USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=52 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 51 TYR OH : rot -130:sc= -0.535 USER MOD Set 1.2: A 64 THR OG1 : rot 119:sc= 1.21 USER MOD Set 1.3: A 83 LYS NZ :NH3+ 151:sc= -0.407 (180deg=-1.47!) USER MOD Set 2.1: A 76 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 300 ACD O2 : rot -55:sc= -1.03 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 172:sc= -0.399 (180deg=-0.553) USER MOD Set 3.2: A 57 ASN : amide:sc= -0.0262 X(o=-0.43,f=-0.55) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -162:sc= -1.97! (180deg=-3.06!) USER MOD Set 4.2: A 32 MET CE :methyl 143:sc= -1.14 (180deg=-1.41) USER MOD Set 5.1: A 21 ASN : amide:sc= -0.516 X(o=-2.7,f=-2.9!) USER MOD Set 5.2: A 110 HIS : no HE2:sc= -2.15! K(o=-2.7!,f=-1.8) USER MOD Set 6.1: A 20 SER OG : rot 27:sc= 0.00705 USER MOD Set 6.2: A 111 MET CE :methyl 153:sc= -0.0311 (180deg=-1.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0675 (180deg=-0.501) USER MOD Single : A 2 THR OG1 : rot -42:sc= 0.131! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -168:sc= -3.3! USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= -1.12 (180deg=-3.71!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.147) USER MOD Single : A 34 MET CE :methyl -136:sc= -4.22 (180deg=-12.5!) USER MOD Single : A 36 MET CE :methyl 168:sc= -0.352 (180deg=-0.745) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -1.26 (180deg=-1.73) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= -0.363 (180deg=-2.98!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= -1.27 (180deg=-2.74!) USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= -0.463 (180deg=-1.51!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 70 SER OG : rot 66:sc= 0.119 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 84:sc= 1.29 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.688) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 92 TYR OH : rot 164:sc= -4.92! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 82:sc= 0.448 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= -3.3! USER MOD Single : A 101 THR OG1 : rot -70:sc= -0.146 USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= -0.878 (180deg=-2.91!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 148:sc= -0.0243 (180deg=-0.622) USER MOD Single : A 115 TYR OH : rot -20:sc= -3.9! USER MOD Single : A 116 SER OG : rot -140:sc= 1.68 USER MOD Single : A 118 SER OG : rot 180:sc= -0.503 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 131 LYS NZ :NH3+ 162:sc= -0.0137 (180deg=-0.228) USER MOD Single : A 137 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.0411 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl -136:sc= -0.646 (180deg=-4.11!) USER MOD Single : A 145 MET CE :methyl -115:sc= -0.278 (180deg=-0.577) USER MOD Single : A 149 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.713 19.499 -23.869 1.00 0.00 N ATOM 2 CA MET A 1 0.500 20.054 -24.531 1.00 52.33 C ATOM 3 C MET A 1 -0.747 19.452 -23.890 1.00 72.55 C ATOM 4 O MET A 1 -1.566 18.833 -24.567 1.00 2.15 O ATOM 5 CB MET A 1 0.533 19.714 -26.023 1.00 33.13 C ATOM 6 CG MET A 1 1.773 20.339 -26.663 1.00 24.32 C ATOM 7 SD MET A 1 1.748 20.038 -28.447 1.00 65.04 S ATOM 8 CE MET A 1 3.434 20.596 -28.795 1.00 21.43 C ATOM 0 H1 MET A 1 2.534 20.099 -24.089 1.00 0.00 H new ATOM 0 H2 MET A 1 1.567 19.476 -22.840 1.00 0.00 H new ATOM 0 H3 MET A 1 1.887 18.534 -24.216 1.00 0.00 H new ATOM 0 HA MET A 1 0.479 21.137 -24.410 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.546 18.633 -26.160 1.00 33.13 H new ATOM 0 HB3 MET A 1 -0.368 20.086 -26.511 1.00 33.13 H new ATOM 0 HG2 MET A 1 1.797 21.411 -26.465 1.00 24.32 H new ATOM 0 HG3 MET A 1 2.675 19.913 -26.224 1.00 24.32 H new ATOM 0 HE1 MET A 1 3.638 20.496 -29.861 1.00 21.43 H new ATOM 0 HE2 MET A 1 3.539 21.641 -28.502 1.00 21.43 H new ATOM 0 HE3 MET A 1 4.142 19.988 -28.232 1.00 21.43 H new ATOM 20 N THR A 2 -0.881 19.638 -22.581 1.00 53.23 N ATOM 21 CA THR A 2 -2.033 19.106 -21.861 1.00 10.40 C ATOM 22 C THR A 2 -2.143 19.744 -20.479 1.00 24.00 C ATOM 23 O THR A 2 -2.314 19.049 -19.478 1.00 54.11 O ATOM 24 CB THR A 2 -1.902 17.586 -21.720 1.00 53.33 C ATOM 25 OG1 THR A 2 -1.405 17.042 -22.935 1.00 24.30 O ATOM 26 CG2 THR A 2 -3.270 16.975 -21.407 1.00 71.25 C ATOM 0 H THR A 2 -0.214 20.148 -22.002 1.00 53.23 H new ATOM 0 HA THR A 2 -2.934 19.341 -22.427 1.00 10.40 H new ATOM 0 HB THR A 2 -1.213 17.356 -20.907 1.00 53.33 H new ATOM 0 HG1 THR A 2 -1.850 17.474 -23.693 1.00 24.30 H new ATOM 0 HG21 THR A 2 -3.172 15.894 -21.308 1.00 71.25 H new ATOM 0 HG22 THR A 2 -3.650 17.392 -20.474 1.00 71.25 H new ATOM 0 HG23 THR A 2 -3.964 17.203 -22.216 1.00 71.25 H new ATOM 34 N VAL A 3 -2.044 21.073 -20.439 1.00 33.43 N ATOM 35 CA VAL A 3 -2.130 21.821 -19.182 1.00 44.34 C ATOM 36 C VAL A 3 -1.545 21.018 -18.018 1.00 22.34 C ATOM 37 O VAL A 3 -2.259 20.608 -17.105 1.00 54.24 O ATOM 38 CB VAL A 3 -3.595 22.199 -18.898 1.00 2.41 C ATOM 39 CG1 VAL A 3 -4.492 20.963 -19.037 1.00 10.21 C ATOM 40 CG2 VAL A 3 -3.729 22.787 -17.478 1.00 52.20 C ATOM 0 H VAL A 3 -1.904 21.656 -21.264 1.00 33.43 H new ATOM 0 HA VAL A 3 -1.541 22.732 -19.283 1.00 44.34 H new ATOM 0 HB VAL A 3 -3.909 22.951 -19.622 1.00 2.41 H new ATOM 0 HG11 VAL A 3 -5.527 21.240 -18.834 1.00 10.21 H new ATOM 0 HG12 VAL A 3 -4.414 20.569 -20.050 1.00 10.21 H new ATOM 0 HG13 VAL A 3 -4.174 20.201 -18.325 1.00 10.21 H new ATOM 0 HG21 VAL A 3 -4.770 23.050 -17.290 1.00 52.20 H new ATOM 0 HG22 VAL A 3 -3.404 22.048 -16.746 1.00 52.20 H new ATOM 0 HG23 VAL A 3 -3.108 23.679 -17.393 1.00 52.20 H new ATOM 50 N PRO A 4 -0.257 20.795 -18.039 1.00 33.23 N ATOM 51 CA PRO A 4 0.450 20.029 -16.970 1.00 50.24 C ATOM 52 C PRO A 4 0.054 20.497 -15.570 1.00 72.31 C ATOM 53 O PRO A 4 -0.475 21.594 -15.398 1.00 41.02 O ATOM 54 CB PRO A 4 1.930 20.306 -17.252 1.00 23.44 C ATOM 55 CG PRO A 4 1.998 20.587 -18.718 1.00 63.04 C ATOM 56 CD PRO A 4 0.669 21.247 -19.091 1.00 1.02 C ATOM 0 HA PRO A 4 0.202 18.968 -16.987 1.00 50.24 H new ATOM 0 HB2 PRO A 4 2.291 21.154 -16.670 1.00 23.44 H new ATOM 0 HB3 PRO A 4 2.550 19.450 -16.985 1.00 23.44 H new ATOM 0 HG2 PRO A 4 2.837 21.244 -18.949 1.00 63.04 H new ATOM 0 HG3 PRO A 4 2.148 19.667 -19.284 1.00 63.04 H new ATOM 0 HD2 PRO A 4 0.754 22.334 -19.109 1.00 1.02 H new ATOM 0 HD3 PRO A 4 0.332 20.937 -20.080 1.00 1.02 H new ATOM 64 N ASP A 5 0.317 19.657 -14.573 1.00 54.52 N ATOM 65 CA ASP A 5 -0.015 19.996 -13.194 1.00 62.11 C ATOM 66 C ASP A 5 0.658 19.030 -12.223 1.00 24.51 C ATOM 67 O ASP A 5 0.373 19.039 -11.025 1.00 24.13 O ATOM 68 CB ASP A 5 -1.532 19.947 -12.996 1.00 62.43 C ATOM 69 CG ASP A 5 -2.056 18.554 -13.326 1.00 24.33 C ATOM 70 OD1 ASP A 5 -1.269 17.739 -13.778 1.00 64.54 O ATOM 71 OD2 ASP A 5 -3.235 18.323 -13.121 1.00 25.41 O ATOM 0 H ASP A 5 0.756 18.744 -14.693 1.00 54.52 H new ATOM 0 HA ASP A 5 0.347 21.004 -12.992 1.00 62.11 H new ATOM 0 HB2 ASP A 5 -1.781 20.204 -11.966 1.00 62.43 H new ATOM 0 HB3 ASP A 5 -2.015 20.687 -13.635 1.00 62.43 H new ATOM 76 N ARG A 6 1.553 18.198 -12.746 1.00 51.20 N ATOM 77 CA ARG A 6 2.261 17.229 -11.917 1.00 61.22 C ATOM 78 C ARG A 6 3.165 17.940 -10.914 1.00 53.24 C ATOM 79 O ARG A 6 3.307 17.507 -9.771 1.00 0.33 O ATOM 80 CB ARG A 6 3.102 16.307 -12.802 