.00 11.43 H new ATOM 0 HG2 GLU A 86 -6.027 3.574 -10.374 1.00 22.21 H new ATOM 0 HG3 GLU A 86 -4.583 3.690 -11.359 1.00 22.21 H new ATOM 1393 N VAL A 87 -3.790 5.691 -9.620 1.00 0.33 N ATOM 1394 CA VAL A 87 -4.422 7.000 -9.567 1.00 31.11 C ATOM 1395 C VAL A 87 -5.870 6.912 -10.048 1.00 2.45 C ATOM 1396 O VAL A 87 -6.132 6.832 -11.247 1.00 14.23 O ATOM 1397 CB VAL A 87 -3.629 7.991 -10.431 1.00 63.04 C ATOM 1398 CG1 VAL A 87 -3.163 7.296 -11.713 1.00 51.21 C ATOM 1399 CG2 VAL A 87 -4.507 9.201 -10.791 1.00 34.51 C ATOM 0 H VAL A 87 -3.022 5.616 -10.287 1.00 0.33 H new ATOM 0 HA VAL A 87 -4.426 7.352 -8.535 1.00 31.11 H new ATOM 0 HB VAL A 87 -2.762 8.337 -9.868 1.00 63.04 H new ATOM 0 HG11 VAL A 87 -2.600 8.001 -12.325 1.00 51.21 H new ATOM 0 HG12 VAL A 87 -2.526 6.449 -11.457 1.00 51.21 H new ATOM 0 HG13 VAL A 87 -4.030 6.943 -12.271 1.00 51.21 H new ATOM 0 HG21 VAL A 87 -3.934 9.897 -11.404 1.00 34.51 H new ATOM 0 HG22 VAL A 87 -5.382 8.863 -11.347 1.00 34.51 H new ATOM 0 HG23 VAL A 87 -4.829 9.702 -9.878 1.00 34.51 H new ATOM 1409 N LEU A 88 -6.807 6.927 -9.104 1.00 41.20 N ATOM 1410 CA LEU A 88 -8.217 6.848 -9.455 1.00 43.03 C ATOM 1411 C LEU A 88 -8.690 8.214 -9.933 1.00 34.50 C ATOM 1412 O LEU A 88 -9.228 8.345 -11.032 1.00 31.10 O ATOM 1413 CB LEU A 88 -9.034 6.395 -8.233 1.00 35.44 C ATOM 1414 CG LEU A 88 -10.307 5.654 -8.676 1.00 11.52 C ATOM 1415 CD1 LEU A 88 -11.093 6.521 -9.662 1.00 53.12 C ATOM 1416 CD2 LEU A 88 -9.945 4.311 -9.340 1.00 21.43 C ATOM 0 H LEU A 88 -6.617 6.992 -8.104 1.00 41.20 H new ATOM 0 HA LEU A 88 -8.358 6.120 -10.254 1.00 43.03 H new ATOM 0 HB2 LEU A 88 -8.427 5.743 -7.605 1.00 35.44 H new ATOM 0 HB3 LEU A 88 -9.303 7.261 -7.628 1.00 35.44 H new ATOM 0 HG LEU A 88 -10.920 5.456 -7.797 1.00 11.52 H new ATOM 0 HD11 LEU A 88 -11.994 5.992 -9.973 1.00 53.12 H new ATOM 0 HD12 LEU A 88 -11.371 7.459 -9.181 1.00 53.12 H new ATOM 0 HD13 LEU A 88 -10.475 6.730 -10.535 1.00 53.12 H new ATOM 0 HD21 LEU A 88 -10.857 3.800 -9.647 1.00 21.43 H new ATOM 0 HD22 LEU A 88 -9.319 4.494 -10.214 1.00 21.43 H new ATOM 0 HD23 LEU A 88 -9.402 3.688 -8.629 1.00 21.43 H new ATOM 1428 N ASP A 89 -8.465 9.238 -9.113 1.00 52.04 N ATOM 1429 CA ASP A 89 -8.839 10.599 -9.454 1.00 22.30 C ATOM 1430 C ASP A 89 -7.789 11.525 -8.855 1.00 51.35 C ATOM 1431 O ASP A 89 -7.385 11.349 -7.705 1.00 43.23 O ATOM 1432 CB ASP A 89 -10.217 10.942 -8.875 1.00 5.43 C ATOM 1433 CG ASP A 89 -10.805 12.148 -9.600 1.00 21.30 C ATOM 1434 OD1 ASP A 89 -11.363 11.958 -10.669 1.00 2.35 O ATOM 1435 OD2 ASP A 89 -10.688 13.244 -9.077 1.00 41.13 O ATOM 0 H ASP A 89 -8.021 9.144 -8.200 1.00 52.04 H new ATOM 0 HA ASP A 89 -8.891 10.713 -10.537 1.00 22.30 H new ATOM 0 HB2 ASP A 89 -10.885 10.087 -8.975 1.00 5.43 H new ATOM 0 HB3 ASP A 89 -10.130 11.155 -7.810 1.00 5.43 H new ATOM 1440 N THR A 90 -7.328 12.489 -9.629 1.00 4.01 N ATOM 1441 CA THR A 90 -6.304 13.408 -9.150 1.00 50.20 C ATOM 1442 C THR A 90 -6.482 14.762 -9.841 1.00 53.34 C ATOM 1443 O THR A 90 -6.596 14.835 -11.065 1.00 62.12 O ATOM 1444 CB THR A 90 -4.914 12.771 -9.424 1.00 11.42 C ATOM 1445 OG1 THR A 90 -4.044 12.898 -8.297 1.00 65.02 O ATOM 1446 CG2 THR A 90 -4.245 13.416 -10.637 1.00 13.20 C ATOM 0 H THR A 90 -7.641 12.658 -10.585 1.00 4.01 H new ATOM 0 HA THR A 90 -6.389 13.583 -8.078 1.00 50.20 H new ATOM 0 HB THR A 90 -5.088 11.713 -9.620 1.00 11.42 H new ATOM 0 HG1 THR A 90 -3.216 13.345 -8.572 1.00 65.02 H new ATOM 0 HG21 THR A 90 -3.274 12.952 -10.807 1.00 13.20 H new ATOM 0 HG22 THR A 90 -4.873 13.275 -11.517 1.00 13.20 H new ATOM 0 HG23 THR A 90 -4.110 14.482 -10.454 1.00 13.20 H new ATOM 1454 N ASP A 91 -6.508 15.831 -9.051 1.00 20.02 N ATOM 1455 CA ASP A 91 -6.673 17.176 -9.612 1.00 42.32 C ATOM 1456 C ASP A 91 -5.679 18.130 -8.979 1.00 61.40 C ATOM 1457 O ASP A 91 -5.401 19.210 -9.499 1.00 3.42 O ATOM 1458 CB ASP A 91 -8.096 17.674 -9.358 1.00 65.05 C ATOM 1459 CG ASP A 91 -8.329 18.985 -10.102 1.00 11.04 C ATOM 1460 OD1 ASP A 91 -7.410 19.441 -10.762 1.00 64.23 O ATOM 1461 OD2 ASP A 91 -9.424 19.514 -10.000 1.00 44.42 O ATOM 0 H ASP A 91 -6.419 15.799 -8.035 1.00 20.02 H new ATOM 0 HA ASP A 91 -6.492 17.134 -10.686 1.00 42.32 H new ATOM 0 HB2 ASP A 91 -8.817 16.926 -9.688 1.00 65.05 H new ATOM 0 HB3 ASP A 91 -8.254 17.819 -8.289 1.00 65.05 H new ATOM 1466 N TYR A 92 -5.165 17.714 -7.838 1.00 72.23 N ATOM 1467 CA TYR A 92 -4.213 18.503 -7.080 1.00 13.20 C ATOM 1468 C TYR A 92 -4.738 19.919 -6.851 1.00 10.24 C ATOM 1469 O TYR A 92 -4.041 20.764 -6.288 1.00 24.32 O ATOM 1470 CB TYR A 92 -2.886 18.589 -7.835 1.00 41.21 C ATOM 1471 CG TYR A 92 -2.478 17.223 -8.354 1.00 42.22 C ATOM 1472 CD1 TYR A 92 -2.558 16.089 -7.528 1.00 52.12 C ATOM 1473 CD2 TYR A 92 -2.006 17.094 -9.667 1.00 15.23 C ATOM 1474 CE1 TYR A 92 -2.168 14.838 -8.018 1.00 45.31 C ATOM 1475 CE2 TYR A 92 -1.616 15.842 -10.154 1.00 44.32 C ATOM 1476 CZ TYR A 92 -1.696 14.716 -9.329 1.00 34.02 C ATOM 1477 OH TYR A 92 -1.309 13.483 -9.809 1.00 33.51 O ATOM 0 H TYR A 92 -5.396 16.818 -7.409 1.00 72.23 H new ATOM 0 HA TYR A 92 -4.066 18.015 -6.117 1.00 13.20 H new ATOM 0 HB2 TYR A 92 -2.979 19.287 -8.667 1.00 41.21 H new ATOM 0 HB3 TYR A 92 -2.111 18.980 -7.176 1.00 41.21 H new ATOM 0 HD1 TYR A 92 -2.921 16.183 -6.515 1.00 52.12 H new ATOM 0 HD2 TYR A 92 -1.943 17.963 -10.305 1.00 15.23 H new ATOM 0 HE1 TYR A 92 -2.231 13.966 -7.384 1.00 45.31 H new ATOM 0 HE2 TYR A 92 -1.253 15.745 -11.167 1.00 44.32 H new ATOM 0 HH TYR A 92 -1.139 13.546 -10.772 1.00 33.51 H new ATOM 1487 N LYS A 93 -5.965 20.176 -7.293 1.00 22.31 N ATOM 1488 CA LYS A 93 -6.559 21.496 -7.132 1.00 51.55 C ATOM 1489 C LYS A 93 -7.058 21.662 -5.710 1.00 42.14 C ATOM 1490 O LYS A 93 -6.994 22.749 -5.135 1.00 13.41 O ATOM 1491 CB LYS A 93 -7.723 21.672 -8.109 1.00 71.21 C ATOM 1492 CG LYS A 93 -8.207 23.124 -8.069 1.00 64.03 C ATOM 1493 CD LYS A 93 -9.239 23.353 -9.180 1.00 73.04 C ATOM 1494 CE LYS A 93 -10.507 22.543 -8.891 1.00 51.21 C ATOM 1495 NZ LYS A 93 -11.645 23.113 -9.667 1.00 51.31 N ATOM 0 H LYS A 93 -6.562 19.494 -7.761 1.00 22.31 H new ATOM 0 HA LYS A 93 -5.802 22.252 -7.341 1.00 51.55 H new ATOM 0 HB2 LYS A 93 -7.407 21.410 -9.119 1.00 71.21 H new ATOM 0 HB3 LYS A 93 -8.538 20.998 -7.845 1.00 71.21 H new ATOM 0 HG2 LYS A 93 -8.649 23.344 -7.097 1.00 64.03 H new ATOM 0 HG3 LYS A 93 -7.364 23.803 -8.197 1.00 64.03 H new ATOM 0 HD2 LYS A 93 -9.482 24.413 -9.249 1.00 73.04 H new ATOM 0 HD3 LYS A 93 -8.821 23.059 -10.143 1.00 73.04 H new ATOM 0 HE2 LYS A 93 -10.354 21.498 -9.162 1.00 51.21 H new ATOM 0 HE3 LYS A 93 -10.732 22.566 -7.825 1.00 51.21 H new ATOM 0 HZ1 LYS A 93 -12.507 22.565 -9.472 1.00 51.31 H new ATOM 0 HZ2 LYS A 93 -11.794 24.104 -9.387 1.00 51.31 H new ATOM 0 HZ3 LYS A 93 -11.429 23.069 -10.683 1.00 51.31 H new ATOM 1509 N SER A 94 -7.552 20.568 -5.150 1.00 73.00 N ATOM 1510 CA SER A 94 -8.061 20.581 -3.791 1.00 23.01 C ATOM 1511 C SER A 94 -7.976 19.190 -3.179 1.00 63.33 C ATOM 1512 O SER A 94 -7.948 19.046 -1.957 1.00 12.21 O ATOM 1513 CB SER A 94 -9.513 21.056 -3.783 1.00 22.22 C ATOM 1514 OG SER A 94 -10.248 20.340 -4.767 1.00 61.41 O ATOM 0 H SER A 94 -7.610 19.663 -5.616 1.00 73.00 H new ATOM 0 HA SER A 94 -7.453 21.265 -3.199 1.00 23.01 H new ATOM 0 HB2 SER A 94 -9.953 20.899 -2.798 1.00 22.22 H new ATOM 0 HB3 SER A 94 -9.559 22.126 -3.986 1.00 22.22 H new ATOM 0 HG SER A 94 -10.148 19.377 -4.614 1.00 61.41 H new ATOM 1520 N TYR A 95 -7.948 18.159 -4.026 1.00 21.41 N ATOM 1521 CA TYR A 95 -7.885 16.800 -3.518 1.00 74.45 C ATOM 1522 C TYR A 95 -7.544 15.781 -4.606 1.00 73.30 C ATOM 1523 O TYR A 95 -7.586 16.066 -5.815 1.00 21.12 O ATOM 1524 CB TYR A 95 -9.234 16.434 -2.909 1.00 12.22 C ATOM 1525 CG TYR A 95 -10.281 16.466 -3.996 1.00 4.10 C ATOM 1526 CD1 TYR A 95 -10.434 15.369 -4.852 1.00 4.13 C ATOM 1527 CD2 TYR A 95 -11.093 17.596 -4.154 1.00 42.22 C ATOM 1528 CE1 TYR A 95 -11.398 15.402 -5.867 1.00 30.41 C ATOM 1529 CE2 TYR A 95 -12.058 17.628 -5.168 1.00 41.31 C ATOM 1530 CZ TYR A 95 -12.210 16.531 -6.024 1.00 32.24 C ATOM 1531 OH TYR A 95 -13.160 16.564 -7.025 1.00 14.31 O ATOM 0 H TYR A 95 -7.968 18.241 -5.042 1.00 21.41 H new ATOM 0 HA TYR A 95 -7.091 16.767 -2.772 1.00 74.45 H new ATOM 0 HB2 TYR A 95 -9.188 15.443 -2.458 1.00 12.22 H new ATOM 0 HB3 TYR A 95 -9.492 17.134 -2.115 1.00 12.22 H new ATOM 0 HD1 TYR A 95 -9.808 14.497 -4.730 1.00 4.13 H new ATOM 0 HD2 TYR A 95 -10.975 18.443 -3.494 1.00 42.22 H new ATOM 0 HE1 TYR A 95 -11.515 14.556 -6.529 1.00 30.41 H new ATOM 0 HE2 TYR A 95 -12.685 18.499 -5.290 1.00 41.31 H new ATOM 0 HH TYR A 95 -13.638 17.419 -6.995 1.00 14.31 H new ATOM 1541 N ALA A 96 -7.216 14.576 -4.150 1.00 52.13 N ATOM 1542 CA ALA A 96 -6.887 13.477 -5.044 1.00 33.31 C ATOM 1543 C ALA A 96 -7.417 12.177 -4.444 1.00 51.34 C ATOM 1544 O ALA A 96 -7.264 11.933 -3.247 1.00 74.13 O ATOM 1545 CB ALA A 96 -5.368 13.388 -5.249 1.00 55.32 C ATOM 0 H ALA A 96 -7.172 14.338 -3.159 1.00 52.13 H new ATOM 0 HA ALA A 96 -7.350 13.648 -6.016 1.00 33.31 H new ATOM 0 HB1 ALA A 96 -5.139 12.560 -5.920 1.00 55.32 H new ATOM 0 HB2 ALA A 96 -5.004 14.319 -5.684 1.00 55.32 H new ATOM 0 HB3 ALA A 96 -4.880 13.221 -4.289 1.00 55.32 H new