1.00 31.54 C ATOM 81 CG ARG A 6 2.179 15.369 -13.587 1.00 2.44 C ATOM 82 CD ARG A 6 2.942 14.774 -14.775 1.00 34.54 C ATOM 83 NE ARG A 6 4.344 14.572 -14.425 1.00 71.40 N ATOM 84 CZ ARG A 6 5.221 14.142 -15.326 1.00 61.22 C ATOM 85 NH1 ARG A 6 4.834 13.892 -16.547 1.00 0.53 N ATOM 86 NH2 ARG A 6 6.470 13.970 -14.989 1.00 4.30 N ATOM 0 H ARG A 6 1.804 18.175 -13.734 1.00 51.20 H new ATOM 0 HA ARG A 6 1.526 16.639 -11.369 1.00 61.22 H new ATOM 0 HB2 ARG A 6 3.707 16.898 -13.489 1.00 31.54 H new ATOM 0 HB3 ARG A 6 3.791 15.727 -12.189 1.00 31.54 H new ATOM 0 HG2 ARG A 6 1.817 14.572 -12.938 1.00 2.44 H new ATOM 0 HG3 ARG A 6 1.304 15.915 -13.940 1.00 2.44 H new ATOM 0 HD2 ARG A 6 2.492 13.825 -15.066 1.00 34.54 H new ATOM 0 HD3 ARG A 6 2.867 15.440 -15.635 1.00 34.54 H new ATOM 0 HE ARG A 6 4.656 14.764 -13.473 1.00 71.40 H new ATOM 0 HH11 ARG A 6 3.858 14.027 -16.810 1.00 0.53 H new ATOM 0 HH12 ARG A 6 5.508 13.562 -17.238 1.00 0.53 H new ATOM 0 HH21 ARG A 6 6.772 14.166 -14.035 1.00 4.30 H new ATOM 0 HH22 ARG A 6 7.144 13.640 -15.680 1.00 4.30 H new ATOM 100 N SER A 7 3.775 19.033 -11.355 1.00 33.12 N ATOM 101 CA SER A 7 4.668 19.808 -10.500 1.00 73.44 C ATOM 102 C SER A 7 3.908 20.428 -9.331 1.00 23.32 C ATOM 103 O SER A 7 4.472 20.646 -8.259 1.00 74.32 O ATOM 104 CB SER A 7 5.338 20.913 -11.317 1.00 20.22 C ATOM 105 OG SER A 7 6.180 21.680 -10.466 1.00 0.43 O ATOM 0 H SER A 7 3.668 19.403 -12.299 1.00 33.12 H new ATOM 0 HA SER A 7 5.426 19.134 -10.101 1.00 73.44 H new ATOM 0 HB2 SER A 7 5.921 20.478 -12.129 1.00 20.22 H new ATOM 0 HB3 SER A 7 4.583 21.553 -11.774 1.00 20.22 H new ATOM 0 HG SER A 7 6.613 22.389 -10.986 1.00 0.43 H new ATOM 111 N GLU A 8 2.634 20.734 -9.553 1.00 52.21 N ATOM 112 CA GLU A 8 1.814 21.356 -8.517 1.00 63.21 C ATOM 113 C GLU A 8 1.738 20.491 -7.260 1.00 54.05 C ATOM 114 O GLU A 8 1.975 20.979 -6.155 1.00 53.03 O ATOM 115 CB GLU A 8 0.402 21.598 -9.053 1.00 5.41 C ATOM 116 CG GLU A 8 0.464 22.555 -10.245 1.00 55.14 C ATOM 117 CD GLU A 8 -0.944 22.842 -10.755 1.00 1.44 C ATOM 118 OE1 GLU A 8 -1.860 22.167 -10.317 1.00 31.32 O ATOM 119 OE2 GLU A 8 -1.085 23.734 -11.576 1.00 60.21 O ATOM 0 H GLU A 8 2.149 20.563 -10.434 1.00 52.21 H new ATOM 0 HA GLU A 8 2.281 22.303 -8.248 1.00 63.21 H new ATOM 0 HB2 GLU A 8 -0.050 20.653 -9.355 1.00 5.41 H new ATOM 0 HB3 GLU A 8 -0.229 22.017 -8.269 1.00 5.41 H new ATOM 0 HG2 GLU A 8 0.950 23.485 -9.951 1.00 55.14 H new ATOM 0 HG3 GLU A 8 1.067 22.119 -11.042 1.00 55.14 H new ATOM 126 N ILE A 9 1.403 19.212 -7.421 1.00 21.51 N ATOM 127 CA ILE A 9 1.301 18.317 -6.266 1.00 20.35 C ATOM 128 C ILE A 9 2.634 17.652 -5.965 1.00 42.42 C ATOM 129 O ILE A 9 2.998 17.467 -4.804 1.00 3.11 O ATOM 130 CB ILE A 9 0.249 17.230 -6.511 1.00 32.33 C ATOM 131 CG1 ILE A 9 -0.042 16.508 -5.187 1.00 13.11 C ATOM 132 CG2 ILE A 9 0.781 16.222 -7.533 1.00 52.32 C ATOM 133 CD1 ILE A 9 -1.002 15.333 -5.416 1.00 74.22 C ATOM 0 H ILE A 9 1.201 18.777 -8.321 1.00 21.51 H new ATOM 0 HA ILE A 9 1.005 18.927 -5.412 1.00 20.35 H new ATOM 0 HB ILE A 9 -0.665 17.684 -6.894 1.00 32.33 H new ATOM 0 HG12 ILE A 9 0.889 16.145 -4.751 1.00 13.11 H new ATOM 0 HG13 ILE A 9 -0.477 17.207 -4.473 1.00 13.11 H new ATOM 0 HG21 ILE A 9 0.032 15.450 -7.706 1.00 52.32 H new ATOM 0 HG22 ILE A 9 0.998 16.734 -8.470 1.00 52.32 H new ATOM 0 HG23 ILE A 9 1.693 15.764 -7.151 1.00 52.32 H new ATOM 0 HD11 ILE A 9 -1.197 14.833 -4.468 1.00 74.22 H new ATOM 0 HD12 ILE A 9 -1.939 15.704 -5.830 1.00 74.22 H new ATOM 0 HD13 ILE A 9 -0.552 14.626 -6.113 1.00 74.22 H new ATOM 145 N ALA A 10 3.352 17.276 -7.016 1.00 72.40 N ATOM 146 CA ALA A 10 4.630 16.614 -6.821 1.00 60.00 C ATOM 147 C ALA A 10 5.498 17.441 -5.894 1.00 70.33 C ATOM 148 O ALA A 10 5.560 18.665 -6.014 1.00 13.24 O ATOM 149 CB ALA A 10 5.342 16.349 -8.149 1.00 32.45 C ATOM 0 H ALA A 10 3.078 17.415 -7.989 1.00 72.40 H new ATOM 0 HA ALA A 10 4.444 15.643 -6.363 1.00 60.00 H new ATOM 0 HB1 ALA A 10 6.294 15.853 -7.959 1.00 32.45 H new ATOM 0 HB2 ALA A 10 4.719 15.711 -8.775 1.00 32.45 H new ATOM 0 HB3 ALA A 10 5.522 17.295 -8.661 1.00 32.45 H new ATOM 155 N GLY A 11 6.146 16.771 -4.947 1.00 0.21 N ATOM 156 CA GLY A 11 6.987 17.446 -3.970 1.00 53.25 C ATOM 157 C GLY A 11 6.380 17.285 -2.581 1.00 72.23 C ATOM 158 O GLY A 11 7.101 17.191 -1.588 1.00 35.34 O ATOM 0 H GLY A 11 6.103 15.758 -4.837 1.00 0.21 H new ATOM 0 HA2 GLY A 11 7.993 17.028 -3.990 1.00 53.25 H new ATOM 0 HA3 GLY A 11 7.076 18.503 -4.219 1.00 53.25 H new ATOM 162 N LYS A 12 5.045 17.233 -2.526 1.00 11.13 N ATOM 163 CA LYS A 12 4.338 17.068 -1.254 1.00 24.45 C ATOM 164 C LYS A 12 2.896 16.594 -1.469 1.00 62.22 C ATOM 165 O LYS A 12 2.051 17.363 -1.928 1.00 50.53 O ATOM 166 CB LYS A 12 4.299 18.400 -0.492 1.00 62.54 C ATOM 167 CG LYS A 12 5.695 18.776 0.016 1.00 74.44 C ATOM 168 CD LYS A 12 5.569 19.839 1.110 1.00 24.43 C ATOM 169 CE LYS A 12 6.960 20.349 1.491 1.00 21.21 C ATOM 170 NZ LYS A 12 6.828 21.550 2.362 1.00 70.44 N ATOM 0 H LYS A 12 4.437 17.302 -3.342 1.00 11.13 H new ATOM 0 HA LYS A 12 4.879 16.316 -0.680 1.00 24.45 H new ATOM 0 HB2 LYS A 12 3.920 19.187 -1.144 1.00 62.54 H new ATOM 0 HB3 LYS A 12 3.609 18.323 0.349 1.00 62.54 H new ATOM 0 HG2 LYS A 12 6.201 17.894 0.408 1.00 74.44 H new ATOM 0 HG3 LYS A 12 6.303 19.154 -0.806 1.00 74.44 H new ATOM 0 HD2 LYS A 12 4.951 20.665 0.759 1.00 24.43 H new ATOM 0 HD3 LYS A 12 5.072 19.419 1.984 1.00 24.43 H new ATOM 0 HE2 LYS A 12 7.515 19.569 2.011 1.00 21.21 H new ATOM 0 HE3 LYS A 12 7.526 20.598 0.593 1.00 21.21 H new ATOM 0 HZ1 LYS A 12 7.774 21.897 2.621 1.00 70.44 H new ATOM 0 HZ2 LYS A 12 6.314 22.295 1.850 1.00 70.44 H new ATOM 0 HZ3 LYS A 12 6.304 21.298 3.224 1.00 70.44 H new ATOM 184 N TRP A 13 2.599 15.347 -1.085 1.00 11.35 N ATOM 185 CA TRP A 13 1.237 14.815 -1.191 1.00 74.30 C ATOM 186 C TRP A 13 0.735 14.595 0.235 1.00 52.15 C ATOM 187 O TRP A 13 1.433 13.983 1.044 1.00 4.13 O ATOM 188 CB TRP A 13 1.266 13.462 -1.931 1.00 12.43 C ATOM 189 CG TRP A 13 1.624 13.638 -3.351 1.00 2.51 C ATOM 190 CD1 TRP A 13 2.710 14.282 -3.812 1.00 41.34 C ATOM 191 CD2 TRP A 13 0.913 13.131 -4.513 1.00 41.43 C ATOM 192 NE1 TRP A 13 2.715 14.190 -5.180 1.00 64.01 N ATOM 193 CE2 TRP A 13 1.640 13.480 -5.657 1.00 20.04 C ATOM 194 CE3 TRP A 13 -0.273 12.398 -4.680 1.00 63.42 C ATOM 195 CZ2 TRP A 13 1.230 13.114 -6.931 1.00 74.32 C ATOM 196 CZ3 TRP A 13 -0.706 12.032 -5.967 1.00 60.42 C ATOM 197 CH2 TRP A 13 0.051 12.384 -7.093 1.00 3.11 C ATOM 0 H TRP A 13 3.279 14.692 -0.700 1.00 11.35 H new ATOM 0 HA TRP A 13 0.592 15.501 -1.739 1.00 74.30 H new ATOM 0 HB2 TRP A 13 1.985 12.798 -1.452 1.00 12.43 H new ATOM 0 HB3 TRP A 13 0.290 12.983 -1.856 1.00 12.43 H new ATOM 0 HD1 TRP A 13 3.451 14.785 -3.209 1.00 41.34 H new ATOM 0 HE1 TRP A 13 3.434 14.601 -5.775 1.00 64.01 H new ATOM 0 HE3 TRP A 13 -0.855 12.114 -3.816 1.00 63.42 H new ATOM 0 HZ2 TRP A 13 1.819 13.392 -7.792 1.00 74.32 H new ATOM 0 HZ3 TRP A 13 -1.625 11.478 -6.088 1.00 60.42 H new ATOM 0 HH2 TRP A 13 -0.276 12.092 -8.080 1.00 3.11 H new ATOM 208 N TYR A 14 -0.435 15.132 0.574 1.00 5.14 N ATOM 209 CA TYR A 14 -0.945 15.011 1.946 1.00 44.20 C ATOM 210 C TYR A 14 -1.989 13.904 2.080 1.00 43.20 C ATOM 211 O TYR A 14 -2.971 13.878 1.349 1.00 10.22 O ATOM 212 CB TYR A 14 -1.577 16.360 2.357 1.00 70.40 C ATOM 213 CG TYR A 14 -0.732 17.062 3.397 1.00 64.34 C ATOM 214 CD1 TYR A 14 -0.427 16.414 4.594 1.00 4.22 C ATOM 215 CD2 TYR A 14 -0.269 18.362 3.169 1.00 51.41 C ATOM 216 CE1 TYR A 14 0.347 17.058 5.565 1.00 14.02 C ATOM 217 CE2 TYR A 14 0.501 19.008 4.139 1.00 32.44 C ATOM 218 CZ TYR A 14 0.810 18.357 5.337 1.00 30.22 C ATOM 219 OH TYR A 14 1.572 18.996 6.295 1.00 54.24 O ATOM 0 H TYR A 14 -1.041 15.646 -0.065 1.00 5.14 H new ATOM 0 HA TYR A 14 -0.110 14.752 2.597 1.00 44.20 H new ATOM 0 HB2 TYR A 14 -1.684 16.998 1.479 1.00 70.40 H new ATOM 0 HB3 TYR A 14 -2.579 16.191 2.752 1.00 70.40 H new ATOM 0 HD1 TYR A 14 -0.789 15.412 4.772 1.00 4.22 H new ATOM 0 HD2 TYR A 14 -0.507 18.866 2.244 1.00 51.41 H new ATOM 0 HE1 TYR A 14 0.586 16.553 6.489 1.00 14.02 H new ATOM 0 HE2 TYR A 14 0.858 20.012 3.963 1.00 32.44 H new ATOM 0 HH TYR A 14 1.813 19.891 5.978 1.00 54.24 H new ATOM 229 N VAL A 15 -1.776 13.009 3.045 1.00 4.53 N ATOM 230 CA VAL A 15 -2.712 11.915 3.305 1.00 71.33 C ATOM 231 C VAL A 15 -3.521 12.229 4.562 1.00 53.32 C ATOM 232 O VAL A 15 -2.997 12.142 5.672 1.00 20.53 O ATOM 233 CB VAL A 15 -1.936 10.613 3.523 1.00 53.40 C ATOM 234 CG1 VAL A 15 -2.895 9.505 3.968 1.00 74.51 C ATOM 235 CG2 VAL A 15 -1.250 10.200 2.222 1.00 64.10 C ATOM 0 H VAL A 15 -0.962 13.020 3.660 1.00 4.53 H new ATOM 0 HA VAL A 15 -3.381 11.803 2.451 1.00 71.33 H new ATOM 0 HB VAL A 15 -1.184 10.771 4.296 1.00 53.40 H new ATOM 0 HG11 VAL A 15 -2.337 8.581 4.122 1.00 74.51 H new ATOM 0 HG12 VAL A 15 -3.379 9.796 4.900 1.00 74.51 H new ATOM 0 HG13 VAL A 15 -3.652 9.348 3.199 1.00 74.51 H new ATOM 0 HG21 VAL A 15 -0.698 9.273 2.380 1.00 64.10 H new ATOM 0 HG22 VAL A 15 -2.001 10.048 1.447 1.00 64.10 H new ATOM 0 HG23 VAL A 15 -0.560 10.984 1.910 1.00 64.10 H new ATOM 245 N VAL A 16 -4.790 12.606 4.391 1.00 25.41 N ATOM 246 CA VAL A 16 -5.635 12.943 5.541 1.00 3.42 C ATOM 247 C VAL A 16 -6.754 11.937 5.737 1.00 0.22 C ATOM 248 O VAL A 16 -7.257 11.769 6.847 1.00 73.32 O ATOM 249 CB VAL A 16 -6.259 14.324 5.357 1.00 22.02 C ATOM 250 CG1 VAL A 16 -5.214 15.277 4.780 1.00 51.45 C ATOM 251 CG2 VAL A 16 -7.450 14.246 4.391 1.00 14.31 C ATOM 0 H VAL A 16 -5.250 12.685 3.484 1.00 25.41 H new ATOM 0 HA VAL A 16 -4.990 12.930 6.419 1.00 3.42 H new ATOM 0 HB VAL A 16 -6.605 14.686 6.325 1.00 22.02 H new ATOM 0 HG11 VAL A 16 -5.656 16.264 4.647 1.00 51.45 H new ATOM 0 HG12 VAL A 16 -4.368 15.347 5.464 1.00 51.45 H new ATOM 0 HG13 VAL A 16 -4.871 14.900 3.816 1.00 51.45 H new ATOM 0 HG21 VAL A 16 -7.885 15.238 4.269 1.00 14.31 H new ATOM 0 HG22 VAL A 16 -7.110 13.878 3.423 1.00 14.31 H new ATOM 0 HG23 VAL A 16 -8.201 13.567 4.794 1.00 14.31 H new ATOM 261 N ALA A 17 -7.158 11.288 4.658 1.00 23.12 N ATOM 262 CA ALA A 17 -8.238 10.314 4.723 1.00 1.31 C ATOM 263 C ALA A 17 -7.708 8.924 4.429 1.00 43.24 C ATOM 264 O ALA A 17 -6.747 8.756 3.676 1.00 62.14 O ATOM 265 CB ALA A 17 -9.328 10.695 3.717 1.00 64.12 C ATOM 0 H ALA A 17 -6.757 11.416 3.729 1.00 23.12 H new ATOM 0 HA ALA A 17 -8.663 10.313 5.727 1.00 1.31 H new ATOM 0 HB1 ALA A 17 -10.138 9.967 3.764 1.00 64.12 H new ATOM 0 HB2 ALA A 17 -9.716 11.685 3.958 1.00 64.12 H new ATOM 0 HB3 ALA A 17 -8.908 10.705 2.711 1.00 64.12 H new ATOM 271 N LEU A 18 -8.375 7.935 5.002 1.00 31.44 N ATOM 272 CA LEU A 18 -7.995 6.549 4.786 1.00 1.30 C ATOM 273 C LEU A 18 -9.193 5.622 4.933 1.00 42.24 C ATOM 274 O LEU A 18 -10.141 5.916 5.660 1.00 2.25 O ATOM 275 CB LEU A 18 -6.902 6.141 5.777 1.00 74.04 C ATOM 276 CG LEU A 18 -6.453 4.688 5.494 1.00 52.40 C ATOM 277 CD1 LEU A 18 -4.928 4.581 5.609 1.00 43.23 C ATOM 278 CD2 LEU A 18 -7.111 3.723 6.495 1.00 35.25 C ATOM 0 H LEU A 18 -9.178 8.065 5.617 1.00 31.44 H new ATOM 0 HA LEU A 18 -7.614 6.460 3.769 1.00 1.30 H new ATOM 0 HB2 LEU A 18 -6.051 6.817 5.693 1.00 74.04 H new ATOM 0 HB3 LEU A 18 -7.275 6.224 6.798 1.00 74.04 H new ATOM 0 HG LEU A 18 -6.761 4.419 4.484 1.00 52.40 H new ATOM 0 HD11 LEU A 18 -4.619 3.555 5.408 1.00 43.23 H new ATOM 0 HD12 LEU A 18 -4.461 5.249 4.885 1.00 43.23 H new ATOM 0 HD13 LEU A 18 -4.618 4.863 6.615 1.00 43.23 H new ATOM 0 HD21 LEU A 18 -6.787 2.704 6.285 1.00 35.25 H new ATOM 0 HD22 LEU A 18 -6.818 3.995 7.509 1.00 35.25 H new ATOM 0 HD23 LEU A 18 -8.195 3.785 6.401 1.00 35.25 H new ATOM 290 N ALA A 19 -9.124 4.492 4.242 1.00 24.41 N ATOM 291 CA ALA A 19 -10.184 3.499 4.293 1.00 63.42 C ATOM 292 C ALA A 19 -9.602 2.122 4.001 1.00 63.33 C ATOM 293 O ALA A 19 -8.604 2.003 3.295 1.00 42.42 O ATOM 294 CB ALA A 19 -11.279 3.836 3.271 1.00 14.53 C ATOM 0 H ALA A 19 -8.341 4.241 3.638 1.00 24.41 H new ATOM 0 HA ALA A 19 -10.628 3.500 5.288 1.00 63.42 H new ATOM 0 HB1 ALA A 19 -12.066 3.084 3.320 1.00 14.53 H new ATOM 0 HB2 ALA A 19 -11.699 4.816 3.497 1.00 14.53 H new ATOM 0 HB3 ALA A 19 -10.850 3.847 2.269 1.00 14.53 H new ATOM 300 N SER A 20 -10.221 1.088 4.545 1.00 0.51 N ATOM 301 CA SER A 20 -9.731 -0.268 4.323 1.00 4.42 C ATOM 302 C SER A 20 -10.762 -1.301 4.738 1.00 32.13 C ATOM 303 O SER A 20 -11.820 -0.967 5.264 1.00 33.34 O ATOM 304 CB SER A 20 -8.438 -0.489 5.110 1.00 3.13 C ATOM 305 OG SER A 20 -7.732 -1.591 4.555 1.00 70.42 O ATOM 0 H SER A 20 -11.051 1.155 5.135 1.00 0.51 H new ATOM 0 HA SER A 20 -9.538 -0.386 3.257 1.00 4.42 H new ATOM 0 HB2 SER A 20 -7.820 0.408 5.075 1.00 3.13 H new ATOM 0 HB3 SER A 20 -8.665 -0.679 6.159 1.00 3.13 H new ATOM 0 HG SER A 20 -7.961 -1.682 3.607 1.00 70.42 H new ATOM 311 N ASN A 21 -10.423 -2.565 4.530 1.00 0.42 N ATOM 312 CA ASN A 21 -11.301 -3.664 4.915 1.00 41.14 C ATOM 313 C ASN A 21 -10.662 -4.404 6.062 1.00 45.11 C ATOM 314 O ASN A 21 -11.297 -5.205 6.747 1.00 13.02 O ATOM 315 CB ASN A 21 -11.535 -4.609 3.735 1.00 20.01 C ATOM 316 CG ASN A 21 -12.731 -5.512 4.019 1.00 34.54 C ATOM 317 OD1 ASN A 21 -13.284 -5.485 5.118 1.00 64.24 O ATOM 318 ND2 ASN A 21 -13.165 -6.316 3.086 1.00 21.31 N ATOM 0 H ASN A 21 -9.547 -2.857 4.097 1.00 0.42 H new ATOM 0 HA ASN A 21 -12.270 -3.270 5.220 1.00 41.14 H new ATOM 0 HB2 ASN A 21 -11.711 -4.033 2.827 1.00 20.01 H new ATOM 0 HB3 ASN A 21 -10.645 -5.214 3.561 1.00 20.01 H new ATOM 0 HD21 ASN A 21 -13.964 -6.923 3.267 1.00 21.31 H new ATOM 0 HD22 ASN A 21 -12.705 -6.337 2.176 1.00 21.31 H new ATOM 325 N THR A 22 -9.398 -4.093 6.275 1.00 44.35 N ATOM 326 CA THR A 22 -8.650 -4.684 7.354 1.00 1.21 C ATOM 327 C THR A 22 -8.966 -3.920 8.644 1.00 74.35 C ATOM 328 O THR A 22 -8.502 -2.798 8.846 1.00 43.53 O ATOM 329 CB THR A 22 -7.158 -4.624 7.011 1.00 12.11 C ATOM 330 OG1 THR A 22 -6.805 -5.779 6.266 1.00 20.14 O ATOM 331 CG2 THR A 22 -6.325 -4.574 8.281 1.00 42.02 C ATOM 0 H THR A 22 -8.870 -3.430 5.708 1.00 44.35 H new ATOM 0 HA THR A 22 -8.923 -5.729 7.499 1.00 1.21 H new ATOM 0 HB THR A 22 -6.964 -3.725 6.425 1.00 12.11 H new ATOM 0 HG1 THR A 22 -5.829 -5.844 6.206 1.00 20.14 H new ATOM 0 HG21 THR A 22 -5.267 -4.532 8.021 1.00 42.02 H new ATOM 0 HG22 THR A 22 -6.593 -3.688 8.857 1.00 42.02 H new ATOM 0 HG23 THR A 22 -6.517 -5.466 8.877 1.00 42.02 H new ATOM 339 N GLU A 23 -9.799 -4.521 9.485 1.00 74.11 N ATOM 340 CA GLU A 23 -10.227 -3.883 10.729 1.00 5.13 C ATOM 341 C GLU A 23 -9.060 -3.221 11.459 1.00 54.41 C ATOM 342 O GLU A 23 -9.245 -2.222 12.156 1.00 64.23 O ATOM 343 CB GLU A 23 -10.868 -4.925 11.646 1.00 61.01 C ATOM 344 CG GLU A 23 -12.019 -5.614 10.911 1.00 70.33 C ATOM 345 CD GLU A 23 -12.725 -6.590 