ATOM 1551 N VAL A 97 -8.032 11.343 -5.278 1.00 72.44 N ATOM 1552 CA VAL A 97 -8.572 10.059 -4.812 1.00 13.52 C ATOM 1553 C VAL A 97 -7.812 8.951 -5.505 1.00 72.53 C ATOM 1554 O VAL A 97 -7.698 8.959 -6.728 1.00 70.24 O ATOM 1555 CB VAL A 97 -10.070 9.955 -5.134 1.00 62.23 C ATOM 1556 CG1 VAL A 97 -10.731 8.941 -4.195 1.00 23.52 C ATOM 1557 CG2 VAL A 97 -10.728 11.324 -4.944 1.00 63.21 C ATOM 0 H VAL A 97 -8.171 11.526 -6.272 1.00 72.44 H new ATOM 0 HA VAL A 97 -8.457 9.978 -3.731 1.00 13.52 H new ATOM 0 HB VAL A 97 -10.194 9.628 -6.166 1.00 62.23 H new ATOM 0 HG11 VAL A 97 -11.794 8.870 -4.426 1.00 23.52 H new ATOM 0 HG12 VAL A 97 -10.265 7.965 -4.327 1.00 23.52 H new ATOM 0 HG13 VAL A 97 -10.606 9.266 -3.162 1.00 23.52 H new ATOM 0 HG21 VAL A 97 -11.791 11.251 -5.172 1.00 63.21 H new ATOM 0 HG22 VAL A 97 -10.600 11.649 -3.912 1.00 63.21 H new ATOM 0 HG23 VAL A 97 -10.262 12.048 -5.613 1.00 63.21 H new ATOM 1567 N ILE A 98 -7.230 8.034 -4.742 1.00 33.53 N ATOM 1568 CA ILE A 98 -6.421 6.979 -5.330 1.00 24.44 C ATOM 1569 C ILE A 98 -6.824 5.598 -4.820 1.00 43.24 C ATOM 1570 O ILE A 98 -7.219 5.437 -3.666 1.00 11.30 O ATOM 1571 CB ILE A 98 -4.983 7.283 -4.931 1.00 61.12 C ATOM 1572 CG1 ILE A 98 -4.060 6.105 -5.219 1.00 24.14 C ATOM 1573 CG2 ILE A 98 -4.945 7.582 -3.435 1.00 14.43 C ATOM 1574 CD1 ILE A 98 -2.609 6.554 -5.034 1.00 65.13 C ATOM 0 H ILE A 98 -7.303 8.001 -3.725 1.00 33.53 H new ATOM 0 HA ILE A 98 -6.555 6.957 -6.412 1.00 24.44 H new ATOM 0 HB ILE A 98 -4.638 8.137 -5.513 1.00 61.12 H new ATOM 0 HG12 ILE A 98 -4.286 5.276 -4.548 1.00 24.14 H new ATOM 0 HG13 ILE A 98 -4.216 5.744 -6.236 1.00 24.14 H new ATOM 0 HG21 ILE A 98 -3.921 7.802 -3.134 1.00 14.43 H new ATOM 0 HG22 ILE A 98 -5.579 8.442 -3.220 1.00 14.43 H new ATOM 0 HG23 ILE A 98 -5.308 6.716 -2.882 1.00 14.43 H new ATOM 0 HD11 ILE A 98 -1.940 5.718 -5.238 1.00 65.13 H new ATOM 0 HD12 ILE A 98 -2.390 7.370 -5.723 1.00 65.13 H new ATOM 0 HD13 ILE A 98 -2.461 6.895 -4.009 1.00 65.13 H new ATOM 1586 N TYR A 99 -6.706 4.605 -5.695 1.00 42.22 N ATOM 1587 CA TYR A 99 -7.045 3.231 -5.339 1.00 30.30 C ATOM 1588 C TYR A 99 -5.780 2.470 -4.945 1.00 44.43 C ATOM 1589 O TYR A 99 -4.955 2.128 -5.793 1.00 15.43 O ATOM 1590 CB TYR A 99 -7.720 2.543 -6.529 1.00 65.05 C ATOM 1591 CG TYR A 99 -8.135 1.144 -6.142 1.00 52.20 C ATOM 1592 CD1 TYR A 99 -9.275 0.947 -5.353 1.00 52.24 C ATOM 1593 CD2 TYR A 99 -7.388 0.043 -6.579 1.00 20.23 C ATOM 1594 CE1 TYR A 99 -9.667 -0.350 -4.999 1.00 13.24 C ATOM 1595 CE2 TYR A 99 -7.779 -1.254 -6.224 1.00 53.13 C ATOM 1596 CZ TYR A 99 -8.919 -1.450 -5.435 1.00 44.45 C ATOM 1597 OH TYR A 99 -9.305 -2.728 -5.088 1.00 54.12 O ATOM 0 H TYR A 99 -6.379 4.725 -6.654 1.00 42.22 H new ATOM 0 HA TYR A 99 -7.732 3.237 -4.493 1.00 30.30 H new ATOM 0 HB2 TYR A 99 -8.591 3.116 -6.846 1.00 65.05 H new ATOM 0 HB3 TYR A 99 -7.036 2.508 -7.377 1.00 65.05 H new ATOM 0 HD1 TYR A 99 -9.852 1.796 -5.017 1.00 52.24 H new ATOM 0 HD2 TYR A 99 -6.510 0.194 -7.190 1.00 20.23 H new ATOM 0 HE1 TYR A 99 -10.546 -0.501 -4.390 1.00 13.24 H new ATOM 0 HE2 TYR A 99 -7.201 -2.103 -6.559 1.00 53.13 H new ATOM 0 HH TYR A 99 -9.033 -3.354 -5.791 1.00 54.12 H new ATOM 1607 N ALA A 100 -5.633 2.224 -3.643 1.00 14.23 N ATOM 1608 CA ALA A 100 -4.459 1.518 -3.121 1.00 62.31 C ATOM 1609 C ALA A 100 -4.815 0.096 -2.703 1.00 51.33 C ATOM 1610 O ALA A 100 -5.820 -0.133 -2.029 1.00 2.34 O ATOM 1611 CB ALA A 100 -3.892 2.273 -1.915 1.00 51.00 C ATOM 0 H ALA A 100 -6.309 2.501 -2.931 1.00 14.23 H new ATOM 0 HA ALA A 100 -3.713 1.471 -3.914 1.00 62.31 H new ATOM 0 HB1 ALA A 100 -3.020 1.744 -1.531 1.00 51.00 H new ATOM 0 HB2 ALA A 100 -3.601 3.279 -2.219 1.00 51.00 H new ATOM 0 HB3 ALA A 100 -4.651 2.335 -1.135 1.00 51.00 H new ATOM 1617 N THR A 101 -3.976 -0.856 -3.102 1.00 10.21 N ATOM 1618 CA THR A 101 -4.198 -2.260 -2.759 1.00 62.12 C ATOM 1619 C THR A 101 -2.874 -2.979 -2.523 1.00 40.43 C ATOM 1620 O THR A 101 -1.916 -2.813 -3.279 1.00 73.41 O ATOM 1621 CB THR A 101 -4.975 -2.962 -3.879 1.00 65.14 C ATOM 1622 OG1 THR A 101 -4.586 -4.329 -3.940 1.00 33.41 O ATOM 1623 CG2 THR A 101 -4.676 -2.288 -5.218 1.00 51.42 C ATOM 0 H THR A 101 -3.140 -0.684 -3.660 1.00 10.21 H new ATOM 0 HA THR A 101 -4.781 -2.295 -1.839 1.00 62.12 H new ATOM 0 HB THR A 101 -6.043 -2.894 -3.673 1.00 65.14 H new ATOM 0 HG1 THR A 101 -4.957 -4.809 -3.171 1.00 33.41 H new ATOM 0 HG21 THR A 101 -5.231 -2.791 -6.010 1.00 51.42 H new ATOM 0 HG22 THR A 101 -4.976 -1.241 -5.173 1.00 51.42 H new ATOM 0 HG23 THR A 101 -3.608 -2.351 -5.427 1.00 51.42 H new ATOM 1631 N ARG A 102 -2.841 -3.786 -1.470 1.00 74.42 N ATOM 1632 CA ARG A 102 -1.647 -4.558 -1.115 1.00 0.04 C ATOM 1633 C ARG A 102 -2.013 -6.030 -1.037 1.00 11.11 C ATOM 1634 O ARG A 102 -3.028 -6.378 -0.439 1.00 62.44 O ATOM 1635 CB ARG A 102 -1.105 -4.092 0.242 1.00 52.14 C ATOM 1636 CG ARG A 102 0.223 -4.800 0.546 1.00 21.50 C ATOM 1637 CD ARG A 102 0.550 -4.669 2.037 1.00 61.15 C ATOM 1638 NE ARG A 102 1.706 -5.493 2.374 1.00 50.41 N ATOM 1639 CZ ARG A 102 2.920 -5.196 1.922 1.00 63.32 C ATOM 1640 NH1 ARG A 102 3.098 -4.149 1.165 1.00 34.10 N ATOM 1641 NH2 ARG A 102 3.936 -5.952 2.238 1.00 0.53 N ATOM 0 H ARG A 102 -3.631 -3.926 -0.840 1.00 74.42 H new ATOM 0 HA ARG A 102 -0.879 -4.407 -1.874 1.00 0.04 H new ATOM 0 HB2 ARG A 102 -0.957 -3.012 0.233 1.00 52.14 H new ATOM 0 HB3 ARG A 102 -1.830 -4.308 1.027 1.00 52.14 H new ATOM 0 HG2 ARG A 102 0.156 -5.852 0.270 1.00 21.50 H new ATOM 0 HG3 ARG A 102 1.024 -4.364 -0.051 1.00 21.50 H new ATOM 0 HD2 ARG A 102 0.754 -3.627 2.282 1.00 61.15 H new ATOM 0 HD3 ARG A 102 -0.310 -4.974 2.633 1.00 61.15 H new ATOM 0 HE ARG A 102 1.580 -6.313 2.968 1.00 50.41 H new ATOM 0 HH11 ARG A 102 2.305 -3.557 0.919 1.00 34.10 H new ATOM 0 HH12 ARG A 102 4.030 -3.922 0.819 1.00 34.10 H new ATOM 0 HH21 ARG A 102 3.798 -6.770 2.831 1.00 0.53 H new ATOM 0 HH22 ARG A 102 4.868 -5.725 1.891 1.00 0.53 H new ATOM 1655 N VAL A 103 -1.214 -6.908 -1.649 1.00 33.24 N ATOM 1656 CA VAL A 103 -1.529 -8.337 -1.624 1.00 34.25 C ATOM 1657 C VAL A 103 -0.400 -9.132 -0.985 1.00 1.42 C ATOM 1658 O VAL A 103 0.729 -9.137 -1.476 1.00 43.00 O ATOM 1659 CB VAL A 103 -1.768 -8.835 -3.054 1.00 11.35 C ATOM 1660 CG1 VAL A 103 -0.519 -8.591 -3.909 1.00 12.02 C ATOM 1661 CG2 VAL A 103 -2.089 -10.333 -3.032 1.00 20.31 C ATOM 0 H VAL A 103 -0.364 -6.662 -2.156 1.00 33.24 H new ATOM 0 HA VAL A 103 -2.430 -8.482 -1.028 1.00 34.25 H new ATOM 0 HB VAL A 103 -2.608 -8.290 -3.484 1.00 11.35 H new ATOM 0 HG11 VAL A 103 -0.697 -8.948 -4.923 1.00 12.02 H new ATOM 0 HG12 VAL A 103 -0.297 -7.524 -3.933 1.00 12.02 H new ATOM 0 HG13 VAL A 103 0.327 -9.128 -3.479 1.00 12.02 H new ATOM 0 HG21 VAL A 103 -2.258 -10.684 -4.050 1.00 20.31 H new ATOM 0 HG22 VAL A 103 -1.252 -10.878 -2.595 1.00 20.31 H new ATOM 0 HG23 VAL A 103 -2.985 -10.504 -2.435 1.00 20.31 H new ATOM 1671 N LYS A 104 -0.716 -9.809 0.115 1.00 63.44 N ATOM 1672 CA LYS A 104 0.260 -10.620 0.826 1.00 12.14 C ATOM 1673 C LYS A 104 0.052 -12.081 0.463 1.00 23.50 C ATOM 1674 O LYS A 104 -0.942 -12.432 -0.172 1.00 0.51 O ATOM 1675 CB LYS A 104 0.097 -10.425 2.339 1.00 34.44 C ATOM 1676 CG LYS A 104 1.351 -10.923 3.071 1.00 31.22 C ATOM 1677 CD LYS A 104 1.301 -10.498 4.548 1.00 15.11 C ATOM 1678 CE LYS A 104 1.863 -9.081 4.709 1.00 64.23 C ATOM 1679 NZ LYS A 104 1.899 -8.724 6.155 1.00 24.35 N ATOM 0 H LYS A 104 -1.646 -9.810 0.533 1.00 63.44 H new ATOM 0 HA LYS A 104 1.267 -10.315 0.541 1.00 12.14 H new ATOM 0 HB2 LYS A 104 -0.070 -9.371 2.562 1.00 34.44 H new ATOM 0 HB3 LYS A 104 -0.780 -10.968 2.692 1.00 34.44 H new ATOM 0 HG2 LYS A 104 1.418 -12.009 2.998 1.00 31.22 H new ATOM 0 HG3 LYS A 104 2.244 -10.516 2.597 1.00 31.22 H new ATOM 0 HD2 LYS A 104 0.273 -10.533 4.910 1.00 15.11 H new ATOM 0 HD3 LYS A 104 1.877 -11.197 5.155 1.00 15.11 H new ATOM 0 HE2 LYS A 104 2.865 -9.025 4.284 1.00 64.23 H new ATOM 0 HE3 LYS A 104 1.245 -8.369 4.163 1.00 64.23 H new ATOM 0 HZ1 LYS A 104 2.280 -7.763 6.266 1.00 24.35 H new ATOM 0 HZ2 LYS A 104 0.936 -8.762 6.546 1.00 24.35 H new ATOM 0 HZ3 LYS A 104 2.506 -9.398 6.664 1.00 24.35 H new ATOM 1693 N ASP A 105 0.990 -12.929 0.851 1.00 70.32 N ATOM 1694 CA ASP A 105 0.879 -14.342 0.533 1.00 14.22 C ATOM 1695 C ASP A 105 -0.418 -14.920 1.092 1.00 14.23 C ATOM 1696 O ASP A 105 -0.572 -15.086 2.302 1.00 31.32 O ATOM 1697 CB ASP A 105 2.072 -15.102 1.116 1.00 60.24 C ATOM 1698 CG ASP A 105 2.010 -16.568 0.701 1.00 75.41 C ATOM 1699 OD1 ASP A 105 1.067 -16.929 0.016 1.00 33.33 O ATOM 1700 OD2 ASP A 105 2.906 -17.307 1.073 1.00 4.44 O ATOM 0 H ASP A 105 1.824 -12.669 1.378 1.00 70.32 H new ATOM 0 HA ASP A 105 0.872 -14.451 -0.552 1.00 14.22 H new ATOM 0 HB2 ASP A 105 3.003 -14.656 0.767 1.00 60.24 H new ATOM 0 HB3 ASP A 105 2.068 -15.023 2.203 1.00 60.24 H new ATOM 1705 N GLY A 106 -1.333 -15.258 0.186 1.00 13.15 N ATOM 1706 CA GLY A 106 -2.607 -15.862 0.570 1.00 73.44 C ATOM 1707 C GLY A 106 -3.681 -14.830 0.918 1.00 33.33 C ATOM 1708 O GLY A 106 -4.825 -15.201 1.179 1.00 50.05 O ATOM 0 H GLY A 106 -1.216 -15.124 -0.818 1.00 13.15 H new ATOM 0 HA2 GLY A 106 -2.965 -16.489 -0.246 1.00 73.44 H new ATOM 0 HA3 GLY A 