11.845 1.00 42.41 C ATOM 346 OE1 GLU A 23 -12.279 -6.729 12.972 1.00 32.22 O ATOM 347 OE2 GLU A 23 -13.702 -7.185 11.421 1.00 34.10 O ATOM 0 H GLU A 23 -10.193 -5.449 9.330 1.00 74.11 H new ATOM 0 HA GLU A 23 -10.949 -3.108 10.472 1.00 5.13 H new ATOM 0 HB2 GLU A 23 -10.125 -5.662 11.952 1.00 61.01 H new ATOM 0 HB3 GLU A 23 -11.236 -4.448 12.554 1.00 61.01 H new ATOM 0 HG2 GLU A 23 -12.727 -4.869 10.548 1.00 70.33 H new ATOM 0 HG3 GLU A 23 -11.638 -6.144 10.038 1.00 70.33 H new ATOM 354 N PHE A 24 -7.868 -3.781 11.314 1.00 24.12 N ATOM 355 CA PHE A 24 -6.693 -3.234 11.986 1.00 32.22 C ATOM 356 C PHE A 24 -6.396 -1.794 11.545 1.00 52.03 C ATOM 357 O PHE A 24 -6.067 -0.948 12.376 1.00 74.33 O ATOM 358 CB PHE A 24 -5.479 -4.129 11.708 1.00 73.33 C ATOM 359 CG PHE A 24 -4.217 -3.473 12.216 1.00 63.21 C ATOM 360 CD1 PHE A 24 -3.531 -2.561 11.403 1.00 62.14 C ATOM 361 CD2 PHE A 24 -3.728 -3.781 13.489 1.00 74.51 C ATOM 362 CE1 PHE A 24 -2.357 -1.958 11.866 1.00 43.44 C ATOM 363 CE2 PHE A 24 -2.554 -3.177 13.953 1.00 60.14 C ATOM 364 CZ PHE A 24 -1.868 -2.266 13.141 1.00 60.30 C ATOM 0 H PHE A 24 -7.687 -4.607 10.743 1.00 24.12 H new ATOM 0 HA PHE A 24 -6.901 -3.211 13.056 1.00 32.22 H new ATOM 0 HB2 PHE A 24 -5.614 -5.097 12.191 1.00 73.33 H new ATOM 0 HB3 PHE A 24 -5.394 -4.316 10.638 1.00 73.33 H new ATOM 0 HD1 PHE A 24 -3.909 -2.324 10.419 1.00 62.14 H new ATOM 0 HD2 PHE A 24 -4.256 -4.485 14.114 1.00 74.51 H new ATOM 0 HE1 PHE A 24 -1.828 -1.255 11.240 1.00 43.44 H new ATOM 0 HE2 PHE A 24 -2.177 -3.414 14.937 1.00 60.14 H new ATOM 0 HZ PHE A 24 -0.961 -1.801 13.498 1.00 60.30 H new ATOM 374 N PHE A 25 -6.477 -1.519 10.242 1.00 42.42 N ATOM 375 CA PHE A 25 -6.173 -0.183 9.721 1.00 21.15 C ATOM 376 C PHE A 25 -7.178 0.878 10.188 1.00 75.20 C ATOM 377 O PHE A 25 -6.780 1.957 10.628 1.00 52.44 O ATOM 378 CB PHE A 25 -6.150 -0.238 8.180 1.00 4.10 C ATOM 379 CG PHE A 25 -4.723 -0.221 7.679 1.00 60.03 C ATOM 380 CD1 PHE A 25 -3.988 -1.410 7.602 1.00 21.21 C ATOM 381 CD2 PHE A 25 -4.139 0.988 7.293 1.00 52.25 C ATOM 382 CE1 PHE A 25 -2.667 -1.385 7.137 1.00 70.01 C ATOM 383 CE2 PHE A 25 -2.819 1.014 6.830 1.00 0.24 C ATOM 384 CZ PHE A 25 -2.083 -0.172 6.751 1.00 14.41 C ATOM 0 H PHE A 25 -6.749 -2.198 9.531 1.00 42.42 H new ATOM 0 HA PHE A 25 -5.199 0.111 10.111 1.00 21.15 H new ATOM 0 HB2 PHE A 25 -6.654 -1.140 7.833 1.00 4.10 H new ATOM 0 HB3 PHE A 25 -6.697 0.611 7.770 1.00 4.10 H new ATOM 0 HD1 PHE A 25 -4.439 -2.345 7.901 1.00 21.21 H new ATOM 0 HD2 PHE A 25 -4.708 1.904 7.352 1.00 52.25 H new ATOM 0 HE1 PHE A 25 -2.099 -2.301 7.076 1.00 70.01 H new ATOM 0 HE2 PHE A 25 -2.369 1.950 6.534 1.00 0.24 H new ATOM 0 HZ PHE A 25 -1.064 -0.153 6.392 1.00 14.41 H new ATOM 394 N LEU A 26 -8.470 0.578 10.099 1.00 12.43 N ATOM 395 CA LEU A 26 -9.484 1.543 10.531 1.00 34.53 C ATOM 396 C LEU A 26 -9.383 1.742 12.038 1.00 2.45 C ATOM 397 O LEU A 26 -9.662 2.820 12.562 1.00 61.41 O ATOM 398 CB LEU A 26 -10.914 1.082 10.154 1.00 54.13 C ATOM 399 CG LEU A 26 -10.907 -0.373 9.662 1.00 31.12 C ATOM 400 CD1 LEU A 26 -12.316 -0.967 9.793 1.00 1.03 C ATOM 401 CD2 LEU A 26 -10.476 -0.413 8.191 1.00 21.53 C ATOM 0 H LEU A 26 -8.837 -0.304 9.741 1.00 12.43 H new ATOM 0 HA LEU A 26 -9.296 2.485 10.016 1.00 34.53 H new ATOM 0 HB2 LEU A 26 -11.571 1.175 11.019 1.00 54.13 H new ATOM 0 HB3 LEU A 26 -11.317 1.731 9.377 1.00 54.13 H new ATOM 0 HG LEU A 26 -10.209 -0.954 10.264 1.00 31.12 H new ATOM 0 HD11 LEU A 26 -12.310 -1.999 9.444 1.00 1.03 H new ATOM 0 HD12 LEU A 26 -12.627 -0.939 10.837 1.00 1.03 H new ATOM 0 HD13 LEU A 26 -13.014 -0.385 9.191 1.00 1.03 H new ATOM 0 HD21 LEU A 26 -10.471 -1.445 7.841 1.00 21.53 H new ATOM 0 HD22 LEU A 26 -11.175 0.170 7.591 1.00 21.53 H new ATOM 0 HD23 LEU A 26 -9.475 0.008 8.093 1.00 21.53 H new ATOM 413 N ARG A 27 -8.984 0.681 12.718 1.00 61.24 N ATOM 414 CA ARG A 27 -8.844 0.720 14.164 1.00 62.11 C ATOM 415 C ARG A 27 -7.735 1.685 14.582 1.00 73.41 C ATOM 416 O ARG A 27 -7.925 2.506 15.479 1.00 22.32 O ATOM 417 CB ARG A 27 -8.529 -0.681 14.692 1.00 32.31 C ATOM 418 CG ARG A 27 -8.500 -0.663 16.222 1.00 12.51 C ATOM 419 CD ARG A 27 -8.228 -2.077 16.741 1.00 12.43 C ATOM 420 NE ARG A 27 -8.224 -2.088 18.199 1.00 44.02 N ATOM 421 CZ ARG A 27 -8.238 -3.230 18.878 1.00 2.11 C ATOM 422 NH1 ARG A 27 -8.256 -4.368 18.238 1.00 32.54 N ATOM 423 NH2 ARG A 27 -8.232 -3.215 20.183 1.00 64.03 N ATOM 0 H ARG A 27 -8.752 -0.217 12.293 1.00 61.24 H new ATOM 0 HA ARG A 27 -9.785 1.071 14.588 1.00 62.11 H new ATOM 0 HB2 ARG A 27 -9.280 -1.389 14.342 1.00 32.31 H new ATOM 0 HB3 ARG A 27 -7.568 -1.018 14.305 1.00 32.31 H new ATOM 0 HG2 ARG A 27 -7.728 0.021 16.574 1.00 12.51 H new ATOM 0 HG3 ARG A 27 -9.450 -0.297 16.611 1.00 12.51 H new ATOM 0 HD2 ARG A 27 -8.989 -2.762 16.367 1.00 12.43 H new ATOM 0 HD3 ARG A 27 -7.268 -2.432 16.365 1.00 12.43 H new ATOM 0 HE ARG A 27 -8.210 -1.203 18.707 1.00 44.02 H new ATOM 0 HH11 ARG A 27 -8.259 -4.380 17.218 1.00 32.54 H new ATOM 0 HH12 ARG A 27 -8.267 -5.245 18.758 1.00 32.54 H new ATOM 0 HH21 ARG A 27 -8.217 -2.326 20.683 1.00 64.03 H new ATOM 0 HH22 ARG A 27 -8.243 -4.092 20.703 1.00 64.03 H new ATOM 437 N GLU A 28 -6.563 1.552 13.962 1.00 61.12 N ATOM 438 CA GLU A 28 -5.421 2.392 14.328 1.00 72.22 C ATOM 439 C GLU A 28 -5.379 3.735 13.591 1.00 61.24 C ATOM 440 O GLU A 28 -5.048 4.751 14.199 1.00 25.15 O ATOM 441 CB GLU A 28 -4.122 1.632 14.056 1.00 34.41 C ATOM 442 CG GLU A 28 -4.043 0.406 14.969 1.00 20.22 C ATOM 443 CD GLU A 28 -2.634 -0.174 14.940 1.00 32.23 C ATOM 444 OE1 GLU A 28 -1.838 0.293 14.141 1.00 4.12 O ATOM 445 OE2 GLU A 28 -2.370 -1.078 15.716 1.00 23.34 O ATOM 0 H GLU A 28 -6.379 0.882 13.215 1.00 61.12 H new ATOM 0 HA GLU A 28 -5.534 2.619 15.388 1.00 72.22 H new ATOM 0 HB2 GLU A 28 -4.082 1.323 13.011 1.00 34.41 H new ATOM 0 HB3 GLU A 28 -3.265 2.283 14.229 1.00 34.41 H new ATOM 0 HG2 GLU A 28 -4.310 0.684 15.989 1.00 20.22 H new ATOM 0 HG3 GLU A 28 -4.762 -0.346 14.645 1.00 20.22 H new ATOM 452 N LYS A 29 -5.682 3.777 12.298 1.00 62.34 N ATOM 453 CA LYS A 29 -5.615 5.051 11.582 1.00 12.14 C ATOM 454 C LYS A 29 -6.627 6.052 12.126 1.00 12.10 C ATOM 455 O LYS A 29 -6.362 7.254 12.164 1.00 42.03 O ATOM 456 CB LYS A 29 -5.853 4.832 10.085 1.00 12.14 C ATOM 457 CG LYS A 29 -4.631 4.144 9.440 1.00 54.21 C ATOM 458 CD LYS A 29 -3.356 5.014 9.513 1.00 52.41 C ATOM 459 CE LYS A 29 -3.663 6.481 9.179 1.00 71.02 C ATOM 460 NZ LYS A 29 -2.391 7.191 8.865 1.00 4.24 N ATOM 0 H LYS A 29 -5.968 2.974 11.737 1.00 62.34 H new ATOM 0 HA LYS A 29 -4.617 5.463 11.733 1.00 12.14 H new ATOM 0 HB2 LYS A 29 -6.743 4.220 9.938 1.00 12.14 H new ATOM 0 HB3 LYS A 29 -6.040 5.788 9.596 1.00 12.14 H new ATOM 0 HG2 LYS A 29 -4.447 3.193 9.940 1.00 54.21 H new ATOM 0 HG3 LYS A 29 -4.854 3.918 8.397 1.00 54.21 H new ATOM 0 HD2 LYS A 29 -2.925 4.949 10.512 1.00 52.41 H new ATOM 0 HD3 LYS A 29 -2.610 4.629 8.818 1.00 52.41 H new ATOM 0 HE2 LYS A 29 -4.344 6.538 8.330 1.00 71.02 H new ATOM 0 HE3 LYS A 29 -4.163 6.961 10.021 1.00 71.02 H new ATOM 0 HZ1 LYS A 29 -2.399 8.131 9.311 1.00 4.24 H new ATOM 0 HZ2 LYS A 29 -1.587 6.641 9.230 1.00 4.24 H new ATOM 0 HZ3 LYS A 29 -2.298 7.297 7.835 1.00 4.24 H new ATOM 474 N ASP A 30 -7.775 5.558 12.556 1.00 61.12 N ATOM 475 CA ASP A 30 -8.804 6.428 13.107 1.00 31.04 C ATOM 476 C ASP A 30 -8.243 7.179 14.304 1.00 22.34 C ATOM 477 O ASP A 30 -8.807 8.176 14.757 1.00 75.40 O ATOM 478 CB ASP A 30 -10.021 5.606 13.534 1.00 54.12 C ATOM 479 CG ASP A 30 -11.115 6.529 14.059 1.00 34.40 C ATOM 480 OD1 ASP A 30 -10.992 7.729 13.870 1.00 31.51 O ATOM 481 OD2 ASP A 30 -12.061 6.024 14.641 1.00 43.42 O ATOM 0 H ASP A 30 -8.019 4.568 12.536 1.00 61.12 H new ATOM 0 HA ASP A 30 -9.115 7.140 12.343 1.00 31.04 H new ATOM 0 HB2 ASP A 30 -10.395 5.029 12.688 1.00 54.12 H new ATOM 0 HB3 ASP A 30 -9.735 4.892 14.306 1.00 54.12 H new ATOM 486 N LYS A 31 -7.130 6.669 14.819 1.00 11.42 N ATOM 487 CA LYS A 31 -6.477 7.258 15.979 1.00 74.21 C ATOM 488 C LYS A 31 -5.325 8.180 15.566 1.00 35.44 C ATOM 489 O LYS A 31 -4.976 9.101 16.305 1.00 11.52 O ATOM 490 CB LYS A 31 -5.960 6.119 16.880 1.00 14.20 C ATOM 491 CG LYS A 31 -5.059 6.650 18.021 1.00 55.22 C ATOM 492 CD LYS A 31 -3.615 6.157 17.840 1.00 42.03 C ATOM 493 CE LYS A 31 -2.960 6.857 16.647 1.00 54.34 C ATOM 494 NZ LYS A 31 -1.502 6.545 16.647 1.00 63.23 N ATOM 0 H LYS A 31 -6.660 5.844 14.448 1.00 11.42 H new ATOM 0 HA LYS A 31 -7.197 7.869 16.523 1.00 74.21 H new ATOM 0 HB2 LYS A 31 -6.806 5.581 17.306 1.00 14.20 H new ATOM 0 HB3 LYS A 31 -5.399 5.405 16.277 1.00 14.20 H new ATOM 0 HG2 LYS A 31 -5.079 7.740 18.031 1.00 55.22 H new ATOM 0 HG3 LYS A 31 -5.446 6.315 18.984 1.00 55.22 H new ATOM 0 HD2 LYS A 31 -3.041 6.353 18.745 1.00 42.03 H new ATOM 0 HD3 LYS A 31 -3.609 5.078 17.686 1.00 42.03 H new ATOM 0 HE2 LYS A 31 -3.417 6.523 15.716 1.00 54.34 H new ATOM 0 HE3 LYS A 31 -3.115 7.934 16.710 1.00 54.34 H new ATOM 0 HZ1 LYS A 31 -1.000 7.234 16.051 1.00 63.23 H new ATOM 0 HZ2 LYS A 31 -1.136 6.596 17.619 1.00 63.23 H new ATOM 0 HZ3 LYS A 31 -1.352 5.587 16.271 1.00 63.23 H new ATOM 508 N MET A 32 -4.736 7.956 14.390 1.00 30.10 N ATOM 509 CA MET A 32 -3.623 8.800 13.942 1.00 72.42 C ATOM 510 C MET A 32 -4.121 10.136 13.407 1.00 62.55 C ATOM 511 O MET A 32 -5.299 10.472 13.522 1.00 33.21 O ATOM 512 CB MET A 32 -2.818 8.061 12.844 1.00 13.44 C ATOM 513 CG MET A 32 -1.458 7.575 13.386 1.00 2.54 C ATOM 514 SD MET A 32 -1.001 6.027 12.568 1.00 1.31 S ATOM 515 CE MET A 32 -1.949 4.935 13.654 1.00 35.13 C ATOM 0 H MET A 32 -5.002 7.215 13.742 1.00 30.10 H new ATOM 0 HA MET A 32 -2.980 8.999 14.799 1.00 72.42 H new ATOM 0 HB2 MET A 32 -3.392 7.210 12.478 1.00 13.44 H new ATOM 0 HB3 MET A 32 -2.658 8.726 11.996 1.00 13.44 H new ATOM 0 HG2 MET A 32 -0.693 8.331 13.210 1.00 2.54 H new ATOM 0 HG3 MET A 32 -1.516 7.426 14.464 1.00 2.54 H new ATOM 0 HE1 MET A 32 -2.372 4.118 13.069 1.00 35.13 H new ATOM 0 HE2 MET A 32 -1.293 4.529 14.424 1.00 35.13 H new ATOM 0 HE3 MET A 32 -2.754 5.499 14.124 1.00 35.13 H new ATOM 525 N LYS A 33 -3.195 10.888 12.820 1.00 62.22 N ATOM 526 CA LYS A 33 -3.505 12.193 12.254 1.00 53.41 C ATOM 527 C LYS A 33 -3.011 12.261 10.813 1.00 73.13 C ATOM 528 O LYS A 33 -2.784 11.234 10.175 1.00 14.11 O ATOM 529 CB LYS A 33 -2.825 13.288 13.078 1.00 34.43 C ATOM 530 CG LYS A 33 -3.307 13.215 14.532 1.00 63.31 C ATOM 531 CD LYS A 33 -2.317 13.951 15.440 1.00 1.24 C ATOM 532 CE LYS A 33 -2.980 14.254 16.785 1.00 65.24 C ATOM 533 NZ LYS A 33 -3.362 12.976 17.450 1.00 24.45 N ATOM 0 H LYS A 33 -2.218 10.612 12.724 1.00 62.22 H new ATOM 0 HA LYS A 33 -4.585 12.343 12.273 1.00 53.41 H new ATOM 0 HB2 LYS A 33 -1.742 13.168 13.037 1.00 34.43 H new ATOM 0 HB3 LYS A 33 -3.053 14.268 12.658 1.00 34.43 H new ATOM 0 HG2 LYS A 33 -4.298 13.661 14.620 1.00 63.31 H new ATOM 0 HG3 LYS A 33 -3.397 12.174 14.844 1.00 63.31 H new ATOM 0 HD2 LYS A 33 -1.426 13.342 15.592 1.00 1.24 H new ATOM 0 HD3 LYS A 33 -1.993 14.878 14.966 1.00 1.24 H new ATOM 0 HE2 LYS A 33 -2.297 14.817 17.421 1.00 65.24 H new ATOM 0 HE3 LYS A 33 -3.862 14.876 16.636 1.00 65.24 H new ATOM 0 HZ1 LYS A 33 -3.590 13.159 18.448 1.00 24.45 H new ATOM 0 HZ2 LYS A 33 -4.193 12.572 16.973 1.00 24.45 H new ATOM 0 HZ3 LYS A 33 -2.570 12.305 17.393 1.00 24.45 H new ATOM 547 N MET A 34 -2.879 13.475 10.299 1.00 52.04 N ATOM 548 CA MET A 34 -2.454 13.702 8.933 1.00 41.01 C ATOM 549 C MET A 34 -1.043 13.188 8.642 1.00 31.30 C ATOM 550 O MET A 34 -0.105 13.439 9.398 1.00 25.12 O ATOM 551 CB MET A 34 -2.473 15.211 8.717 1.00 51.41 C ATOM 552 CG MET A 34 -2.366 15.536 7.229 1.00 3.23 C ATOM 553 SD MET A 34 -3.149 17.138 6.890 1.00 10.01 S ATOM 554 CE MET A 34 -4.820 16.737 7.463 1.00 72.31 C ATOM 0 H MET A 34 -3.065 14.330 10.822 1.00 52.04 H new ATOM 0 HA MET A 34 -3.126 13.160 8.267 1.00 41.01 H new ATOM 0 HB2 MET A 34 -3.393 15.631 9.123 1.00 51.41 H new ATOM 0 HB3 MET A 34 -1.646 15.673 9.257 1.00 51.41 H new ATOM 0 HG2 MET A 34 -1.319 15.562 6.928 1.00 3.23 H new ATOM 0 HG3 MET A 34 -2.847 14.754 6.641 1.00 3.23 H new ATOM 0 HE1 MET A 34 -5.550 17.117 6.749 1.00 72.31 H new ATOM 0 HE2 MET A 34 -4.925 15.656 7.550 1.00 72.31 H new ATOM 0 HE3 MET A 34 -4.991 17.197 8.436 1.00 72.31 H new ATOM 564 N ALA A 35 -0.906 12.492 7.507 1.00 10.11 N ATOM 565 CA ALA A 35 0.384 11.965 7.067 1.00 23.14 C ATOM 566 C ALA A 35 0.809 12.714 5.804 1.00 12.22 C ATOM 567 O ALA A 35 -0.013 13.375 5.176 1.00 13.14 O ATOM 568 CB ALA A 35 0.270 10.460 6.784 1.00 71.43 C ATOM 0 H ALA A 35 -1.679 12.282 6.876 1.00 10.11 H new ATOM 0 HA ALA A 35 1.131 12.107 7.848 1.00 23.14 H new ATOM 0 HB1 ALA A 35 1.237 10.077 6.457 1.00 71.43 H new ATOM 0 HB2 ALA A 35 -0.037 9.941 7.692 1.00 71.43 H new ATOM 0 HB3 ALA A 35 -0.470 10.292 6.002 1.00 71.43 H new ATOM 574 N MET A 36 2.087 12.631 5.441 1.00 63.32 N ATOM 575 CA MET A 36 2.586 13.342 4.259 1.00 43.35 C ATOM 576 C MET A 36 3.392 12.410 3.350 1.00 13.15 C ATOM 577 O MET A 36 3.829 11.338 3.766 1.00 70.33 O ATOM 578 CB MET A 36 3.467 14.533 4.697 1.00 11.10 C ATOM 579 CG MET A 36 3.863 14.387 6.171 1.00 54.52 C ATOM 580 SD MET A 36 2.478 14.869 7.228 1.00 24.42 S ATOM 581 CE MET A 36 3.096 14.121 8.754 1.00 34.32 C ATOM 0 H MET A 36 2.791 12.086 5.939 1.00 63.32 H new ATOM 0 HA MET A 36 1.727 13.708 3.696 1.00 43.35 H new ATOM 0 HB2 MET A 36 4.361 14.580 4.076 1.00 11.10 H new ATOM 0 HB3 MET A 36 2.926 15.468 4.549 1.00 11.10 H new ATOM 0 HG2 MET A 36 4.150 13.356 6.380 1.00 54.52 H new ATOM 0 HG3 MET A 36 4.731 15.010 6.387 1.00 54.52 H new ATOM 0 HE1 MET A 36 2.503 14.473 9.598 1.00 34.32 H new ATOM 0 HE2 MET A 36 3.019 13.036 8.684 1.00 34.32 H new ATOM 0 HE3 MET A 36 4.139 14.402 8.901 1.00 34.32 H new ATOM 591 N ALA A 37 3.565 12.837 2.098 1.00 23.03 N ATOM 592 CA ALA A 37 4.303 12.045 1.116 1.00 4.22 C ATOM 593 C ALA A 37 4.885 12.926 0.006 1.00 14.13 C ATOM 594 O ALA A 37 4.455 14.058 -0.192 1.00 55.43 O ATOM 595 CB ALA A 37 3.368 10.999 0.502 1.00 43.11 C ATOM 0 H ALA A 37 3.206 13.723 1.742 1.00 23.03 H new ATOM 0 HA ALA A 37 5.132 11.556 1.627 1.00 4.22 H new ATOM 0 HB1 ALA A 37 3.916 10.407 -0.231 1.00 43.11 H new ATOM 0 HB2 ALA A 37 2.989 10.345 1.287 1.00 43.11 H new ATOM 0 HB3 ALA A 37 2.533 11.500 0.012 1.00 43.11 H new ATOM 601 N ARG A 38 5.875 12.388 -0.709 1.00 71.23 N ATOM 602 CA ARG A 38 6.524 13.119 -1.799 1.00 71.55 C ATOM 603 C ARG A 38 6.732 12.179 -2.975 1.00 41.13 C ATOM 604 O ARG A 38 7.183 11.051 -2.790 1.00 54.42 O ATOM 605 CB ARG A 38 7.875 13.668 -1.335 1.00 44.23 C ATOM 606 CG ARG A 38 7.696 14.417 -0.013 1.00 31.14 C ATOM 607 CD ARG A 38 8.995 15.142 0.342 1.00 71.12 C ATOM 608 NE ARG A 38 10.131 14.238 