106 -2.448 -16.515 1.428 1.00 73.44 H new ATOM 1712 N ARG A 107 -3.326 -13.544 0.945 1.00 61.34 N ATOM 1713 CA ARG A 107 -4.308 -12.508 1.291 1.00 32.10 C ATOM 1714 C ARG A 107 -4.234 -11.305 0.353 1.00 31.24 C ATOM 1715 O ARG A 107 -3.152 -10.875 -0.048 1.00 53.22 O ATOM 1716 CB ARG A 107 -4.075 -12.042 2.730 1.00 43.32 C ATOM 1717 CG ARG A 107 -4.286 -13.217 3.687 1.00 74.41 C ATOM 1718 CD ARG A 107 -4.352 -12.705 5.127 1.00 21.00 C ATOM 1719 NE ARG A 107 -3.134 -11.970 5.462 1.00 72.23 N ATOM 1720 CZ ARG A 107 -3.056 -10.647 5.323 1.00 10.22 C ATOM 1721 NH1 ARG A 107 -4.074 -9.970 4.867 1.00 3.11 N ATOM 1722 NH2 ARG A 107 -1.954 -10.023 5.642 1.00 13.14 N ATOM 0 H ARG A 107 -2.389 -13.198 0.737 1.00 61.34 H new ATOM 0 HA ARG A 107 -5.299 -12.949 1.188 1.00 32.10 H new ATOM 0 HB2 ARG A 107 -3.064 -11.649 2.837 1.00 43.32 H new ATOM 0 HB3 ARG A 107 -4.760 -11.231 2.976 1.00 43.32 H new ATOM 0 HG2 ARG A 107 -5.207 -13.742 3.435 1.00 74.41 H new ATOM 0 HG3 ARG A 107 -3.472 -13.934 3.583 1.00 74.41 H new ATOM 0 HD2 ARG A 107 -5.220 -12.058 5.250 1.00 21.00 H new ATOM 0 HD3 ARG A 107 -4.479 -13.543 5.812 1.00 21.00 H new ATOM 0 HE ARG A 107 -2.324 -12.482 5.811 1.00 72.23 H new ATOM 0 HH11 ARG A 107 -4.936 -10.453 4.615 1.00 3.11 H new ATOM 0 HH12 ARG A 107 -4.008 -8.957 4.763 1.00 3.11 H new ATOM 0 HH21 ARG A 107 -1.155 -10.548 5.997 1.00 13.14 H new ATOM 0 HH22 ARG A 107 -1.892 -9.010 5.536 1.00 13.14 H new ATOM 1736 N THR A 108 -5.409 -10.758 0.031 1.00 44.21 N ATOM 1737 CA THR A 108 -5.516 -9.585 -0.840 1.00 51.51 C ATOM 1738 C THR A 108 -6.123 -8.426 -0.055 1.00 31.44 C ATOM 1739 O THR A 108 -6.816 -8.647 0.938 1.00 64.10 O ATOM 1740 CB THR A 108 -6.400 -9.909 -2.048 1.00 3.05 C ATOM 1741 OG1 THR A 108 -5.886 -11.054 -2.714 1.00 63.31 O ATOM 1742 CG2 THR A 108 -6.412 -8.719 -3.008 1.00 74.04 C ATOM 0 H THR A 108 -6.306 -11.112 0.363 1.00 44.21 H new ATOM 0 HA THR A 108 -4.523 -9.307 -1.193 1.00 51.51 H new ATOM 0 HB THR A 108 -7.417 -10.110 -1.712 1.00 3.05 H new ATOM 0 HG1 THR A 108 -6.451 -11.264 -3.487 1.00 63.31 H new ATOM 0 HG21 THR A 108 -7.041 -8.951 -3.867 1.00 74.04 H new ATOM 0 HG22 THR A 108 -6.807 -7.842 -2.495 1.00 74.04 H new ATOM 0 HG23 THR A 108 -5.396 -8.515 -3.347 1.00 74.04 H new ATOM 1750 N LEU A 109 -5.857 -7.192 -0.482 1.00 32.24 N ATOM 1751 CA LEU A 109 -6.392 -6.032 0.234 1.00 43.31 C ATOM 1752 C LEU A 109 -6.628 -4.850 -0.681 1.00 74.01 C ATOM 1753 O LEU A 109 -5.915 -4.647 -1.665 1.00 63.20 O ATOM 1754 CB LEU A 109 -5.412 -5.600 1.318 1.00 62.54 C ATOM 1755 CG LEU A 109 -5.993 -4.465 2.169 1.00 51.30 C ATOM 1756 CD1 LEU A 109 -7.261 -4.936 2.897 1.00 75.30 C ATOM 1757 CD2 LEU A 109 -4.939 -4.045 3.192 1.00 33.50 C ATOM 0 H LEU A 109 -5.289 -6.971 -1.300 1.00 32.24 H new ATOM 0 HA LEU A 109 -7.347 -6.337 0.662 1.00 43.31 H new ATOM 0 HB2 LEU A 109 -5.173 -6.451 1.956 1.00 62.54 H new ATOM 0 HB3 LEU A 109 -4.479 -5.273 0.859 1.00 62.54 H new ATOM 0 HG LEU A 109 -6.258 -3.624 1.528 1.00 51.30 H new ATOM 0 HD11 LEU A 109 -7.661 -4.119 3.497 1.00 75.30 H new ATOM 0 HD12 LEU A 109 -8.006 -5.248 2.165 1.00 75.30 H new ATOM 0 HD13 LEU A 109 -7.017 -5.777 3.546 1.00 75.30 H new ATOM 0 HD21 LEU A 109 -5.332 -3.237 3.809 1.00 33.50 H new ATOM 0 HD22 LEU A 109 -4.687 -4.896 3.825 1.00 33.50 H new ATOM 0 HD23 LEU A 109 -4.044 -3.702 2.673 1.00 33.50 H new ATOM 1769 N HIS A 110 -7.613 -4.048 -0.305 1.00 5.55 N ATOM 1770 CA HIS A 110 -7.935 -2.846 -1.047 1.00 51.43 C ATOM 1771 C HIS A 110 -8.256 -1.715 -0.074 1.00 72.13 C ATOM 1772 O HIS A 110 -8.863 -1.947 0.972 1.00 42.32 O ATOM 1773 CB HIS A 110 -9.120 -3.095 -1.983 1.00 64.03 C ATOM 1774 CG HIS A 110 -9.004 -4.471 -2.581 1.00 42.45 C ATOM 1775 ND1 HIS A 110 -9.627 -5.574 -2.020 1.00 33.35 N ATOM 1776 CD2 HIS A 110 -8.342 -4.937 -3.689 1.00 54.02 C ATOM 1777 CE1 HIS A 110 -9.329 -6.640 -2.785 1.00 31.11 C ATOM 1778 NE2 HIS A 110 -8.548 -6.308 -3.816 1.00 22.10 N ATOM 0 H HIS A 110 -8.202 -4.211 0.512 1.00 5.55 H new ATOM 0 HA HIS A 110 -7.075 -2.563 -1.654 1.00 51.43 H new ATOM 0 HB2 HIS A 110 -10.057 -3.003 -1.434 1.00 64.03 H new ATOM 0 HB3 HIS A 110 -9.138 -2.344 -2.772 1.00 64.03 H new ATOM 0 HD2 HIS A 110 -7.751 -4.332 -4.361 1.00 54.02 H new ATOM 0 HE1 HIS A 110 -9.679 -7.643 -2.589 1.00 31.11 H new ATOM 0 HE2 HIS A 110 -8.181 -6.926 -4.540 1.00 22.10 H new ATOM 1786 N MET A 111 -7.857 -0.491 -0.415 1.00 32.11 N ATOM 1787 CA MET A 111 -8.124 0.654 0.449 1.00 23.14 C ATOM 1788 C MET A 111 -8.103 1.950 -0.365 1.00 31.31 C ATOM 1789 O MET A 111 -7.395 2.051 -1.367 1.00 64.53 O ATOM 1790 CB MET A 111 -7.085 0.721 1.577 1.00 62.50 C ATOM 1791 CG MET A 111 -5.724 0.249 1.059 1.00 65.01 C ATOM 1792 SD MET A 111 -4.503 0.365 2.391 1.00 35.14 S ATOM 1793 CE MET A 111 -3.883 2.018 1.995 1.00 3.04 C ATOM 0 H MET A 111 -7.353 -0.269 -1.274 1.00 32.11 H new ATOM 0 HA MET A 111 -9.114 0.534 0.890 1.00 23.14 H new ATOM 0 HB2 MET A 111 -7.007 1.742 1.952 1.00 62.50 H new ATOM 0 HB3 MET A 111 -7.402 0.098 2.413 1.00 62.50 H new ATOM 0 HG2 MET A 111 -5.794 -0.779 0.703 1.00 65.01 H new ATOM 0 HG3 MET A 111 -5.413 0.859 0.211 1.00 65.01 H new ATOM 0 HE1 MET A 111 -2.935 2.183 2.506 1.00 3.04 H new ATOM 0 HE2 MET A 111 -3.734 2.103 0.918 1.00 3.04 H new ATOM 0 HE3 MET A 111 -4.606 2.766 2.321 1.00 3.04 H new ATOM 1803 N MET A 112 -8.876 2.938 0.078 1.00 43.15 N ATOM 1804 CA MET A 112 -8.940 4.232 -0.609 1.00 44.31 C ATOM 1805 C MET A 112 -8.298 5.317 0.255 1.00 65.34 C ATOM 1806 O MET A 112 -8.400 5.279 1.481 1.00 35.42 O ATOM 1807 CB MET A 112 -10.402 4.593 -0.889 1.00 33.34 C ATOM 1808 CG MET A 112 -10.471 5.730 -1.908 1.00 72.23 C ATOM 1809 SD MET A 112 -10.168 5.069 -3.569 1.00 71.13 S ATOM 1810 CE MET A 112 -11.874 5.138 -4.172 1.00 71.15 C ATOM 0 H MET A 112 -9.467 2.871 0.907 1.00 43.15 H new ATOM 0 HA MET A 112 -8.397 4.162 -1.551 1.00 44.31 H new ATOM 0 HB2 MET A 112 -10.935 3.721 -1.268 1.00 33.34 H new ATOM 0 HB3 MET A 112 -10.896 4.891 0.036 1.00 33.34 H new ATOM 0 HG2 MET A 112 -11.449 6.210 -1.868 1.00 72.23 H new ATOM 0 HG3 MET A 112 -9.731 6.494 -1.668 1.00 72.23 H new ATOM 0 HE1 MET A 112 -11.991 4.453 -5.011 1.00 71.15 H new ATOM 0 HE2 MET A 112 -12.555 4.850 -3.371 1.00 71.15 H new ATOM 0 HE3 MET A 112 -12.104 6.153 -4.497 1.00 71.15 H new ATOM 1820 N ARG A 113 -7.635 6.283 -0.386 1.00 72.31 N ATOM 1821 CA ARG A 113 -6.980 7.370 0.350 1.00 74.31 C ATOM 1822 C ARG A 113 -7.338 8.732 -0.237 1.00 45.20 C ATOM 1823 O ARG A 113 -7.287 8.931 -1.451 1.00 50.24 O ATOM 1824 CB ARG A 113 -5.463 7.180 0.328 1.00 21.21 C ATOM 1825 CG ARG A 113 -5.089 5.982 1.203 1.00 30.34 C ATOM 1826 CD ARG A 113 -3.592 5.701 1.066 1.00 72.50 C ATOM 1827 NE ARG A 113 -3.154 4.781 2.111 1.00 40.45 N ATOM 1828 CZ ARG A 113 -3.096 5.163 3.382 1.00 21.02 C ATOM 1829 NH1 ARG A 113 -3.432 6.379 3.715 1.00 14.40 N ATOM 1830 NH2 ARG A 113 -2.701 4.321 4.298 1.00 74.45 N ATOM 0 H ARG A 113 -7.537 6.336 -1.400 1.00 72.31 H new ATOM 0 HA ARG A 113 -7.336 7.339 1.380 1.00 74.31 H new ATOM 0 HB2 ARG A 113 -5.120 7.019 -0.694 1.00 21.21 H new ATOM 0 HB3 ARG A 113 -4.967 8.080 0.693 1.00 21.21 H new ATOM 0 HG2 ARG A 113 -5.338 6.186 2.244 1.00 30.34 H new ATOM 0 HG3 ARG A 113 -5.664 5.105 0.904 1.00 30.34 H new ATOM 0 HD2 ARG A 113 -3.383 5.275 0.085 1.00 72.50 H new ATOM 0 HD3 ARG A 113 -3.032 6.634 1.134 1.00 72.50 H new ATOM 0 HE ARG A 113 -2.888 3.829 1.861 1.00 40.45 H new ATOM 0 HH11 ARG A 113 -3.740 7.037 2.999 1.00 14.40 H new ATOM 0 HH12 ARG A 113 -3.387 6.671 4.691 1.00 14.40 H new ATOM 0 HH21 ARG A 113 -2.437 3.371 4.038 1.00 74.45 H new ATOM 0 HH22 ARG A 113 -2.656 4.613 5.274 1.00 74.45 H new ATOM 1844 N LEU A 114 -7.700 9.668 0.643 1.00 61.04 N ATOM 1845 CA LEU A 114 -8.068 11.020 0.227 1.00 14.24 C ATOM 1846 C LEU A 114 -6.969 12.008 0.585 1.00 31.42 C ATOM 1847 O LEU A 114 -6.541 12.092 1.751 1.00 44.40 O ATOM 1848 CB LEU A 114 -9.361 11.452 0.921 1.00 14.30 C ATOM 1849 CG LEU A 114 -9.709 12.903 0.539 1.00 15.14 C ATOM 1850 CD1 LEU A 114 -10.047 12.985 -0.956 1.00 31.15 C ATOM 1851 CD2 LEU A 114 -10.906 13.373 1.373 1.00 4.03 C ATOM 0 H LEU A 114 -7.746 9.512 1.650 1.00 61.04 H new ATOM 0 HA LEU A 114 -8.211 11.012 -0.853 1.00 14.24 H new ATOM 0 HB2 LEU A 114 -10.176 10.787 0.635 1.00 14.30 H new ATOM 0 HB3 LEU A 114 -9.247 11.370 2.002 1.00 14.30 H new ATOM 0 HG LEU A 114 -8.852 13.546 0.740 1.00 15.14 H new ATOM 0 HD11 LEU A 114 -10.292 14.014 -1.218 1.00 31.15 H new ATOM 0 HD12 LEU A 114 -9.189 12.656 -1.542 1.00 31.15 H new ATOM 0 HD13 LEU A 114 -10.901 12.343 -1.172 1.00 31.15 H new ATOM 0 HD21 LEU A 114 -11.155 14.400 1.105 1.00 4.03 H new ATOM 0 HD22 LEU A 114 -11.763 12.728 1.176 1.00 4.03 H new ATOM 0 HD23 LEU A 114 -10.653 13.325 2.432 1.00 4.03 H new ATOM 1863 N TYR A 115 -6.523 12.743 -0.437 1.00 63.52 N ATOM 1864 CA TYR A 115 -5.469 13.737 -0.285 1.00 21.22 C ATOM 1865 C TYR A 115 -6.031 15.154 -0.326 1.00 10.04 C ATOM 1866 O TYR A 115 -7.115 15.393 -0.861 1.00 23.43 O ATOM 1867 CB TYR A 115 -4.456 13.601 -1.427 1.00 1.41 C ATOM 1868 CG TYR A 115 -3.635 12.347 -1.261 1.00 3.33 C ATOM 1869 CD1 TYR A 115 -4.252 11.091 -1.307 1.00 32.21 C ATOM 1870 CD2 TYR A 115 -2.251 12.439 -1.062 1.00 4.12 C ATOM 1871 CE1 TYR A 115 -3.488 9.933 -1.150 1.00 64.53 C ATOM 1872 CE2 TYR A 115 -1.489 11.280 -0.910 1.00 25.53 C ATOM 1873 CZ TYR A 115 -2.107 10.028 -0.952 1.00 51.04 C ATOM 1874 OH TYR A 115 -1.359 8.889 -0.780 1.00 14.15 O ATOM 0 H TYR A 115 -6.884 12.663 -1.388 1.00 63.52 H new ATOM 0 HA TYR A 115 -4.994 13.563 0.680 1.00 21.22 H new ATOM 0 HB2 TYR A 115 -4.979 13.576 -2.383 1.00 1.41 H new ATOM 0 HB3 TYR A 115 -3.801 14.472 -1.445 1.00 1.41 H new ATOM 0 HD1 TYR A 115 -5.318 11.018 -1.464 1.00 32.21 H new ATOM 0 HD2 TYR A 115 -1.774 13.407 -1.026 1.00 4.12 H new ATOM 0 HE1 TYR A 115 -3.964 8.964 -1.181 1.00 64.53 H new ATOM 0 HE2 TYR A 115 -0.422 11.351 -0.760 1.00 25.53 H new ATOM 0 HH TYR A 115 -1.823 8.283 -0.165 1.00 14.15 H new ATOM 1884 N SER A 116 -5.252 16.090 0.215 1.00 74.05 N ATOM 1885 CA SER A 116 -5.619 17.507 0.227 1.00 63.32 C ATOM 1886 C SER A 116 -4.419 18.328 -0.226 1.00 70.03 C ATOM 1887 O SER A 116 -3.293 18.059 0.190 1.00 51.32 O ATOM 1888 CB SER A 116 -6.021 17.941 1.637 1.00 52.55 C ATOM 1889 OG SER A 116 -6.401 19.311 1.613 1.00 71.21 O ATOM 0 H SER A 116 -4.354 15.890 0.655 1.00 74.05 H new ATOM 0 HA SER A 116 -6.463 17.665 -0.444 1.00 63.32 H new ATOM 0 HB2 SER A 116 -6.847 17.328 1.998 1.00 52.55 H new ATOM 0 HB3 SER A 116 -5.190 17.794 2.327 1.00 52.55 H new ATOM 0 HG SER A 116 -6.245 19.709 2.495 1.00 71.21 H new ATOM 1895 N ARG A 117 -4.643 19.324 -1.078 1.00 11.35 N ATOM 1896 CA ARG A 117 -3.541 20.149 -1.558 1.00 33.24 C ATOM 1897 C ARG A 117 -3.050 21.084 -0.459 1.00 50.25 C ATOM 1898 O ARG A 117 -1.940 21.611 -0.530 1.00 21.22 O ATOM 1899 CB ARG A 117 -4.001 20.974 -2.763 1.00 50.51 C ATOM 1900 CG ARG A 117 -2.783 21.515 -3.527 1.00 33.11 C ATOM 1901 CD ARG A 117 -2.016 20.366 -4.204 1.00 64.31 C ATOM 1902 NE ARG A 117 -0.921 19.920 -3.351 1.00 40.24 N ATOM 1903 CZ ARG A 117 0.156 20.675 -3.162 1.00 21.21 C ATOM 1904 NH1 ARG A 117 0.246 21.839 -3.745 1.00 55.52 N ATOM 1905 NH2 ARG A 117 1.123 20.253 -2.395 1.00 15.21 N ATOM 0 H ARG A 117 -5.561 19.576 -1.445 1.00 11.35 H new ATOM 0 HA ARG A 117 -2.721 19.494 -1.852 1.00 33.24 H new ATOM 0 HB2 ARG A 117 -4.611 20.358 -3.424 1.00 50.51 H new ATOM 0 HB3 ARG A 117 -4.628 21.801 -2.430 1.00 50.51 H new ATOM 0 HG2 ARG A 117 -3.108 22.235 -4.278 1.00 33.11 H new ATOM 0 HG3 ARG A 117 -2.123 22.046 -2.841 1.00 33.11 H new ATOM 0 HD2 ARG A 117 -2.693 19.535 -4.404 1.00 64.31 H new ATOM 0 HD3 ARG A 117 -1.625 20.697 -5.166 1.00 64.31 H new ATOM 0 HE ARG A 117 -0.983 19.012 -2.891 1.00 40.24 H new ATOM 0 HH11 ARG A 117 -0.510 22.169 -4.345 1.00 55.52 H new ATOM 0 HH12 ARG A 117 1.072 22.419 -3.600 1.00 55.52 H new ATOM 0 HH21 ARG A 117 1.053 19.343 -1.940 1.00 15.21 H new ATOM 0 HH22 ARG A 117 1.949 20.833 -2.250 1.00 15.21 H new ATOM 1919 N SER A 118 -3.886 21.287 0.554 1.00 74.34 N ATOM 1920 CA SER A 118 -3.534 22.166 1.666 1.00 64.21 C ATOM 1921 C SER A 118 -4.003 21.561 2.991 1.00 53.13 C ATOM 1922 O SER A 118 -5.052 20.918 3.043 1.00 61.44 O ATOM 1923 CB SER A 118 -4.195 23.530 1.464 1.00 43.25 C ATOM 1924 OG SER A 118 -3.984 24.336 2.616 1.00 11.11 O ATOM 0 H SER A 118 -4.808 20.858 0.629 1.00 74.34 H new ATOM 0 HA SER A 118 -2.451 22.282 1.697 1.00 64.21 H new ATOM 0 HB2 SER A 118 -3.780 24.020 0.583 1.00 43.25 H new ATOM 0 HB3 SER A 118 -5.263 23.405 1.285 1.00 43.25 H new ATOM 0 HG SER A 118 -4.406 25.211 2.485 1.00 11.11 H new ATOM 1930 N PRO A 119 -3.260 21.753 4.058 1.00 0.43 N ATOM 1931 CA PRO A 119 -3.625 21.216 5.398 1.00 21.24 C ATOM 1932 C PRO A 119 -5.131 21.263 5.657 1.00 71.42 C ATOM 1933 O PRO A 119 -5.649 20.521 6.490 1.00 43.03 O ATOM 1934 CB PRO A 119 -2.873 22.143 6.354 1.00 31.21 C ATOM 1935 CG PRO A 119 -1.648 22.570 5.605 1.00 2.13 C ATOM 1936 CD PRO A 119 -1.988 22.497 4.109 1.00 63.14 C ATOM 0 HA PRO A 119 -3.363 20.164 5.509 1.00 21.24 H new ATOM 0 HB2 PRO A 119 -3.484 23.002 6.632 1.00 31.21 H new ATOM 0 HB3 PRO A 119 -2.610 21.627 7.277 1.00 31.21 H new ATOM 0 HG2 PRO A 119 -1.358 23.583 5.886 1.00 2.13 H new ATOM 0 HG3 PRO A 119 -0.805 21.920 5.841 1.00 2.13 H new ATOM 0 HD2 PRO A 119 -2.092 23.492 3.676 1.00 63.14 H new ATOM 0 HD3 PRO A 119 -1.206 21.986 3.548 1.00 63.14 H new ATOM 1944 N GLU A 120 -5.825 22.139 4.937 1.00 72.12 N ATOM 1945 CA GLU A 120 -7.260 22.274 5.094 1.00 62.41 C ATOM 1946 C GLU A 120 -7.980 21.169 4.337 1.00 62.33 C ATOM 1947 O GLU A 120 -7.432 20.566 3.415 1.00 4.55 O ATOM 1948 CB GLU A 120 -7.717 23.633 4.566 1.00 62.22 C ATOM 1949 CG GLU A 120 -6.784 24.725 5.091 1.00 22.25 C ATOM 1950 CD GLU A 120 -7.320 26.099 4.702 1.00 21.55 C ATOM 1951 OE1 GLU A 120 -8.496 26.188 4.391 1.00 33.55 O ATOM 1952 OE2 GLU A 120 -6.547 27.042 4.722 1.00 20.31 O ATOM 0 H GLU A 120 -5.414 22.762 4.242 1.00 72.12 H new ATOM 0 HA GLU A 120 -7.502 22.196 6.154 1.00 62.41 H new ATOM 0 HB2 GLU A 120 -7.714 23.631 3.476 1.00 62.22 H new ATOM 0 HB3 GLU A 120 -8.741 23.832 4.882 1.00 62.22 H new ATOM 0 HG2 GLU A 120 -6.699 24.652 6.175 1.00 22.25 H new ATOM 0 HG3 GLU A 120 -5.783 24.587 4.683 1.00 22.25 H new ATOM 1959 N VAL A 121 -9.213 20.920 4.740 1.00 43.13 N ATOM 1960 CA VAL A 121 -10.039 19.889 4.110 1.00 34.10 C ATOM 1961 C VAL A 121 -11.276 20.513 3.471 1.00 41.10 C ATOM 1962 O VAL A 121 -12.098 21.125 4.152 1.00 4.10 O ATOM 1963 CB VAL A 121 -10.470 18.859 5.156 1.00 43.22 C ATOM 1964 CG1 VAL A 121 -11.228 17.723 4.470 1.00 1.10 C ATOM 1965 CG2 VAL A 121 -9.232 18.296 5.856 1.00 13.23 C ATOM 0 H VAL A 121 -9.672 21.417 5.504 1.00 43.13 H new ATOM 0 HA VAL A 121 -9.450 19.398 3.335 1.00 34.10 H new ATOM 0 HB VAL A 121 -11.118 19.336 5.891 1.00 43.22 H new ATOM 0 HG11 VAL A 121 -11.535 16.989 5.215 1.00 1.10 H new ATOM 0 HG12 VAL A 121 -12.110 18.124 3.970 1.00 1.10 H new ATOM 0 HG13 VAL A 121 -10.580 17.245 3.735 1.00 1.10 H new ATOM 0 HG21 VAL A 121 -9.538 17.562 6.602 1.00 13.23 H new ATOM 0 HG22 VAL A 121 -8.584 17.818 5.121 1.00 13.23 H new ATOM 0 HG23 VAL A 121 -8.691 19.106 6.345 1.00 13.23 H new ATOM 1975 N SER A 122 -11.400 20.351 2.157 1.00 61.21 N ATOM 1976 CA SER A 122 -12.541 20.899 1.433 1.00 2.45 C ATOM 1977 C SER A 122 -13.768 20.003 1.619 1.00 21.04 C ATOM 1978 O SER A 122 -13.638 18.779 1.669 1.00 4.24 O ATOM 1979 CB SER A 122 -12.209 21.014 -0.057 1.00 24.24 C ATOM 1980 OG SER A 122 -13.417 21.025 -0.806 1.00 22.40 O ATOM 0 H SER A 122 -10.729 19.848 1.576 1.00 61.21 H new ATOM 0 HA SER A 122 -12.762 21.890 1.830 1.00 2.45 H new ATOM 0 HB2 SER A 122 -11.642 21.925 -0.246 1.00 24.24 H new ATOM 0 HB3 SER A 122 -11.582 20.178 -0.368 1.00 24.24 H new ATOM 0 HG SER A 122 -13.209 21.100 -1.761 1.00 22.40 H new ATOM 1986 N PRO A 123 -14.946 20.570 1.732 1.00 40.21 N ATOM 1987 CA PRO A 123 -16.195 19.776 1.929 1.00 41.25 C ATOM 1988 C PRO A 123 -16.495 18.887 0.722 1.00 75.13 C ATOM 1989 O PRO A 123 -17.089 17.818 0.858 1.00 61.11 O ATOM 1990 CB PRO A 123 -17.288 20.839 2.131 1.00 40.21 C ATOM 1991 CG PRO A 123 -16.742 22.089 1.522 1.00 12.51 C ATOM 1992 CD PRO A 123 -15.224 22.017 1.677 1.00 22.11 C ATOM 0 HA PRO A 123 -16.120 19.091 2.773 1.00 41.25 H new ATOM 0 HB2 PRO A 123 -18.219 20.541 1.649 1.00 40.21 H new ATOM 0 HB3 PRO A 123 -17.508 20.981 3.189 1.00 40.21 H new ATOM 0 HG2 PRO A 123 -17.022 22.163 0.471 1.00 12.51 H new ATOM 0 HG3 PRO A 123 -17.142 22.971 2.022 1.00 12.51 H new ATOM 0 HD2 PRO A 123 -14.713 22.491 0.839 1.00 22.11 H new ATOM 0 HD3 PRO A 123 -14.890 22.524 2.582 1.00 22.11 H new ATOM 2000 N ALA A 124 -16.065 19.333 -0.454 1.00 21.10 N ATOM 2001 CA ALA A 124 -16.278 18.564 -1.674 1.00 43.15 C ATOM 2002 C ALA A 124 -15.289 17.405 -1.739 1.00 72.30 C ATOM 2003 O ALA A 124 -15.605 16.328 -2.246 1.00 20.22 O ATOM 2004 CB ALA A 124 -16.098 19.462 -2.899 1.00 32.13 C ATOM 0 H ALA A 124 -15.571 20.215 -0.587 1.00 21.10 H new ATOM 0 HA ALA A 124 -17.294 18.169 -1.667 1.00 43.15 H new ATOM 0 HB1 ALA A 124 -16.259 18.878 -3.805 1.00 32.13 H new ATOM 0 HB2 ALA A 124 -16.819 20.279 -2.861 1.00 32.13 H new ATOM 0 HB3 ALA A 124 -15.087 19.870 -2.906 1.00 32.13 H new ATOM 2010 N ALA A 125 -14.091 17.640 -1.216 1.00 64.13 N ATOM 2011 CA ALA A 125 -13.048 16.620 -1.207 1.00 1.50 C ATOM 2012 C ALA A 125 -13.476 15.423 -0.369 1.00 25.33 C ATOM 2013 O ALA A 125 -13.249 14.277 -0.743 1.00 32.23 O ATOM 2014 CB ALA A 125 -11.763 17.205 -0.623 1.00 75.12 C ATOM 0 H ALA A 125 -13.818 18.527 -0.793 1.00 64.13 H new ATOM 0 HA ALA A 125 -12.876 16.293 -2.232 1.00 1.50 H new ATOM 0 HB1 ALA A 125 -10.985 16.441 -0.617 1.00 75.12 H new ATOM 0 HB2 ALA A 125 -11.438 18.049 -1.231 1.00 75.12 H new ATOM 0 HB3 ALA A 125 -11.948 17.543 0.397 1.00 75.12 H new ATOM 2020 N THR A 126 -14.115 15.709 0.756 1.00 20.14 N ATOM 2021 CA THR A 126 -14.598 14.657 1.643 1.00 3.30 C ATOM 2022 C THR A 126 -15.829 13.984 1.035 1.00 23.33 C ATOM 2023 O THR A 126 -16.092 12.805 1.275 1.00 43.03 O ATOM 2024 CB THR A 126 -14.931 15.238 3.032 1.00 22.42 C ATOM 2025 OG1 THR A 126 -14.210 16.447 3.216 1.00 2.41 O ATOM 2026 CG2 THR A 126 -14.535 14.239 4.132 1.00 4.03 C ATOM 0 H THR A 126 -14.311 16.657 1.077 1.00 20.14 H new ATOM 0 HA THR A 126 -13.814 13.909 1.762 1.00 3.30 H new ATOM 0 HB THR A 126 -16.002 15.429 3.093 1.00 22.42 H new ATOM 