0.207 1.00 14.31 N ATOM 609 CZ ARG A 38 11.338 14.580 0.646 1.00 0.45 C ATOM 610 NH1 ARG A 38 11.522 15.742 1.212 1.00 52.25 N ATOM 611 NH2 ARG A 38 12.340 13.756 0.510 1.00 50.34 N ATOM 0 H ARG A 38 6.244 11.450 -0.553 1.00 71.23 H new ATOM 0 HA ARG A 38 5.890 13.953 -2.100 1.00 71.55 H new ATOM 0 HB2 ARG A 38 8.587 12.852 -1.209 1.00 44.23 H new ATOM 0 HB3 ARG A 38 8.287 14.337 -2.091 1.00 44.23 H new ATOM 0 HG2 ARG A 38 6.878 15.133 -0.096 1.00 31.14 H new ATOM 0 HG3 ARG A 38 7.428 13.718 0.780 1.00 31.14 H new ATOM 0 HD2 ARG A 38 9.128 16.005 -0.311 1.00 71.12 H new ATOM 0 HD3 ARG A 38 8.941 15.520 1.363 1.00 71.12 H new ATOM 0 HE ARG A 38 9.997 13.327 -0.232 1.00 14.31 H new ATOM 0 HH11 ARG A 38 10.739 16.388 1.317 1.00 52.25 H new ATOM 0 HH12 ARG A 38 12.448 16.004 1.549 1.00 52.25 H new ATOM 0 HH21 ARG A 38 12.197 12.849 0.067 1.00 50.34 H new ATOM 0 HH22 ARG A 38 13.266 14.019 0.847 1.00 50.34 H new ATOM 625 N ILE A 39 6.378 12.622 -4.179 1.00 41.44 N ATOM 626 CA ILE A 39 6.491 11.808 -5.383 1.00 43.23 C ATOM 627 C ILE A 39 7.474 12.454 -6.354 1.00 20.53 C ATOM 628 O ILE A 39 7.514 13.679 -6.467 1.00 42.23 O ATOM 629 CB ILE A 39 5.108 11.757 -5.983 1.00 63.50 C ATOM 630 CG1 ILE A 39 4.984 10.798 -7.165 1.00 44.50 C ATOM 631 CG2 ILE A 39 4.737 13.124 -6.443 1.00 14.25 C ATOM 632 CD1 ILE A 39 3.505 10.383 -7.274 1.00 31.03 C ATOM 0 H ILE A 39 6.005 13.556 -4.346 1.00 41.44 H new ATOM 0 HA ILE A 39 6.861 10.806 -5.163 1.00 43.23 H new ATOM 0 HB ILE A 39 4.441 11.389 -5.204 1.00 63.50 H new ATOM 0 HG12 ILE A 39 5.316 11.279 -8.085 1.00 44.50 H new ATOM 0 HG13 ILE A 39 5.617 9.923 -7.017 1.00 44.50 H new ATOM 0 HG21 ILE A 39 3.738 13.102 -6.880 1.00 14.25 H new ATOM 0 HG22 ILE A 39 4.748 13.809 -5.595 1.00 14.25 H new ATOM 0 HG23 ILE A 39 5.453 13.463 -7.192 1.00 14.25 H new ATOM 0 HD11 ILE A 39 3.381 9.696 -8.111 1.00 31.03 H new ATOM 0 HD12 ILE A 39 3.196 9.891 -6.352 1.00 31.03 H new ATOM 0 HD13 ILE A 39 2.890 11.268 -7.437 1.00 31.03 H new ATOM 644 N SER A 40 8.265 11.655 -7.052 1.00 43.21 N ATOM 645 CA SER A 40 9.219 12.218 -8.001 1.00 34.01 C ATOM 646 C SER A 40 9.335 11.334 -9.234 1.00 3.51 C ATOM 647 O SER A 40 9.123 10.124 -9.167 1.00 21.34 O ATOM 648 CB SER A 40 10.573 12.397 -7.329 1.00 15.42 C ATOM 649 OG SER A 40 11.359 11.229 -7.521 1.00 73.23 O ATOM 0 H SER A 40 8.269 10.637 -6.985 1.00 43.21 H new ATOM 0 HA SER A 40 8.860 13.195 -8.325 1.00 34.01 H new ATOM 0 HB2 SER A 40 11.085 13.265 -7.745 1.00 15.42 H new ATOM 0 HB3 SER A 40 10.439 12.587 -6.264 1.00 15.42 H new ATOM 0 HG SER A 40 12.231 11.347 -7.089 1.00 73.23 H new ATOM 655 N PHE A 41 9.620 11.961 -10.372 1.00 33.43 N ATOM 656 CA PHE A 41 9.699 11.238 -11.636 1.00 3.22 C ATOM 657 C PHE A 41 11.091 10.689 -11.942 1.00 61.31 C ATOM 658 O PHE A 41 11.891 11.341 -12.614 1.00 63.23 O ATOM 659 CB PHE A 41 9.266 12.161 -12.773 1.00 44.51 C ATOM 660 CG PHE A 41 7.806 12.508 -12.605 1.00 2.51 C ATOM 661 CD1 PHE A 41 7.433 13.610 -11.828 1.00 74.50 C ATOM 662 CD2 PHE A 41 6.825 11.725 -13.226 1.00 14.20 C ATOM 663 CE1 PHE A 41 6.079 13.929 -11.670 1.00 32.43 C ATOM 664 CE2 PHE A 41 5.471 12.044 -13.069 1.00 52.42 C ATOM 665 CZ PHE A 41 5.098 13.146 -12.290 1.00 30.32 C ATOM 0 H PHE A 41 9.799 12.963 -10.444 1.00 33.43 H new ATOM 0 HA PHE A 41 9.034 10.379 -11.545 1.00 3.22 H new ATOM 0 HB2 PHE A 41 9.870 13.068 -12.770 1.00 44.51 H new ATOM 0 HB3 PHE A 41 9.428 11.673 -13.734 1.00 44.51 H new ATOM 0 HD1 PHE A 41 8.190 14.215 -11.350 1.00 74.50 H new ATOM 0 HD2 PHE A 41 7.113 10.875 -13.826 1.00 14.20 H new ATOM 0 HE1 PHE A 41 5.791 14.779 -11.070 1.00 32.43 H new ATOM 0 HE2 PHE A 41 4.715 11.440 -13.548 1.00 52.42 H new ATOM 0 HZ PHE A 41 4.054 13.392 -12.167 1.00 30.32 H new ATOM 675 N LEU A 42 11.352 9.464 -11.495 1.00 2.12 N ATOM 676 CA LEU A 42 12.631 8.823 -11.791 1.00 72.44 C ATOM 677 C LEU A 42 12.736 8.673 -13.300 1.00 54.23 C ATOM 678 O LEU A 42 13.752 8.990 -13.918 1.00 51.04 O ATOM 679 CB LEU A 42 12.707 7.426 -11.167 1.00 61.51 C ATOM 680 CG LEU A 42 12.545 7.497 -9.648 1.00 61.51 C ATOM 681 CD1 LEU A 42 12.209 6.097 -9.119 1.00 63.32 C ATOM 682 CD2 LEU A 42 13.849 7.986 -9.007 1.00 63.11 C ATOM 0 H LEU A 42 10.709 8.903 -10.936 1.00 2.12 H new ATOM 0 HA LEU A 42 13.437 9.432 -11.383 1.00 72.44 H new ATOM 0 HB2 LEU A 42 11.928 6.791 -11.590 1.00 61.51 H new ATOM 0 HB3 LEU A 42 13.663 6.965 -11.414 1.00 61.51 H new ATOM 0 HG LEU A 42 11.744 8.192 -9.398 1.00 61.51 H new ATOM 0 HD11 LEU A 42 12.091 6.136 -8.036 1.00 63.32 H new ATOM 0 HD12 LEU A 42 11.281 5.750 -9.573 1.00 63.32 H new ATOM 0 HD13 LEU A 42 13.016 5.409 -9.372 1.00 63.32 H new ATOM 0 HD21 LEU A 42 13.727 8.034 -7.925 1.00 63.11 H new ATOM 0 HD22 LEU A 42 14.656 7.295 -9.251 1.00 63.11 H new ATOM 0 HD23 LEU A 42 14.093 8.977 -9.389 1.00 63.11 H new ATOM 694 N GLY A 43 11.640 8.188 -13.871 1.00 60.32 N ATOM 695 CA GLY A 43 11.522 7.977 -15.304 1.00 4.13 C ATOM 696 C GLY A 43 10.049 7.823 -15.669 1.00 10.42 C ATOM 697 O GLY A 43 9.221 7.534 -14.806 1.00 70.23 O ATOM 0 H GLY A 43 10.804 7.929 -13.347 1.00 60.32 H new ATOM 0 HA2 GLY A 43 11.957 8.818 -15.844 1.00 4.13 H new ATOM 0 HA3 GLY A 43 12.077 7.087 -15.599 1.00 4.13 H new ATOM 701 N GLU A 44 9.718 8.024 -16.936 1.00 52.23 N ATOM 702 CA GLU A 44 8.329 7.910 -17.371 1.00 24.11 C ATOM 703 C GLU A 44 7.727 6.581 -16.923 1.00 62.20 C ATOM 704 O GLU A 44 6.509 6.453 -16.808 1.00 20.44 O ATOM 705 CB GLU A 44 8.243 8.025 -18.894 1.00 74.44 C ATOM 706 CG GLU A 44 8.743 9.405 -19.334 1.00 21.21 C ATOM 707 CD GLU A 44 10.267 9.461 -19.262 1.00 63.53 C ATOM 708 OE1 GLU A 44 10.880 8.406 -19.225 1.00 53.03 O ATOM 709 OE2 GLU A 44 10.799 10.558 -19.243 1.00 52.21 O ATOM 0 H GLU A 44 10.380 8.264 -17.674 1.00 52.23 H new ATOM 0 HA GLU A 44 7.763 8.721 -16.914 1.00 24.11 H new ATOM 0 HB2 GLU A 44 8.842 7.244 -19.362 1.00 74.44 H new ATOM 0 HB3 GLU A 44 7.214 7.878 -19.222 1.00 74.44 H new ATOM 0 HG2 GLU A 44 8.412 9.612 -20.352 1.00 21.21 H new ATOM 0 HG3 GLU A 44 8.313 10.176 -18.695 1.00 21.21 H new ATOM 716 N ASP A 45 8.586 5.593 -16.673 1.00 54.34 N ATOM 717 CA ASP A 45 8.125 4.273 -16.239 1.00 12.35 C ATOM 718 C ASP A 45 8.594 3.972 -14.818 1.00 32.33 C ATOM 719 O ASP A 45 8.493 2.837 -14.351 1.00 33.21 O ATOM 720 CB ASP A 45 8.662 3.198 -17.187 1.00 64.25 C ATOM 721 CG ASP A 45 8.115 3.423 -18.593 1.00 13.43 C ATOM 722 OD1 ASP A 45 7.000 3.903 -18.703 1.00 70.34 O ATOM 723 OD2 ASP A 45 8.820 3.108 -19.538 1.00 60.21 O ATOM 0 H ASP A 45 9.598 5.680 -16.763 1.00 54.34 H new ATOM 0 HA ASP A 45 7.035 4.271 -16.256 1.00 12.35 H new ATOM 0 HB2 ASP A 45 9.752 3.226 -17.203 1.00 64.25 H new ATOM 0 HB3 ASP A 45 8.374 2.209 -16.830 1.00 64.25 H new ATOM 728 N GLU A 46 9.108 4.991 -14.133 1.00 53.15 N ATOM 729 CA GLU A 46 9.590 4.815 -12.764 1.00 74.25 C ATOM 730 C GLU A 46 9.414 6.101 -11.958 1.00 61.30 C ATOM 731 O GLU A 46 9.808 7.174 -12.403 1.00 13.22 O ATOM 732 CB GLU A 46 11.069 4.424 -12.781 1.00 64.21 C ATOM 733 CG GLU A 46 11.251 3.127 -13.574 1.00 24.42 C ATOM 734 CD GLU A 46 12.654 2.574 -13.354 1.00 35.14 C ATOM 735 OE1 GLU A 46 13.450 3.259 -12.734 1.00 52.34 O ATOM 736 OE2 GLU A 46 12.913 1.472 -13.809 1.00 23.21 O ATOM 0 H GLU A 46 9.201 5.939 -14.498 1.00 53.15 H new ATOM 0 HA GLU A 46 9.006 4.024 -12.294 1.00 74.25 H new ATOM 0 HB2 GLU A 46 11.661 5.222 -13.230 1.00 64.21 H new ATOM 0 HB3 GLU A 46 11.432 4.292 -11.762 1.00 64.21 H new ATOM 0 HG2 GLU A 46 10.509 2.393 -13.261 1.00 24.42 H new ATOM 0 HG3 GLU A 46 11.087 3.314 -14.635 1.00 24.42 H new ATOM 743 N LEU A 47 8.833 5.975 -10.762 1.00 42.34 N ATOM 744 CA LEU A 47 8.616 7.128 -9.879 1.00 73.12 C ATOM 745 C LEU A 47 8.955 6.760 -8.434 1.00 74.24 C ATOM 746 O LEU A 47 8.788 5.614 -8.017 1.00 72.11 O ATOM 747 CB LEU A 47 7.169 7.650 -9.942 1.00 13.24 C ATOM 748 CG LEU A 47 6.511 7.320 -11.286 1.00 23.31 C ATOM 749 CD1 LEU A 47 5.061 7.800 -11.230 1.00 73.04 C ATOM 750 CD2 LEU A 47 7.232 8.035 -12.446 1.00 3.41 C ATOM 0 H LEU A 47 8.504 5.088 -10.382 1.00 42.34 H new ATOM 0 HA LEU A 47 9.276 7.922 -10.229 1.00 73.12 H new ATOM 0 HB2 LEU A 47 6.587 7.210 -9.133 1.00 13.24 H new ATOM 0 HB3 LEU A 47 7.163 8.729 -9.788 1.00 13.24 H new ATOM 0 HG LEU A 47 6.567 6.246 -11.460 1.00 23.31 H new ATOM 0 HD11 LEU A 47 4.567 7.577 -12.176 1.00 73.04 H new ATOM 0 HD12 LEU A 47 4.540 7.290 -10.420 1.00 73.04 H new ATOM 0 HD13 LEU A 47 5.040 8.876 -11.054 1.00 73.04 H new ATOM 0 HD21 LEU A 47 6.744 7.783 -13.388 1.00 3.41 H new ATOM 0 HD22 LEU A 47 7.189 9.113 -12.292 1.00 3.41 H new ATOM 0 HD23 LEU A 47 8.273 7.715 -12.480 1.00 3.41 H new ATOM 762 N LYS A 48 9.414 7.749 -7.676 1.00 13.33 N ATOM 763 CA LYS A 48 9.762 7.547 -6.270 1.00 62.51 C ATOM 764 C LYS A 48 8.704 8.181 -5.371 1.00 21.24 C ATOM 765 O LYS A 48 8.484 9.387 -5.447 1.00 54.31 O ATOM 766 CB LYS A 48 11.119 8.192 -5.979 1.00 12.22 C ATOM 767 CG LYS A 48 11.645 7.705 -4.627 1.00 14.03 C ATOM 768 CD LYS A 48 12.795 8.608 -4.171 1.00 11.31 C ATOM 769 CE LYS A 48 13.921 8.577 -5.207 1.00 11.23 C ATOM 770 NZ LYS A 48 14.150 7.174 -5.654 1.00 45.31 N ATOM 0 H LYS A 48 9.555 8.702 -8.010 1.00 13.33 H new ATOM 0 HA LYS A 48 9.811 6.477 -6.070 1.00 62.51 H new ATOM 0 HB2 LYS A 48 11.828 7.940 -6.768 1.00 12.22 H new ATOM 0 HB3 LYS A 48 11.022 9.278 -5.972 1.00 12.22 H new ATOM 0 HG2 LYS A 48 10.844 7.717 -3.888 1.00 14.03 H new ATOM 0 HG3 LYS A 48 11.989 6.674 -4.708 1.00 14.03 H new ATOM 0 HD2 LYS A 48 12.437 9.629 -4.040 1.00 11.31 H new ATOM 0 HD3 LYS A 48 13.170 8.274 -3.203 1.00 11.31 H new ATOM 0 HE2 LYS A 48 13.661 9.203 -6.060 1.00 11.23 H new ATOM 0 HE3 LYS A 48 14.835 8.986 -4.778 1.00 11.23 H new ATOM 0 HZ1 LYS A 48 15.053 7.116 -6.166 1.00 45.31 H new ATOM 0 HZ2 LYS A 48 14.181 6.546 -4.825 1.00 45.31 H new ATOM 0 HZ3 LYS A 48 13.376 6.879 -6.283 1.00 45.31 H new ATOM 784 N VAL A 49 8.067 7.380 -4.502 1.00 22.31 N ATOM 785 CA VAL A 49 7.053 7.915 -3.583 1.00 23.45 C ATOM 786 C VAL A 49 7.484 7.692 -2.147 1.00 74.44 C ATOM 787 O VAL A 49 8.049 6.658 -1.789 1.00 64.34 O ATOM 788 CB VAL A 49 5.652 7.320 -3.873 1.00 44.22 C ATOM 789 CG1 VAL A 49 4.784 7.216 -2.612 1.00 43.52 C ATOM 790 CG2 VAL A 49 4.933 8.246 -4.837 1.00 54.13 C ATOM 0 H VAL A 49 8.233 6.377 -4.417 1.00 22.31 H new ATOM 0 HA VAL A 49 6.969 8.990 -3.745 1.00 23.45 H new ATOM 0 HB VAL A 49 5.798 6.318 -4.277 1.00 44.22 H new ATOM 0 HG11 VAL A 49 3.814 6.793 -2.872 1.00 43.52 H new ATOM 0 HG12 VAL A 49 5.277 6.573 -1.883 1.00 43.52 H new ATOM 0 HG13 VAL A 49 4.644 8.209 -2.184 1.00 43.52 H new ATOM 0 HG21 VAL A 49 3.943 7.846 -5.056 1.00 54.13 H new ATOM 0 HG22 VAL A 49 4.834 9.234 -4.387 1.00 54.13 H new ATOM 0 HG23 VAL A 49 5.505 8.324 -5.762 1.00 54.13 H new ATOM 800 N SER A 50 7.252 8.722 -1.353 1.00 11.12 N ATOM 801 CA SER A 50 7.646 8.734 0.043 1.00 24.33 C ATOM 802 C SER A 50 6.444 8.807 0.967 1.00 71.12 C ATOM 803 O SER A 50 5.453 9.457 0.650 1.00 3.43 O ATOM 804 CB SER A 50 8.503 9.969 0.249 1.00 43.41 C ATOM 805 OG SER A 50 9.148 9.902 1.514 1.00 33.34 O ATOM 0 H SER A 50 6.784 9.575 -1.659 1.00 11.12 H new ATOM 0 HA SER A 50 8.183 7.815 0.278 1.00 24.33 H new ATOM 0 HB2 SER A 50 9.246 10.044 -0.545 1.00 43.41 H new ATOM 0 HB3 SER A 50 7.885 10.865 0.193 1.00 43.41 H new ATOM 0 HG SER A 50 9.701 10.701 1.642 1.00 33.34 H new ATOM 811 N TYR A 51 6.541 8.147 2.121 1.00 11.22 N ATOM 812 CA TYR A 51 5.460 8.158 3.097 1.00 3.13 C ATOM 813 C TYR A 51 5.983 8.690 4.426 1.00 31.11 C ATOM 814 O TYR A 51 7.017 8.234 4.917 1.00 4.40 O ATOM 815 CB TYR A 51 4.928 6.732 3.323 1.00 53.15 C ATOM 816 CG TYR A 51 4.953 5.936 2.036 1.00 21.30 C ATOM 817 CD1 TYR A 51 6.172 5.625 1.420 1.00 4.44 C ATOM 818 CD2 TYR A 51 3.754 5.500 1.466 1.00 32.23 C ATOM 819 CE1 TYR A 51 6.189 4.885 0.236 1.00 60.25 C ATOM 820 CE2 TYR A 51 3.771 4.756 0.279 1.00 44.53 C ATOM 821 CZ TYR A 51 4.989 4.450 -0.336 1.00 34.44 C ATOM 822 OH TYR A 51 5.005 3.717 -1.505 1.00 60.41 O ATOM 0 H TYR A 51 7.356 7.600 2.399 1.00 11.22 H new ATOM 0 HA TYR A 51 4.658 8.792 2.719 1.00 3.13 H new ATOM 0 HB2 TYR A 51 5.533 6.229 4.078 1.00 53.15 H new ATOM 0 HB3 TYR A 51 3.909 6.776 3.708 1.00 53.15 H new ATOM 0 HD1 TYR A 51 7.100 5.958 1.861 1.00 4.44 H new ATOM 0 HD2 TYR A 51 2.813 5.737 1.941 1.00 32.23 H new ATOM 0 HE1 TYR A 51 7.130 4.648 -0.239 1.00 60.25 H new ATOM 0 HE2 TYR A 51 2.844 4.419 -0.161 1.00 44.53 H new ATOM 0 HH TYR A 51 4.377 4.111 -2.146 1.00 60.41 H new ATOM 832 N ALA A 52 5.268 9.641 5.009 1.00 25.33 N ATOM 833 CA ALA A 52 5.670 10.214 6.290 1.00 4.01 C ATOM 834 C ALA A 52 4.488 10.181 7.251 1.00 54.51 C ATOM 835 O ALA A 52 3.496 10.885 7.055 1.00 5.04 O ATOM 836 CB ALA A 52 6.166 11.651 6.088 1.00 34.04 C ATOM 0 H ALA A 52 4.410 10.032 4.620 1.00 25.33 H new ATOM 0 HA ALA A 52 6.485 9.628 6.714 1.00 4.01 H new ATOM 0 HB1 ALA A 52 6.464 12.071 7.048 1.00 34.04 H new ATOM 0 HB2 ALA A 52 7.021 11.649 5.412 1.00 34.04 H new ATOM 0 HB3 ALA A 52 5.366 12.255 5.660 1.00 34.04 H new ATOM 842 N VAL A 53 4.591 9.337 8.278 1.00 11.31 N ATOM 843 CA VAL A 53 3.516 9.189 9.256 1.00 4.25 C ATOM 844 C VAL A 53 3.952 9.727 10.625 1.00 33.04 C ATOM 845 O VAL A 53 5.055 9.418 11.093 1.00 1.44 O ATOM 846 CB VAL A 53 3.160 7.705 9.386 1.00 33.11 C ATOM 847 CG1 VAL A 53 1.905 7.539 10.245 1.00 24.22 C ATOM 848 CG2 VAL A 53 2.902 7.121 7.995 1.00 45.44 C ATOM 0 H VAL A 53 5.405 8.748 8.453 1.00 11.31 H new ATOM 0 HA VAL A 53 2.650 9.757 8.918 1.00 4.25 H new ATOM 0 HB VAL A 53 3.989 7.180 9.860 1.00 33.11 H new ATOM 0 HG11 VAL A 53 1.660 6.480 10.331 1.00 24.22 H new ATOM 0 HG12 VAL A 53 2.086 7.951 11.238 1.00 24.22 H new ATOM 0 HG13 VAL A 53 1.073 8.067 9.779 1.00 24.22 H new ATOM 0 HG21 VAL A 53 2.648 6.065 8.085 1.00 45.44 H new ATOM 0 HG22 VAL A 53 2.076 7.654 7.524 1.00 45.44 H new ATOM 0 HG23 VAL A 53 3.798 7.228 7.384 1.00 45.44 H new ATOM 858 N PRO A 54 3.121 10.515 11.279 1.00 52.35 N ATOM 859 CA PRO A 54 3.453 11.082 12.616 1.00 14.42 C ATOM 860 C PRO A 54 3.362 10.029 13.713 1.00 13.13 C ATOM 861 O PRO A 54 2.596 9.071 13.608 1.00 72.24 O ATOM 862 CB PRO A 54 2.403 12.180 12.816 1.00 61.14 C ATOM 863 CG PRO A 54 1.222 11.728 12.023 1.00 14.32 C ATOM 864 CD PRO A 54 1.782 10.953 10.828 1.00 4.20 C ATOM 0 HA PRO A 54 4.475 11.457 12.665 1.00 14.42 H new ATOM 0 HB2 PRO A 54 2.150 12.298 13.870 1.00 61.14 H new ATOM 0 HB3 PRO A 54 2.769 13.145 12.466 1.00 61.14 H new ATOM 0 HG2 PRO A 54 0.568 11.097 12.624 1.00 14.32 H new ATOM 0 HG3 PRO A 54 0.627 12.579 11.691 1.00 14.32 H new ATOM 0 HD2 PRO A 54 1.150 10.103 10.572 1.00 4.20 H new ATOM 0 HD3 PRO A 54 1.846 11.581 9.940 1.00 4.20 H new ATOM 872 N LYS A 55 4.149 10.215 14.764 1.00 73.41 N ATOM 873 CA LYS A 55 