0 HG1 THR A 126 -14.419 16.822 4.097 1.00 2.41 H new ATOM 0 HG21 THR A 126 -14.775 14.659 5.109 1.00 4.03 H new ATOM 0 HG22 THR A 126 -15.085 13.308 3.993 1.00 4.03 H new ATOM 0 HG23 THR A 126 -13.465 14.040 4.075 1.00 4.03 H new ATOM 2034 N ALA A 127 -16.598 14.760 0.278 1.00 75.53 N ATOM 2035 CA ALA A 127 -17.826 14.269 -0.339 1.00 74.44 C ATOM 2036 C ALA A 127 -17.576 13.367 -1.546 1.00 64.32 C ATOM 2037 O ALA A 127 -18.126 12.269 -1.622 1.00 31.01 O ATOM 2038 CB ALA A 127 -18.649 15.459 -0.789 1.00 74.43 C ATOM 0 H ALA A 127 -16.391 15.738 0.076 1.00 75.53 H new ATOM 0 HA ALA A 127 -18.346 13.671 0.409 1.00 74.44 H new ATOM 0 HB1 ALA A 127 -19.571 15.109 -1.253 1.00 74.43 H new ATOM 0 HB2 ALA A 127 -18.890 16.082 0.073 1.00 74.43 H new ATOM 0 HB3 ALA A 127 -18.079 16.044 -1.511 1.00 74.43 H new ATOM 2044 N ILE A 128 -16.733 13.808 -2.479 1.00 41.33 N ATOM 2045 CA ILE A 128 -16.436 12.986 -3.637 1.00 21.54 C ATOM 2046 C ILE A 128 -15.818 11.701 -3.123 1.00 1.11 C ATOM 2047 O ILE A 128 -16.038 10.607 -3.642 1.00 31.32 O ATOM 2048 CB ILE A 128 -15.482 13.752 -4.574 1.00 42.31 C ATOM 2049 CG1 ILE A 128 -15.726 13.329 -6.019 1.00 14.43 C ATOM 2050 CG2 ILE A 128 -14.009 13.499 -4.212 1.00 32.51 C ATOM 2051 CD1 ILE A 128 -15.615 11.805 -6.152 1.00 15.02 C ATOM 0 H ILE A 128 -16.256 14.709 -2.453 1.00 41.33 H new ATOM 0 HA ILE A 128 -17.331 12.751 -4.213 1.00 21.54 H new ATOM 0 HB ILE A 128 -15.685 14.816 -4.456 1.00 42.31 H new ATOM 0 HG12 ILE A 128 -16.714 13.658 -6.340 1.00 14.43 H new ATOM 0 HG13 ILE A 128 -15.001 13.812 -6.674 1.00 14.43 H new ATOM 0 HG21 ILE A 128 -13.366 14.055 -4.894 1.00 32.51 H new ATOM 0 HG22 ILE A 128 -13.824 13.828 -3.189 1.00 32.51 H new ATOM 0 HG23 ILE A 128 -13.791 12.434 -4.296 1.00 32.51 H new ATOM 0 HD11 ILE A 128 -15.791 11.516 -7.188 1.00 15.02 H new ATOM 0 HD12 ILE A 128 -14.617 11.485 -5.851 1.00 15.02 H new ATOM 0 HD13 ILE A 128 -16.357 11.329 -5.511 1.00 15.02 H new ATOM 2063 N PHE A 129 -15.052 11.888 -2.069 1.00 33.53 N ATOM 2064 CA PHE A 129 -14.373 10.803 -1.396 1.00 40.20 C ATOM 2065 C PHE A 129 -15.389 9.824 -0.815 1.00 72.51 C ATOM 2066 O PHE A 129 -15.258 8.610 -0.971 1.00 34.40 O ATOM 2067 CB PHE A 129 -13.514 11.391 -0.285 1.00 21.32 C ATOM 2068 CG PHE A 129 -12.780 10.298 0.466 1.00 62.51 C ATOM 2069 CD1 PHE A 129 -12.094 9.284 -0.225 1.00 72.20 C ATOM 2070 CD2 PHE A 129 -12.782 10.302 1.865 1.00 24.04 C ATOM 2071 CE1 PHE A 129 -11.418 8.287 0.488 1.00 64.05 C ATOM 2072 CE2 PHE A 129 -12.104 9.304 2.569 1.00 20.40 C ATOM 2073 CZ PHE A 129 -11.423 8.298 1.882 1.00 62.13 C ATOM 0 H PHE A 129 -14.882 12.804 -1.653 1.00 33.53 H new ATOM 0 HA PHE A 129 -13.746 10.260 -2.104 1.00 40.20 H new ATOM 0 HB2 PHE A 129 -12.795 12.093 -0.708 1.00 21.32 H new ATOM 0 HB3 PHE A 129 -14.141 11.955 0.406 1.00 21.32 H new ATOM 0 HD1 PHE A 129 -12.089 9.274 -1.305 1.00 72.20 H new ATOM 0 HD2 PHE A 129 -13.308 11.078 2.401 1.00 24.04 H new ATOM 0 HE1 PHE A 129 -10.892 7.508 -0.043 1.00 64.05 H new ATOM 0 HE2 PHE A 129 -12.107 9.311 3.649 1.00 20.40 H new ATOM 0 HZ PHE A 129 -10.900 7.528 2.430 1.00 62.13 H new ATOM 2083 N ARG A 130 -16.404 10.365 -0.146 1.00 74.34 N ATOM 2084 CA ARG A 130 -17.444 9.536 0.453 1.00 5.14 C ATOM 2085 C ARG A 130 -18.266 8.842 -0.630 1.00 41.10 C ATOM 2086 O ARG A 130 -18.703 7.706 -0.456 1.00 32.32 O ATOM 2087 CB ARG A 130 -18.363 10.394 1.324 1.00 61.03 C ATOM 2088 CG ARG A 130 -19.382 9.496 2.027 1.00 52.24 C ATOM 2089 CD ARG A 130 -20.206 10.330 3.011 1.00 72.22 C ATOM 2090 NE ARG A 130 -21.160 9.482 3.716 1.00 44.41 N ATOM 2091 CZ ARG A 130 -20.756 8.596 4.621 1.00 13.45 C ATOM 2092 NH1 ARG A 130 -19.485 8.470 4.890 1.00 74.51 N ATOM 2093 NH2 ARG A 130 -21.631 7.851 5.241 1.00 12.21 N ATOM 0 H ARG A 130 -16.528 11.368 -0.006 1.00 74.34 H new ATOM 0 HA ARG A 130 -16.965 8.778 1.072 1.00 5.14 H new ATOM 0 HB2 ARG A 130 -17.776 10.942 2.061 1.00 61.03 H new ATOM 0 HB3 ARG A 130 -18.877 11.134 0.711 1.00 61.03 H new ATOM 0 HG2 ARG A 130 -20.038 9.028 1.293 1.00 52.24 H new ATOM 0 HG3 ARG A 130 -18.870 8.692 2.555 1.00 52.24 H new ATOM 0 HD2 ARG A 130 -19.545 10.819 3.727 1.00 72.22 H new ATOM 0 HD3 ARG A 130 -20.736 11.118 2.476 1.00 72.22 H new ATOM 0 HE ARG A 130 -22.155 9.570 3.511 1.00 44.41 H new ATOM 0 HH11 ARG A 130 -18.801 9.052 4.406 1.00 74.51 H new ATOM 0 HH12 ARG A 130 -19.176 7.790 5.585 1.00 74.51 H new ATOM 0 HH21 ARG A 130 -22.624 7.949 5.031 1.00 12.21 H new ATOM 0 HH22 ARG A 130 -21.321 7.171 5.935 1.00 12.21 H new ATOM 2107 N LYS A 131 -18.461 9.530 -1.751 1.00 3.50 N ATOM 2108 CA LYS A 131 -19.222 8.958 -2.857 1.00 22.51 C ATOM 2109 C LYS A 131 -18.562 7.665 -3.321 1.00 44.42 C ATOM 2110 O LYS A 131 -19.215 6.631 -3.450 1.00 4.42 O ATOM 2111 CB LYS A 131 -19.294 9.951 -4.022 1.00 0.54 C ATOM 2112 CG LYS A 131 -20.320 11.042 -3.705 1.00 42.04 C ATOM 2113 CD LYS A 131 -20.427 12.002 -4.891 1.00 73.24 C ATOM 2114 CE LYS A 131 -21.342 13.172 -4.520 1.00 74.53 C ATOM 2115 NZ LYS A 131 -20.622 14.092 -3.596 1.00 73.43 N ATOM 0 H LYS A 131 -18.108 10.472 -1.917 1.00 3.50 H new ATOM 0 HA LYS A 131 -20.235 8.744 -2.515 1.00 22.51 H new ATOM 0 HB2 LYS A 131 -18.315 10.398 -4.193 1.00 0.54 H new ATOM 0 HB3 LYS A 131 -19.572 9.432 -4.939 1.00 0.54 H new ATOM 0 HG2 LYS A 131 -21.292 10.593 -3.498 1.00 42.04 H new ATOM 0 HG3 LYS A 131 -20.023 11.586 -2.809 1.00 42.04 H new ATOM 0 HD2 LYS A 131 -19.439 12.372 -5.164 1.00 73.24 H new ATOM 0 HD3 LYS A 131 -20.823 11.479 -5.761 1.00 73.24 H new ATOM 0 HE2 LYS A 131 -21.647 13.708 -5.419 1.00 74.53 H new ATOM 0 HE3 LYS A 131 -22.251 12.801 -4.046 1.00 74.53 H new ATOM 0 HZ1 LYS A 131 -21.120 15.004 -3.557 1.00 73.43 H new ATOM 0 HZ2 LYS A 131 -20.591 13.674 -2.644 1.00 73.43 H new ATOM 0 HZ3 LYS A 131 -19.652 14.241 -3.941 1.00 73.43 H new ATOM 2129 N LEU A 132 -17.256 7.734 -3.554 1.00 3.13 N ATOM 2130 CA LEU A 132 -16.500 6.565 -3.987 1.00 63.42 C ATOM 2131 C LEU A 132 -16.586 5.472 -2.924 1.00 14.34 C ATOM 2132 O LEU A 132 -16.851 4.308 -3.228 1.00 43.11 O ATOM 2133 CB LEU A 132 -15.026 6.955 -4.207 1.00 73.01 C ATOM 2134 CG LEU A 132 -14.770 7.386 -5.664 1.00 61.30 C ATOM 2135 CD1 LEU A 132 -14.715 6.156 -6.580 1.00 61.11 C ATOM 2136 CD2 LEU A 132 -15.877 8.341 -6.140 1.00 71.13 C ATOM 0 H LEU A 132 -16.701 8.583 -3.451 1.00 3.13 H new ATOM 0 HA LEU A 132 -16.920 6.192 -4.921 1.00 63.42 H new ATOM 0 HB2 LEU A 132 -14.759 7.769 -3.533 1.00 73.01 H new ATOM 0 HB3 LEU A 132 -14.383 6.111 -3.957 1.00 73.01 H new ATOM 0 HG LEU A 132 -13.812 7.904 -5.708 1.00 61.30 H new ATOM 0 HD11 LEU A 132 -14.534 6.475 -7.606 1.00 61.11 H new ATOM 0 HD12 LEU A 132 -13.909 5.497 -6.257 1.00 61.11 H new ATOM 0 HD13 LEU A 132 -15.663 5.621 -6.528 1.00 61.11 H new ATOM 0 HD21 LEU A 132 -15.683 8.637 -7.171 1.00 71.13 H new ATOM 0 HD22 LEU A 132 -16.842 7.837 -6.082 1.00 71.13 H new ATOM 0 HD23 LEU A 132 -15.892 9.226 -5.505 1.00 71.13 H new ATOM 2148 N ALA A 133 -16.349 5.862 -1.678 1.00 1.25 N ATOM 2149 CA ALA A 133 -16.386 4.919 -0.571 1.00 21.11 C ATOM 2150 C ALA A 133 -17.777 4.304 -0.419 1.00 41.20 C ATOM 2151 O ALA A 133 -17.904 3.116 -0.124 1.00 20.44 O ATOM 2152 CB ALA A 133 -15.987 5.627 0.727 1.00 71.34 C ATOM 0 H ALA A 133 -16.130 6.822 -1.411 1.00 1.25 H new ATOM 0 HA ALA A 133 -15.679 4.117 -0.782 1.00 21.11 H new ATOM 0 HB1 ALA A 133 -16.016 4.916 1.553 1.00 71.34 H new ATOM 0 HB2 ALA A 133 -14.978 6.027 0.628 1.00 71.34 H new ATOM 0 HB3 ALA A 133 -16.682 6.443 0.925 1.00 71.34 H new ATOM 2158 N GLY A 134 -18.821 5.102 -0.632 1.00 71.52 N ATOM 2159 CA GLY A 134 -20.182 4.594 -0.513 1.00 64.23 C ATOM 2160 C GLY A 134 -20.467 3.550 -1.583 1.00 33.34 C ATOM 2161 O GLY A 134 -21.131 2.547 -1.325 1.00 0.31 O ATOM 0 H GLY A 134 -18.752 6.088 -0.884 1.00 71.52 H new ATOM 0 HA2 GLY A 134 -20.326 4.157 0.475 1.00 64.23 H new ATOM 0 HA3 GLY A 134 -20.891 5.417 -0.604 1.00 64.23 H new ATOM 2165 N GLU A 135 -19.952 3.788 -2.783 1.00 15.34 N ATOM 2166 CA GLU A 135 -20.152 2.854 -3.883 1.00 54.22 C ATOM 2167 C GLU A 135 -19.479 1.525 -3.566 1.00 2.21 C ATOM 2168 O GLU A 135 -19.852 0.484 -4.105 1.00 52.54 O ATOM 2169 CB GLU A 135 -19.571 3.432 -5.175 1.00 71.22 C ATOM 2170 CG GLU A 135 -20.465 4.566 -5.676 1.00 11.05 C ATOM 2171 CD GLU A 135 -19.896 5.149 -6.965 1.00 14.42 C ATOM 2172 OE1 GLU A 135 -18.801 4.757 -7.337 1.00 41.20 O ATOM 2173 OE2 GLU A 135 -20.561 5.979 -7.562 1.00 65.03 O ATOM 0 H GLU A 135 -19.398 4.612 -3.018 1.00 15.34 H new ATOM 0 HA GLU A 135 -21.222 2.691 -4.015 1.00 54.22 H new ATOM 0 HB2 GLU A 135 -18.561 3.802 -4.998 1.00 71.22 H new ATOM 0 HB3 GLU A 135 -19.496 2.652 -5.933 1.00 71.22 H new ATOM 0 HG2 GLU A 135 -21.475 4.194 -5.850 1.00 11.05 H new ATOM 0 HG3 GLU A 135 -20.539 5.344 -4.917 1.00 11.05 H new ATOM 2180 N ARG A 136 -18.480 1.571 -2.686 1.00 3.45 N ATOM 2181 CA ARG A 136 -17.751 0.365 -2.298 1.00 71.25 C ATOM 2182 C ARG A 136 -18.294 -0.193 -0.977 1.00 73.32 C ATOM 2183 O ARG A 136 -17.608 -0.942 -0.285 1.00 52.32 O ATOM 2184 CB ARG A 136 -16.250 0.688 -2.165 1.00 24.14 C ATOM 2185 CG ARG A 136 -15.401 -0.469 -2.722 1.00 0.22 C ATOM 2186 CD ARG A 136 -15.275 -0.336 -4.243 1.00 32.32 C ATOM 2187 NE ARG A 136 -14.759 -1.574 -4.816 1.00 22.23 N ATOM 2188 CZ ARG A 136 -14.670 -1.736 -6.132 1.00 42.14 C ATOM 2189 NH1 ARG A 136 -15.047 -0.779 -6.935 1.00 24.34 N ATOM 2190 NH2 ARG A 136 -14.206 -2.854 -6.622 1.00 63.21 N ATOM 0 H ARG A 136 -18.158 2.425 -2.231 1.00 3.45 H new ATOM 0 HA ARG A 136 -17.888 -0.393 -3.069 1.00 71.25 H new ATOM 0 HB2 ARG A 136 -16.020 1.608 -2.703 1.00 24.14 H new ATOM 0 HB3 ARG A 136 -16.000 0.860 -1.118 1.00 24.14 H new ATOM 0 HG2 ARG A 136 -14.412 -0.460 -2.264 1.00 0.22 H new ATOM 0 HG3 ARG A 136 -15.861 -1.424 -2.468 1.00 0.22 H new ATOM 0 HD2 ARG A 136 -16.248 -0.104 -4.677 1.00 32.32 H new ATOM 0 HD3 ARG A 136 -14.610 0.492 -4.489 1.00 32.32 H new ATOM 0 HE ARG A 136 -14.462 -2.328 -4.197 1.00 22.23 H new ATOM 0 HH11 ARG A 136 -15.410 0.094 -6.553 1.00 24.34 H new ATOM 0 HH12 ARG A 136 -14.978 -0.904 -7.945 1.00 24.34 H new ATOM 0 HH21 ARG A 136 -13.912 -3.603 -5.995 1.00 63.21 H new ATOM 0 HH22 ARG A 136 -14.138 -2.979 -7.632 1.00 63.21 H new ATOM 2204 N ASN A 137 -19.539 0.157 -0.660 1.00 22.52 N ATOM 2205 CA ASN A 137 -20.189 -0.331 0.558 1.00 3.30 C ATOM 2206 C ASN A 137 -19.385 -0.007 1.816 1.00 5.22 C ATOM 2207 O ASN A 137 -19.439 -0.745 2.800 1.00 12.24 O ATOM 2208 CB ASN A 137 -20.359 -1.838 0.461 1.00 64.11 C ATOM 2209 CG ASN A 137 -21.170 -2.199 -0.778 1.00 0.44 C ATOM 2210 OD1 ASN A 137 -20.888 -3.201 -1.436 1.00 61.11 O ATOM 2211 ND2 ASN A 137 -22.165 -1.435 -1.140 1.00 12.45 N ATOM 0 H ASN A 137 -20.118 0.776 -1.228 1.00 22.52 H new ATOM 0 HA ASN A 137 -21.153 0.170 0.639 1.00 3.30 H new ATOM 0 HB2 ASN A 137 -19.382 -2.319 0.418 1.00 64.11 H new ATOM 0 HB3 ASN A 137 -20.860 -2.213 1.354 1.00 64.11 H new ATOM 0 HD21 ASN A 137 -22.711 -1.668 -1.970 1.00 12.45 H new ATOM 0 HD22 ASN A 137 -22.396 -0.606 -0.593 1.00 12.45 H new ATOM 2218 N TYR A 138 -18.651 1.094 1.788 1.00 72.44 N ATOM 2219 CA TYR A 138 -17.851 1.501 2.947 1.00 4.12 C ATOM 2220 C TYR A 138 -18.669 2.383 3.889 1.00 53.42 C ATOM 2221 O TYR A 138 -19.112 3.469 3.514 1.00 42.35 O ATOM 2222 CB TYR A 138 -16.609 2.279 2.497 1.00 74.33 C ATOM 2223 CG TYR A 138 -15.646 1.415 1.691 1.00 64.33 C ATOM 2224 CD1 TYR A 138 -15.900 0.052 1.437 1.00 31.32 C ATOM 2225 CD2 TYR A 138 -14.468 1.998 1.199 1.00 34.13 C ATOM 2226 CE1 TYR A 138 -14.982 -0.707 0.701 1.00 51.43 C ATOM 2227 CE2 TYR A 138 -13.556 1.234 0.463 1.00 13.50 C ATOM 2228 CZ TYR A 138 -13.811 -0.117 0.215 1.00 11.22 C ATOM 2229 OH TYR A 138 -12.909 -0.868 -0.509 1.00 72.41 O ATOM 0 H TYR A 138 -18.588 1.721 0.986 1.00 72.44 H new ATOM 0 HA TYR A 138 -17.547 0.595 3.472 1.00 4.12 H new ATOM 0 HB2 TYR A 138 -16.917 3.134 1.895 1.00 74.33 H new ATOM 0 HB3 TYR A 138 -16.094 2.674 3.372 1.00 74.33 H new ATOM 0 HD1 TYR A 138 -16.803 -0.407 1.810 1.00 31.32 H new ATOM 0 HD2 TYR A 138 -14.265 3.041 1.389 1.00 34.13 H new ATOM 0 HE1 TYR A 138 -15.179 -1.751 0.508 1.00 51.43 H new ATOM 0 HE2 TYR A 138 -12.653 1.690 0.086 1.00 13.50 H new ATOM 0 HH TYR A 138 -12.151 -0.305 -0.772 1.00 72.41 H new ATOM 2239 N THR A 139 -18.846 1.910 5.121 1.00 73.35 N ATOM 2240 CA THR A 139 -19.590 2.661 6.130 1.00 53.43 C ATOM 2241 C THR A 139 -18.676 3.703 6.774 1.00 45.45 C ATOM 2242 O THR A 139 -17.455 3.614 6.667 1.00 2.43 O ATOM 2243 CB THR A 139 -20.138 1.710 7.207 1.00 50.03 C ATOM 2244 OG1 THR A 139 -19.264 1.710 8.328 1.00 62.52 O ATOM 2245 CG2 THR A 139 -20.245 0.288 6.647 1.00 5.14 C ATOM 0 H THR A 139 -18.485 1.012 5.444 1.00 73.35 H new ATOM 0 HA THR A 139 -20.428 3.164 5.648 1.00 53.43 H new ATOM 0 HB THR A 139 -21.128 2.050 7.511 1.00 50.03 H new ATOM 0 HG1 THR A 139 -19.614 1.105 9.015 1.00 62.52 H new ATOM 0 HG21 THR A 139 -20.634 -0.378 7.417 1.00 5.14 H new ATOM 0 HG22 THR A 139 -20.919 0.284 5.790 1.00 5.14 H new ATOM 0 HG23 THR A 139 -19.259 -0.055 6.335 1.00 5.14 H new ATOM 2253 N ASP A 140 -19.267 4.715 7.403 1.00 53.52 N ATOM 2254 CA ASP A 140 -18.472 5.781 8.006 1.00 5.52 C ATOM 2255 C ASP A 140 -17.270 5.230 8.777 1.00 31.22 C ATOM 2256 O ASP A 140 -16.139 5.654 8.546 1.00 10.14 O ATOM 2257 CB ASP A 140 -19.348 6.602 8.955 1.00 20.31 C ATOM 2258 CG ASP A 140 -19.994 5.686 9.990 1.00 21.43 C ATOM 2259 OD1 ASP A 140 -20.221 4.531 9.670 1.00 44.34 O ATOM 2260 OD2 ASP A 140 -20.253 6.155 11.086 1.00 1.43 O ATOM 0 H ASP A 140 -20.276 4.820 7.508 1.00 53.52 H new ATOM 0 HA ASP A 140 -18.096 6.410 7.199 1.00 5.52 H new ATOM 0 HB2 ASP A 140 -18.746 7.361 9.454 1.00 20.31 H new ATOM 0 HB3 ASP A 140 -20.118 7.127 8.390 1.00 20.31 H new ATOM 2265 N GLU A 141 -17.501 4.311 9.708 1.00 53.42 N ATOM 2266 CA GLU A 141 -16.402 3.763 10.501 1.00 10.41 C ATOM 2267 C GLU A 141 -15.303 3.174 9.617 1.00 2.44 C ATOM 2268 O GLU A 141 -14.164 3.027 10.054 1.00 45.00 O ATOM 2269 CB GLU A 141 -16.932 2.676 11.439 1.00 15.24 C ATOM 2270 CG GLU A 141 -17.977 3.279 12.381 1.00 61.03 C ATOM 2271 CD GLU A 141 -18.447 2.225 13.378 1.00 21.14 C ATOM 2272 OE1 GLU A 141 -18.086 1.073 13.207 1.00 3.54 O ATOM 2273 OE2 GLU A 141 -19.162 2.587 14.298 1.00 23.12 O ATOM 0 H GLU A 141 -18.422 3.934 9.931 1.00 53.42 H new ATOM 0 HA GLU A 141 -15.971 4.582 11.078 1.00 10.41 H new ATOM 0 HB2 GLU A 141 -17.374 1.865 10.860 1.00 15.24 H new ATOM 0 HB3 GLU A 141 -16.112 2.247 12.015 1.00 15.24 H new ATOM 0 HG2 GLU A 141 -17.552 4.131 12.912 1.00 61.03 H new ATOM 0 HG3 GLU A 141 -18.825 3.652 11.807 1.00 61.03 H new ATOM 2280 N MET A 142 -15.650 2.837 8.381 1.00 4.40 N ATOM 2281 CA MET A 142 -14.680 2.257 7.451 1.00 61.31 C ATOM 2282 C MET A 142 -13.787 3.331 6.858 1.00 43.01 C ATOM 2283 O MET A 142 -12.710 3.050 6.333 1.00 0.32 O ATOM 2284 CB MET A 142 -15.428 1.543 6.332 1.00 2.32 C ATOM 2285 CG MET A 142 -16.573 0.724 6.941 1.00 5.12 C ATOM 2286 SD MET A 142 -16.734 -0.841 6.056 1.00 3.23 S ATOM 2287 CE MET A 142 -15.359 -1.672 6.887 1.00 41.33 C ATOM 0 H MET A 142 -16.588 2.953 7.998 1.00 4.40 H new ATOM 0 HA MET A 142 -14.052 1.551 7.995 1.00 61.31 H new ATOM 0 HB2 MET A 142 -15.821 2.268 5.619 1.00 2.32 H new ATOM 0 HB3 MET A 142 -14.750 0.891 5.782 1.00 2.32 H new ATOM 0 HG2 MET A 142 -16.379 0.538 7.997 1.00 5.12 H new ATOM 0 HG3 MET A 142 -17.506 1.284 6.882 1.00 5.12 H new ATOM 0 HE1 MET A 142 -15.038 -2.527 6.292 1.00 41.33 H new ATOM 0 HE2 MET A 142 -14.528 -0.976 7.000 1.00 41.33 H new ATOM 0 HE3 MET A 142 -15.682 -2.014 7.870 1.00 41.33 H new ATOM 2297 N VAL A 143 -14.248 4.564 6.963 1.00 64.53 N ATOM 2298 CA VAL A 143 -13.502 5.713 6.455 1.00 14.22 C ATOM 2299 C VAL A 143 -13.292 6.715 7.591 1.00 14.35 C ATOM 2300 O VAL A 143 -14.250 7.138 8.237 1.00 2.04 O ATOM 2301 CB VAL A 143 -14.266 6.335 5.274 1.00 64.42 C ATOM 2302 CG1 VAL A 143 -15.381 7.248 5.783 1.00 63.32 C ATOM 2303 CG2 VAL A 143 -13.298 7.137 4.402 1.00 15.42 C ATOM 0 H VAL A 143 -15.140 4.802 7.397 1.00 64.53 H new ATOM 0 HA VAL A 143 -12.522 5.405 6.091 1.00 14.22 H new ATOM 0 HB VAL A 143 -14.712 5.536 4.682 1.00 64.42 H new ATOM 0 HG11 VAL A 143 -15.912 7.681 4.935 1.00 63.32 H new ATOM 0 HG12 VAL A 143 -16.077 6.669 6.390 1.00 63.32 H new ATOM 0 HG13 VAL A 143 -14.950 8.047 6.387 1.00 63.32 H new ATOM 0 HG21 VAL A 143 -13.841 7.577 3.566 1.00 15.42 H new ATOM 0 HG22 VAL A 143 -12.844 7.929 4.997 1.00 15.42 H new ATOM 0 HG23 VAL A 143 -12.519 6.477 4.021 1.00 15.42 H new ATOM 2313 N ALA A 144 -12.025 7.042 7.870 1.00 21.22 N ATOM 2314 CA ALA A 144 -11.696 7.940 8.983 1.00 22.10 C ATOM 2315 C ALA A 144 -11.021 9.245 8.539 1.00 31.53 C ATOM 2316 O ALA A 144 -9.973 9.225 7.889 1.00 10.11 O ATOM 2317 CB ALA A 144 -10.753 7.198 9.945 1.00 35.50 C ATOM 0 H ALA A 144 -11.218 6.702 7.347 1.00 21.22 H new ATOM 0 HA ALA A 144 -12.635 8.217 9.462 1.00 22.10 H new ATOM 0 HB1 ALA A 144 -10.497 7.851 10.780 1.00 35.50 H new ATOM 0 HB2 ALA A 144 -11.249 6.304 10.323 1.00 35.50 H new ATOM 0 HB3 ALA A 144 -9.844 6.913 9.416 1.00 35.50 H new ATOM 2323 N MET A 145 -11.629 10.377 8.923 1.00 34.32 N ATOM 2324 CA MET A 145 -11.082 11.692 8.596 1.00 63.14 C ATOM 2325 C MET A 145 -9.948 11.998 9.565 1.00 14.24 C ATOM 2326 O MET A 145 -10.052 11.693 10.754 1.00 64.15 O ATOM 2327 CB MET A 145 -12.153 12.785 8.745 1.00 23.12 C ATOM 2328 CG MET A 145 -13.475 12.340 8.114 1.00 13.52 C ATOM 2329 SD MET A 145 -13.410 12.629 6.330 1.00 53.13 S ATOM 2330 CE MET A 145 -13.278 10.902 5.810 1.00 63.10 C ATOM 0 H MET A 145 -12.497 10.403 9.458 1.00 34.32 H new ATOM 0 HA MET A 145 -10.730 11.679 7.564 1.00 63.14 H new ATOM 0 HB2 MET A 145 -12.306 13.009 9.801 1.00 23.12 H new ATOM 0 HB3 MET A 145 -11.810 13.704 8.270 1.00 23.12 H new ATOM 0 HG2 MET A 145 -13.651 11.284 8.317 1.00 13.52 H new ATOM 0 HG3 MET A 145 -14.306 12.892 8.554 1.00 13.52 H new ATOM 0 HE1 MET A 145 -13.206 10.854 4.723 1.00 63.10 H new ATOM 0 HE2 MET A 145 -12.387 10.456 6.253 1.00 63.10 H new ATOM 0 HE3 MET A 145 -14.161 10.354 6.140 1.00 63.10 H new ATOM 2340 N LEU A 146 -8.848 12.559 9.057 1.00 12.01 N ATOM 2341 CA LEU A 146 -7.697 12.841 9.894 1.00 23.41 C ATOM 2342 C LEU A 146 -7.435 14.356 10.036 1.00 21.43 C ATOM 2343 O LEU A 146 -7.457 15.088 9.047 1.00 31.13 O ATOM 2344 CB LEU A 146 -6.490 12.124 9.263 1.00 10.10 C ATOM 2345 CG LEU A 146 -5.653 11.454 10.344 1.00 33.14 C ATOM 2346 CD1 LEU A 146 -6.490 10.459 11.165 1.00 44.05 C ATOM 2347 CD2 LEU A 146 -4.485 10.714 9.714 1.00 0.12 C ATOM 0 H LEU A 146 -8.738 12.822 8.078 1.00 12.01 H new ATOM 0 HA LEU A 146 -7.878 12.478 10.906 1.00 23.41 H new ATOM 0 HB2 LEU A 146 -6.834 11.379 8.546 1.00 10.10 H new ATOM 0 HB3 LEU A 146 -5.880 12.840 8.712 1.00 10.10 H new ATOM 0 HG LEU A 146 -5.287 12.236 11.009 1.00 33.14 H new ATOM 0 HD11 LEU A 146 -5.862 9.998 11.928 1.00 44.05 H new ATOM 0 HD12 LEU A 146 -7.315 10.986 11.644 1.00 44.05 H new ATOM 0 HD13 LEU A 146 -6.886 9.686 10.506 1.00 44.05 H new ATOM 0 HD21 LEU A 146 -3.892 10.238 10.495 1.00 0.12 H new ATOM 0 HD22 LEU A 146 -4.862 9.953 9.030 1.00 0.12 H new ATOM 0 HD23 LEU A 146 -3.862 11.419 9.164 1.00 0.12 H new ATOM 2359 N PRO A 147 -7.191 14.831 11.251 1.00 74.32 N ATOM 2360 CA PRO A 147 -6.922 16.287 11.531 1.00 13.22 C ATOM 2361 C PRO A 147 -5.527 16.739 11.092 1.00 62.42 C ATOM 2362 O PRO A 147 -4.610 15.930 10.978 1.00 32.22 O ATOM 2363 CB PRO A 147 -7.051 16.368 13.055 1.00 50.41 C ATOM 2364 CG PRO A 147 -6.598 15.030 13.521 1.00 23.44 C ATOM 2365 CD PRO A 147 -7.149 14.044 12.505 1.00 75.41 C ATOM 0 HA PRO A 147 -7.604 16.937 10.982 1.00 13.22 H new ATOM 0 HB2 PRO A 147 -6.433 17.166 13.467 1.00 50.41 H new ATOM 0 HB3 PRO A 147 -8.078 16.571 13.359 1.00 50.41 H new ATOM 0 HG2 PRO A 147 -5.510 14.978 13.570 1.00 23.44 H new ATOM 0 HG3 PRO A 147 -6.973 14.814 14.522 1.00 23.44 H new ATOM 0 HD2 PRO A 147 -6.509 13.167 12.408 1.00 75.41 H new ATOM 0 HD3 PRO A 147 -8.139 13.686 12.788 1.00 75.41 H new ATOM 2373 N ARG A 148 -5.388 18.047 10.862 1.00 54.23 N ATOM 2374 CA ARG A 148 -4.116 18.637 10.436 1.00 1.22 C ATOM 2375 C ARG A 148 -3.025 18.479 11.494 1.00 0.43 C ATOM 2376 O ARG A 148 -1.850 18.726 11.218 1.00 13.04 O ATOM 2377 CB ARG A 148 -4.314 20.128 10.143 1.00 51.40 C ATOM 2378 CG ARG A 148 -4.578 20.877 11.452 1.00 43.21 C ATOM 2379 CD ARG A 148 -5.111 22.276 11.142 1.00 35.10 C ATOM 2380 NE ARG A 148 -5.300 23.030 12.376 1.00 62.22 N ATOM 2381 CZ ARG A 148 -6.333 22.793 13.176 1.00 1.20 C ATOM 2382 NH1 ARG A 148 -7.201 21.869 12.863 1.00 52.02 N ATOM 2383 NH2 ARG A 148 -6.480 23.481 14.275 1.00 12.35 N ATOM 0 H ARG A 148 -6.146 18.722 10.964 1.00 54.23 H new ATOM 0 HA ARG A 148 -3.795 18.108 9.539 1.00 1.22 H new ATOM 0 HB2 ARG A 148 -3.429 20.533 9.652 1.00 51.40 H new ATOM 0 HB3 ARG A 148 -5.150 20.267 9.458 1.00 51.40 H new ATOM 0 HG2 ARG A 148 -5.299 20.328 12.058 1.00 43.21 H new ATOM 0 HG3 ARG A 148 -3.659 20.947 12.035 1.00 43.21 H new ATOM 0 HD2 ARG A 148 -4.414 22.802 10.490 1.00 35.10 H new ATOM 0 HD3 ARG A 148 -6.056 22.202 10.605 1.00 35.10 H new ATOM 0 HE ARG A 148 -4.626 23.753 12.629 1.00 62.22 H new ATOM 0 HH11 ARG A 148 -7.085 21.330 12.005 1.00 52.02 H new ATOM 0 HH12 ARG A 148 -7.995 21.686 13.477 1.00 52.02 H new ATOM 0 HH21 ARG A 148 -5.801 24.202 14.520 1.00 12.35 H new ATOM 0 HH22 ARG A 148 -7.274 23.298 14.889 1.00 12.35 H new ATOM 2397 N GLN A 149 -3.412 18.082 12.699 1.00 64.01 N ATOM 2398 CA GLN A 149 -2.447 17.912 13.786 1.00 11.12 C ATOM 2399 C GLN A 149 -1.139 17.313 13.266 1.00 23.43 C ATOM 2400 O GLN A 149 -1.138 16.270 12.617 1.00 1.45 O ATOM 2401 CB GLN A 149 -3.033 17.003 14.868 1.00 63.41 C ATOM 2402 CG GLN A 149 -4.104 17.764 15.652 1.00 22.32 C ATOM 2403 CD GLN A 149 -3.452 18.825 16.533 1.00 72.30 C ATOM 2404 OE1 GLN A 149 -2.252 18.761 16.799 1.00 52.21 O ATOM 2405 NE2 GLN A 149 -4.177 19.803 17.004 1.00 51.13 N ATOM 0 H GLN A 149 -4.378 17.872 12.951 1.00 64.01 H new ATOM 0 HA GLN A 149 -2.235 18.894 14.210 1.00 11.12 H new ATOM 0 HB2 GLN A 149 -3.465 16.111 14.414 1.00 63.41 H new ATOM 0 HB3 GLN A 149 -2.245 16.667 15.542 1.00 63.41 H new ATOM 0 HG2 GLN A 149 -4.806 18.233 14.963 1.00 22.32 H new ATOM 0 HG3 GLN A 149 -4.677 17.071 16.268 1.00 22.32 H new ATOM 0 HE21 GLN A 149 -5.171 19.854 16.782 1.00 51.13 H new ATOM 0 HE22 GLN A 149 -3.749 20.517 17.594 1.00 51.13 H new ATOM 2414 N GLU A 150 -0.027 17.990 13.545 1.00 42.02 N ATOM 2415 CA GLU A 150 1.285 17.522 13.093 1.00 71.13 C ATOM 2416 C GLU A 150 2.257 17.419 14.263 1.00 22.12 C ATOM 2417 O GLU A 150 2.361 18.334 15.081 1.00 71.23 O ATOM 2418 CB GLU A 150 1.847 18.491 12.049 1.00 34.32 C ATOM 2419 CG GLU A 150 2.003 19.880 12.670 1.00 13.13 C ATOM 2420 CD GLU A 150 2.278 20.911 11.581 1.00 52.33 C ATOM 2421 OE1 GLU A 150 2.462 20.507 10.445 1.00 32.34 O ATOM 2422 OE2 GLU A 150 2.301 22.089 11.899 1.00 3.52 O ATOM 0 H GLU A 150 -0.006 18.859 14.078 1.00 42.02 H new ATOM 0 HA GLU A 150 1.163 16.533 12.652 1.00 71.13 H new ATOM 0 HB2 GLU A 150 2.811 18.133 11.687 1.00 34.32 H new ATOM 0 HB3 GLU A 150 1.181 18.539 11.187 1.00 34.32 H new ATOM 0 HG2 GLU A 150 1.098 20.147 13.215 1.00 13.13 H new ATOM 0 HG3 GLU A 150 2.820 19.875 13.392 1.00 13.13 H new ATOM 2429 N GLU A 151 2.978 16.300 14.331 1.00 4.03 N ATOM 2430 CA GLU A 151 3.956 16.079 15.394 1.00 52.44 C ATOM 2431 C GLU A 151 5.347 15.959 14.787 1.00 73.51 C ATOM 2432 O GLU A 151 6.346 16.316 15.412 1.00 3.50 O ATOM 2433 CB GLU A 151 3.618 14.799 16.161 1.00 72.13 C ATOM 2434 CG GLU A 151 2.245 14.945 16.822 1.00 41.50 C ATOM 2435 CD GLU A 151 2.295 16.026 17.897 1.00 14.22 C ATOM 2436 OE1 GLU A 151 3.389 16.377 18.306 1.00 41.41 O ATOM 2437 OE2 GLU A 151 1.237 16.488 18.294 1.00 62.43 O ATOM 0 H GLU A 151 2.903 15.533 13.663 1.00 4.03 H new ATOM 0 HA GLU A 151 3.930 16.923 16.084 1.00 52.44 H new ATOM 0 HB2 GLU A 151 3.618 13.946 15.483 1.00 72.13 H new ATOM 0 HB3 GLU A 151 4.378 14.605 16.917 1.00 72.13 H new ATOM 0 HG2 GLU A 151 1.497 15.201 16.072 1.00 41.50 H new ATOM 0 HG3 GLU A 151 1.942 13.996 17.263 1.00 41.50 H new ATOM 2444 N CYS A 152 5.397 15.454 13.557 1.00 54.01 N ATOM 2445 CA CYS A 152 6.660 15.281 12.847 1.00 34.43 C ATOM 2446 C CYS A 152 6.506 15.699 11.386 1.00 75.51 C ATOM 2447 O CYS A 152 5.393 15.745 10.859 1.00 62.32 O ATOM 2448 CB CYS A 152 7.095 13.816 12.924 1.00 0.24 C ATOM 2449 SG CYS A 152 7.966 13.526 14.484 1.00 44.10 S ATOM 0 H CYS A 152 4.575 15.157 13.031 1.00 54.01 H new ATOM 0 HA CYS A 152 7.419 15.910 13.314 1.00 34.43 H new ATOM 0 HB2 CYS A 152 6.225 13.163 12.854 1.00 0.24 H new ATOM 0 HB3 CYS A 152 7.744 13.574 12.082 1.00 0.24 H new ATOM 2454 N THR A 153 7.625 16.006 10.740 1.00 75.14 N ATOM 2455 CA THR A 153 7.604 16.423 9.339 1.00 22.23 C ATOM 2456 C THR A 153 8.930 16.085 8.661 1.00 50.03 C ATOM 2457 O THR A 153 9.939 15.864 9.328 1.00 31.11 O ATOM 2458 CB THR A 153 7.348 17.930 9.245 1.00 71.11 C ATOM 2459 OG1 THR A 153 8.314 18.623 10.024 1.00 5.13 O ATOM 2460 CG2 THR A 153 5.944 18.249 9.769 1.00 31.04 C ATOM 0 H THR A 153 8.554 15.975 11.159 1.00 75.14 H new ATOM 0 HA THR A 153 6.802 15.888 8.831 1.00 22.23 H new ATOM 0 HB THR A 153 7.424 18.245 8.204 1.00 71.11 H new ATOM 0 HG1 THR A 153 8.152 19.588 9.963 1.00 5.13 H new ATOM 0 HG21 THR A 153 5.765 19.322 9.701 1.00 31.04 H new ATOM 0 HG22 THR A 153 5.203 17.719 9.171 1.00 31.04 H new ATOM 0 HG23 THR A 153 5.863 17.933 10.809 1.00 31.04 H new ATOM 2468 N VAL A 154 8.919 16.053 7.331 1.00 43.53 N ATOM 2469 CA VAL A 154 10.110 15.750 6.575 1.00 13.03 C ATOM 2470 C VAL A 154 11.107 16.892 6.686 1.00 70.14 C ATOM 2471 O VAL A 154 10.750 18.018 7.034 1.00 41.12 O ATOM 2472 CB VAL A 154 9.743 15.525 5.105 1.00 11.05 C ATOM 2473 CG1 VAL A 154 8.467 14.686 5.016 1.00 73.42 C ATOM 2474 CG2 VAL A 154 9.519 16.875 4.411 1.00 75.21 C ATOM 0 H VAL A 154 8.092 16.235 6.762 1.00 43.53 H new ATOM 0 HA VAL A 154 10.565 14.845 6.978 1.00 13.03 H new ATOM 0 HB VAL A 154 10.559 14.998 4.610 1.00 11.05 H new ATOM 0 HG11 VAL A 154 8.208 14.527 3.969 1.00 73.42 H new ATOM 0 HG12 VAL A 154 8.630 13.723 5.499 1.00 73.42 H new ATOM 0 HG13 VAL A 154 7.652 15.209 5.516 1.00 73.42 H new ATOM 0 HG21 VAL A 154 9.258 16.708 3.366 1.00 75.21 H new ATOM 0 HG22 VAL A 154 8.708 17.409 4.906 1.00 75.21 H new ATOM 0 HG23 VAL A 154 10.431 17.469 4.467 1.00 75.21 H new ATOM 2484 N ASP A 155 12.351 16.590 6.379 1.00 53.10 N ATOM 2485 CA ASP A 155 13.405 17.592 6.435 1.00 33.15 C ATOM 2486 C ASP A 155 13.265 18.584 5.297 1.00 24.14 C ATOM 2487 O ASP A 155 12.533 18.366 4.333 1.00 1.22 O ATOM 2488 CB ASP A 155 14.788 16.951 6.374 1.00 73.41 C ATOM 2489 CG ASP A 155 15.869 18.024 6.284 1.00 20.14 C ATOM 2490 OD1 ASP A 155 16.273 18.518 7.323 1.00 21.31 O ATOM 2491 OD2 ASP A 155 16.275 18.336 5.176 1.00 61.10 O ATOM 0 H ASP A 155 12.661 15.663 6.088 1.00 53.10 H new ATOM 0 HA ASP A 155 13.302 18.114 7.387 1.00 33.15 H new ATOM 0 HB2 ASP A 155 14.950 16.336 7.259 1.00 73.41 H new ATOM 0 HB3 ASP A 155 14.851 16.289 5.510 1.00 73.41 H new ATOM 2496 N GLU A 156 13.986 19.674 5.436 1.00 72.24 N ATOM 2497 CA GLU A 156 13.978 20.741 4.440 1.00 2.51 C ATOM 2498 C GLU A 156 15.382 21.307 4.256 1.00 22.34 C ATOM 2499 O GLU A 156 15.741 22.318 4.859 1.00 60.44 O ATOM 2500 CB GLU A 156 13.023 21.855 4.877 1.00 12.40 C ATOM 2501 CG GLU A 156 13.151 22.076 6.386 1.00 31.31 C ATOM 2502 CD GLU A 156 12.283 23.253 6.816 1.00 54.20 C ATOM 2503 OE1 GLU A 156 12.648 24.376 6.509 1.00 10.33 O ATOM 2504 OE2 GLU A 156 11.267 23.014 7.447 1.00 31.31 O ATOM 0 H GLU A 156 14.594 19.853 6.235 1.00 72.24 H new ATOM 0 HA GLU A 156 13.639 20.328 3.490 1.00 2.51 H new ATOM 0 HB2 GLU A 156 13.254 22.777 4.343 1.00 12.40 H new ATOM 0 HB3 GLU A 156 11.997 21.589 4.624 1.00 12.40 H new ATOM 0 HG2 GLU A 156 12.848 21.176 6.921 1.00 31.31 H new ATOM 0 HG3 GLU A 156 14.192 22.267 6.647 1.00 31.31 H new ATOM 2511 N VAL A 157 16.168 20.644 3.419 1.00 41.13 N ATOM 2512 CA VAL A 157 17.528 21.077 3.152 1.00 51.41 C ATOM 2513 C VAL A 157 17.541 22.499 2.600 1.00 11.12 C ATOM 2514 O VAL A 157 16.508 23.144 2.655 1.00 22.34 O ATOM 2515 CB VAL A 157 18.170 20.123 2.144 1.00 33.14 C ATOM 2516 CG1 VAL A 157 18.541 18.812 2.839 1.00 64.33 C ATOM 2517 CG2 VAL A 157 17.177 19.837 1.016 1.00 63.55 C ATOM 2518 OXT VAL A 157 18.585 22.922 2.131 1.00 22.34 O ATOM 0 H VAL A 157 15.885 19.804 2.914 1.00 41.13 H new ATOM 0 HA VAL A 157 18.094 21.066 4.084 1.00 51.41 H new ATOM 0 HB VAL A 157 19.070 20.581 1.734 1.00 33.14 H new ATOM 0 HG11 VAL A 157 18.998 18.135 2.118 1.00 64.33 H new ATOM 0 HG12 VAL A 157 19.247 19.014 3.645 1.00 64.33 H new ATOM 0 HG13 VAL A 157 17.643 18.351 3.250 1.00 64.33 H new ATOM 0 HG21 VAL A 157 17.631 19.157 0.295 1.00 63.55 H new ATOM 0 HG22 VAL A 157 16.278 19.380 1.430 1.00 63.55 H new ATOM 0 HG23 VAL A 157 16.913 20.770 0.518 1.00 63.55 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 0.993 3.773 3.076 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.189 1.814 2.324 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.423 2.345 2.255 1.00 20.00 O HETATM 2532 N1 EB4 A 200 0.473 -1.656 5.723 1.00 20.00 N HETATM 2533 C5 EB4 A 200 3.657 1.775 2.304 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.470 0.627 2.390 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.155 -0.139 3.505 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.062 1.355 3.566 1.00 20.00 C HETATM 2537 C6 EB4 A 200 0.430 4.445 4.116 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.497 1.597 1.211 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.757 0.358 5.942 1.00 20.00 N HETATM 2540 C9 EB4 A 200 -0.290 5.629 4.001 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.997 -1.085 1.650 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.292 2.680 5.349 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.864 2.643 7.844 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -0.761 -1.376 3.693 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.391 0.152 1.463 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.619 3.862 5.363 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.741 1.000 1.382 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.757 0.428 4.340 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.168 1.575 4.567 1.00 20.00 O HETATM 2550 C12 EB4 A 200 -0.791 6.247 5.142 1.00 20.00 C HETATM 2551 C15 EB4 A 200 -0.572 5.681 6.393 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.145 0.580 2.646 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -1.682 -1.850 2.765 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -0.951 -3.297 5.069 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -0.424 -2.199 4.889 1.00 20.00 C HETATM 2556 C22 EB4 A 200 0.908 -2.341 6.948 1.00 20.00 C HETATM 2557 C25 EB4 A 200 0.587 -1.502 8.174 1.00 20.00 C HETATM 2558 O10 EB4 A 200 0.297 -2.040 9.241 1.00 20.00 O HETATM 2559 O15 EB4 A 200 0.644 -0.154 8.005 1.00 20.00 O HETATM 2560 C30 EB4 A 200 0.322 0.649 9.151 1.00 20.00 C HETATM 2561 C24 EB4 A 200 1.146 1.924 9.094 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.364 3.887 7.848 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.132 4.488 6.505 1.00 20.00 C HETATM 2564 O9 EB4 A 200 0.105 4.516 8.873 1.00 20.00 O HETATM 2565 C27 EB4 A 200 2.634 1.496 9.273 1.00 20.00 C HETATM 2566 O12 EB4 A 200 3.073 1.165 10.373 1.00 20.00 O HETATM 2567 C28 EB4 A 200 2.375 -2.736 6.844 1.00 20.00 C HETATM 2568 O13 EB4 A 200 3.254 -1.620 6.632 1.00 20.00 O HETATM 2569 C26 EB4 A 200 4.051 -1.223 7.661 1.00 20.00 C HETATM 2570 O11 EB4 A 200 4.045 -1.738 8.777 1.00 20.00 O HETATM 2571 C23 EB4 A 200 4.987 -0.055 7.333 1.00 20.00 C HETATM 2572 C29 EB4 A 200 4.737 1.108 8.279 1.00 20.00 C HETATM 2573 O14 EB4 A 200 3.373 1.524 8.132 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.710 0.336 5.000 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.868 -0.024 5.204 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.305 0.758 3.739 1.00 20.00 C HETATM 0 H30A EB4 A 200 -0.742 0.886 9.161 1.00 20.00 H new HETATM 0 H29A EB4 A 200 4.934 0.809 9.309 1.00 20.00 H new HETATM 0 H28A EB4 A 200 2.670 -3.252 7.757 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 1.053 2.185 6.952 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.825 0.678 5.680 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.865 -0.741 5.501 1.00 20.00 H new HETATM 0 H9 EB4 A 200 -0.461 6.072 3.020 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.181 1.925 0.221 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.639 0.751 0.587 1.00 20.00 H new HETATM 0 H30 EB4 A 200 0.535 0.101 10.069 1.00 20.00 H new HETATM 0 H29 EB4 A 200 5.412 1.933 8.052 1.00 20.00 H new HETATM 0 H28 EB4 A 200 2.495 -3.444 6.024 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.896 2.631 9.885 1.00 20.00 H new HETATM 0 H23 EB4 A 200 6.023 -0.371 7.456 1.00 20.00 H new HETATM 0 H22 EB4 A 200 0.350 -3.270 7.065 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.953 6.174 7.287 1.00 20.00 H new HETATM 0 H14 EB4 A 200 7.120 0.111 2.779 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.156 -2.820 2.913 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -1.356 7.175 5.055 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.400 0.861 0.525 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.719 -1.454 0.922 1.00 20.00 H new HETATM 2598 GA GA A 201 1.544 2.004 3.681 1.00 20.00 GA HETATM 2599 C1 ACD A 300 0.347 11.525 -11.543 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.610 10.756 -10.247 1.00 20.00 C HETATM 2601 C3 ACD A 300 -0.732 10.462 -9.573 1.00 20.00 C HETATM 2602 C4 ACD A 300 -0.522 9.769 -8.225 1.00 20.00 C HETATM 2603 C5 ACD A 300 -1.884 9.588 -7.550 1.00 20.00 C HETATM 2604 C6 ACD A 300 -1.978 9.340 -6.044 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.707 9.269 -5.195 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.114 7.863 -5.295 1.00 20.00 C HETATM 2607 C9 ACD A 300 0.108 7.009 -4.043 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.255 7.540 -2.654 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.132 6.523 -1.919 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.656 5.878 -0.615 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.707 6.234 -0.017 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.611 7.674 0.493 1.00 20.00 C HETATM 2613 C15 ACD A 300 1.840 8.584 0.464 1.00 20.00 C HETATM 2614 C16 ACD A 300 3.175 8.063 -0.073 1.00 20.00 C HETATM 2615 C17 ACD A 300 3.061 7.813 -1.578 1.00 20.00 C HETATM 2616 C18 ACD A 300 2.625 9.093 -2.296 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.414 8.771 -3.777 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.038 10.032 -4.558 1.00 20.00 C HETATM 2619 O1 ACD A 300 -0.731 12.157 -11.619 1.00 20.00 O HETATM 2620 O2 ACD A 300 1.227 11.464 -12.429 1.00 20.00 O HETATM 0 H203 ACD A 300 1.115 10.449 -4.154 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.838 10.767 -4.469 1.00 20.00 H new HETATM 0 H201 ACD A 300 1.893 9.780 -5.608 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.324 8.338 -4.193 1.00 20.00 H new HETATM 0 H191 ACD A 300 1.628 8.024 -3.883 1.00 20.00 H new HETATM 0 H182 ACD A 300 1.705 9.479 -1.857 1.00 20.00 H new HETATM 0 H181 ACD A 300 3.382 9.869 -2.181 1.00 20.00 H new HETATM 0 H172 ACD A 300 4.020 7.475 -1.971 1.00 20.00 H new HETATM 0 H171 ACD A 300 2.341 7.017 -1.768 1.00 20.00 H new HETATM 0 H162 ACD A 300 3.966 8.786 0.127 1.00 20.00 H new HETATM 0 H161 ACD A 300 3.449 7.141 0.439 1.00 20.00 H new HETATM 0 H132 ACD A 300 0.961 5.553 0.796 1.00 20.00 H new HETATM 0 H131 ACD A 300 1.493 6.142 -0.767 1.00 20.00 H new HETATM 0 H102 ACD A 300 0.652 7.733 -2.081 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.783 8.490 -2.745 1.00 20.00 H new HETATM 0 HO2 ACD A 300 2.099 11.301 -12.013 1.00 20.00 H new HETATM 0 H9 ACD A 300 0.530 6.009 -4.143 1.00 20.00 H new HETATM 0 H8 ACD A 300 0.155 7.462 -6.272 1.00 20.00 H new HETATM 0 H72 ACD A 300 0.017 10.007 -5.540 1.00 20.00 H new HETATM 0 H71 ACD A 300 -0.935 9.507 -4.156 1.00 20.00 H new HETATM 0 H6 ACD A 300 -2.953 9.213 -5.574 1.00 20.00 H new HETATM 0 H5 ACD A 300 -2.794 9.636 -8.148 1.00 20.00 H new HETATM 0 H42 ACD A 300 -0.040 8.802 -8.368 1.00 20.00 H new HETATM 0 H41 ACD A 300 0.137 10.364 -7.593 1.00 20.00 H new HETATM 0 H32 ACD A 300 -1.282 11.391 -9.427 1.00 20.00 H new HETATM 0 H31 ACD A 300 -1.339 9.830 -10.221 1.00 20.00 H new HETATM 0 H22 ACD A 300 1.138 9.827 -10.459 1.00 20.00 H new HETATM 0 H21 ACD A 300 1.247 11.340 -9.583 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.765 9.609 0.828 1.00 20.00 H new HETATM 0 H14 ACD A 300 -0.336 8.052 0.878 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.295 5.157 -0.106 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.106 6.255 -2.329 1.00 20.00 H new