4.154 9.280 15.880 1.00 42.31 C ATOM 874 C LYS A 55 4.536 10.001 17.171 1.00 1.31 C ATOM 875 O LYS A 55 5.712 10.080 17.505 1.00 53.30 O ATOM 876 CB LYS A 55 5.161 8.160 15.607 1.00 74.14 C ATOM 877 CG LYS A 55 5.059 7.100 16.705 1.00 30.24 C ATOM 878 CD LYS A 55 5.843 5.854 16.286 1.00 12.50 C ATOM 879 CE LYS A 55 6.031 4.939 17.497 1.00 0.43 C ATOM 880 NZ LYS A 55 4.727 4.768 18.198 1.00 34.34 N ATOM 0 H LYS A 55 4.790 11.002 14.867 1.00 73.41 H new ATOM 0 HA LYS A 55 3.155 8.858 15.990 1.00 42.31 H new ATOM 0 HB2 LYS A 55 4.965 7.710 14.634 1.00 74.14 H new ATOM 0 HB3 LYS A 55 6.172 8.566 15.572 1.00 74.14 H new ATOM 0 HG2 LYS A 55 5.453 7.493 17.642 1.00 30.24 H new ATOM 0 HG3 LYS A 55 4.014 6.843 16.881 1.00 30.24 H new ATOM 0 HD2 LYS A 55 5.310 5.325 15.496 1.00 12.50 H new ATOM 0 HD3 LYS A 55 6.813 6.141 15.880 1.00 12.50 H new ATOM 0 HE2 LYS A 55 6.414 3.970 17.178 1.00 0.43 H new ATOM 0 HE3 LYS A 55 6.768 5.365 18.177 1.00 0.43 H new ATOM 0 HZ1 LYS A 55 4.823 4.043 18.937 1.00 34.34 H new ATOM 0 HZ2 LYS A 55 4.445 5.670 18.632 1.00 34.34 H new ATOM 0 HZ3 LYS A 55 4.002 4.472 17.514 1.00 34.34 H new ATOM 894 N PRO A 56 3.583 10.536 17.899 1.00 11.12 N ATOM 895 CA PRO A 56 3.868 11.262 19.169 1.00 63.43 C ATOM 896 C PRO A 56 4.979 10.598 19.986 1.00 21.45 C ATOM 897 O PRO A 56 5.585 11.229 20.851 1.00 21.00 O ATOM 898 CB PRO A 56 2.528 11.213 19.899 1.00 25.13 C ATOM 899 CG PRO A 56 1.500 11.223 18.810 1.00 55.31 C ATOM 900 CD PRO A 56 2.136 10.519 17.601 1.00 3.24 C ATOM 0 HA PRO A 56 4.233 12.275 18.999 1.00 63.43 H new ATOM 0 HB2 PRO A 56 2.445 10.317 20.514 1.00 25.13 H new ATOM 0 HB3 PRO A 56 2.408 12.068 20.564 1.00 25.13 H new ATOM 0 HG2 PRO A 56 0.594 10.706 19.127 1.00 55.31 H new ATOM 0 HG3 PRO A 56 1.213 12.244 18.557 1.00 55.31 H new ATOM 0 HD2 PRO A 56 1.763 9.501 17.490 1.00 3.24 H new ATOM 0 HD3 PRO A 56 1.914 11.043 16.671 1.00 3.24 H new ATOM 908 N ASN A 57 5.245 9.324 19.700 1.00 44.53 N ATOM 909 CA ASN A 57 6.290 8.581 20.407 1.00 64.23 C ATOM 910 C ASN A 57 7.533 8.435 19.531 1.00 23.11 C ATOM 911 O ASN A 57 8.334 7.520 19.720 1.00 64.11 O ATOM 912 CB ASN A 57 5.771 7.193 20.790 1.00 12.42 C ATOM 913 CG ASN A 57 4.384 7.308 21.413 1.00 43.43 C ATOM 914 OD1 ASN A 57 4.259 7.498 22.622 1.00 42.33 O ATOM 915 ND2 ASN A 57 3.328 7.205 20.653 1.00 73.42 N ATOM 0 H ASN A 57 4.754 8.786 18.986 1.00 44.53 H new ATOM 0 HA ASN A 57 6.557 9.134 21.308 1.00 64.23 H new ATOM 0 HB2 ASN A 57 5.730 6.555 19.907 1.00 12.42 H new ATOM 0 HB3 ASN A 57 6.457 6.721 21.494 1.00 12.42 H new ATOM 0 HD21 ASN A 57 2.396 7.282 21.061 1.00 73.42 H new ATOM 0 HD22 ASN A 57 3.434 7.047 19.651 1.00 73.42 H new ATOM 922 N GLY A 58 7.684 9.341 18.566 1.00 41.14 N ATOM 923 CA GLY A 58 8.828 9.309 17.655 1.00 40.05 C ATOM 924 C GLY A 58 8.409 9.715 16.242 1.00 72.43 C ATOM 925 O GLY A 58 7.473 10.493 16.061 1.00 33.42 O ATOM 0 H GLY A 58 7.030 10.105 18.395 1.00 41.14 H new ATOM 0 HA2 GLY A 58 9.605 9.983 18.016 1.00 40.05 H new ATOM 0 HA3 GLY A 58 9.257 8.307 17.638 1.00 40.05 H new ATOM 929 N CYS A 59 9.108 9.184 15.243 1.00 14.40 N ATOM 930 CA CYS A 59 8.800 9.493 13.846 1.00 33.35 C ATOM 931 C CYS A 59 9.004 8.260 12.973 1.00 41.44 C ATOM 932 O CYS A 59 9.992 7.542 13.133 1.00 42.15 O ATOM 933 CB CYS A 59 9.711 10.618 13.349 1.00 0.11 C ATOM 934 SG CYS A 59 9.328 12.146 14.239 1.00 4.12 S ATOM 0 H CYS A 59 9.889 8.540 15.371 1.00 14.40 H new ATOM 0 HA CYS A 59 7.759 9.809 13.783 1.00 33.35 H new ATOM 0 HB2 CYS A 59 10.756 10.348 13.502 1.00 0.11 H new ATOM 0 HB3 CYS A 59 9.573 10.765 12.278 1.00 0.11 H new ATOM 939 N ARG A 60 8.075 8.014 12.043 1.00 3.04 N ATOM 940 CA ARG A 60 8.194 6.855 11.153 1.00 32.43 C ATOM 941 C ARG A 60 8.134 7.297 9.694 1.00 24.23 C ATOM 942 O ARG A 60 7.091 7.742 9.213 1.00 14.42 O ATOM 943 CB ARG A 60 7.060 5.867 11.441 1.00 53.42 C ATOM 944 CG ARG A 60 7.388 4.504 10.828 1.00 71.33 C ATOM 945 CD ARG A 60 6.347 3.480 11.282 1.00 33.12 C ATOM 946 NE ARG A 60 6.658 2.164 10.734 1.00 11.54 N ATOM 947 CZ ARG A 60 6.173 1.057 11.287 1.00 44.42 C ATOM 948 NH1 ARG A 60 5.404 1.136 12.338 1.00 23.53 N ATOM 949 NH2 ARG A 60 6.467 -0.108 10.779 1.00 75.41 N ATOM 0 H ARG A 60 7.247 8.590 11.888 1.00 3.04 H new ATOM 0 HA ARG A 60 9.154 6.370 11.333 1.00 32.43 H new ATOM 0 HB2 ARG A 60 6.918 5.767 12.517 1.00 53.42 H new ATOM 0 HB3 ARG A 60 6.124 6.245 11.030 1.00 53.42 H new ATOM 0 HG2 ARG A 60 7.395 4.574 9.740 1.00 71.33 H new ATOM 0 HG3 ARG A 60 8.385 4.186 11.133 1.00 71.33 H new ATOM 0 HD2 ARG A 60 6.325 3.432 12.371 1.00 33.12 H new ATOM 0 HD3 ARG A 60 5.354 3.792 10.957 1.00 33.12 H new ATOM 0 HE ARG A 60 7.258 2.092 9.912 1.00 11.54 H new ATOM 0 HH11 ARG A 60 5.175 2.047 12.735 1.00 23.53 H new ATOM 0 HH12 ARG A 60 5.032 0.287 12.763 1.00 23.53 H new ATOM 0 HH21 ARG A 60 7.069 -0.169 9.958 1.00 75.41 H new ATOM 0 HH22 ARG A 60 6.095 -0.958 11.203 1.00 75.41 H new ATOM 963 N LYS A 61 9.261 7.167 8.992 1.00 34.13 N ATOM 964 CA LYS A 61 9.328 7.551 7.582 1.00 32.24 C ATOM 965 C LYS A 61 10.094 6.522 6.756 1.00 65.44 C ATOM 966 O LYS A 61 11.168 6.065 7.146 1.00 30.04 O ATOM 967 CB LYS A 61 9.991 8.923 7.444 1.00 40.21 C ATOM 968 CG LYS A 61 10.217 9.248 5.963 1.00 2.42 C ATOM 969 CD LYS A 61 10.577 10.728 5.815 1.00 20.13 C ATOM 970 CE LYS A 61 10.643 11.091 4.330 1.00 75.42 C ATOM 971 NZ LYS A 61 11.109 12.499 4.185 1.00 71.12 N ATOM 0 H LYS A 61 10.133 6.802 9.374 1.00 34.13 H new ATOM 0 HA LYS A 61 8.308 7.597 7.201 1.00 32.24 H new ATOM 0 HB2 LYS A 61 9.363 9.688 7.901 1.00 40.21 H new ATOM 0 HB3 LYS A 61 10.942 8.932 7.976 1.00 40.21 H new ATOM 0 HG2 LYS A 61 11.017 8.626 5.561 1.00 2.42 H new ATOM 0 HG3 LYS A 61 9.318 9.022 5.389 1.00 2.42 H new ATOM 0 HD2 LYS A 61 9.834 11.346 6.319 1.00 20.13 H new ATOM 0 HD3 LYS A 61 11.536 10.930 6.293 1.00 20.13 H new ATOM 0 HE2 LYS A 61 11.322 10.416 3.809 1.00 75.42 H new ATOM 0 HE3 LYS A 61 9.661 10.972 3.871 1.00 75.42 H new ATOM 0 HZ1 LYS A 61 10.538 12.981 3.462 1.00 71.12 H new ATOM 0 HZ2 LYS A 61 11.006 12.994 5.094 1.00 71.12 H new ATOM 0 HZ3 LYS A 61 12.109 12.506 3.898 1.00 71.12 H new ATOM 985 N TRP A 62 9.536 6.187 5.600 1.00 34.24 N ATOM 986 CA TRP A 62 10.164 5.231 4.686 1.00 72.44 C ATOM 987 C TRP A 62 9.924 5.669 3.245 1.00 74.11 C ATOM 988 O TRP A 62 9.058 6.505 2.985 1.00 73.51 O ATOM 989 CB TRP A 62 9.596 3.824 4.906 1.00 51.14 C ATOM 990 CG TRP A 62 8.132 3.820 4.605 1.00 44.14 C ATOM 991 CD1 TRP A 62 7.593 3.891 3.366 1.00 53.31 C ATOM 992 CD2 TRP A 62 7.014 3.735 5.534 1.00 72.31 C ATOM 993 NE1 TRP A 62 6.215 3.870 3.478 1.00 42.13 N ATOM 994 CE2 TRP A 62 5.810 3.771 4.793 1.00 11.51 C ATOM 995 CE3 TRP A 62 6.926 3.636 6.934 1.00 14.12 C ATOM 996 CZ2 TRP A 62 4.564 3.711 5.416 1.00 53.31 C ATOM 997 CZ3 TRP A 62 5.674 3.574 7.565 1.00 22.34 C ATOM 998 CH2 TRP A 62 4.495 3.612 6.808 1.00 70.10 C ATOM 0 H TRP A 62 8.647 6.562 5.269 1.00 34.24 H new ATOM 0 HA TRP A 62 11.236 5.206 4.884 1.00 72.44 H new ATOM 0 HB2 TRP A 62 10.111 3.109 4.265 1.00 51.14 H new ATOM 0 HB3 TRP A 62 9.766 3.509 5.936 1.00 51.14 H new ATOM 0 HD1 TRP A 62 8.148 3.954 2.442 1.00 53.31 H new ATOM 0 HE1 TRP A 62 5.576 3.921 2.685 1.00 42.13 H new ATOM 0 HE3 TRP A 62 7.828 3.607 7.528 1.00 14.12 H new ATOM 0 HZ2 TRP A 62 3.659 3.741 4.827 1.00 53.31 H new ATOM 0 HZ3 TRP A 62 5.619 3.497 8.641 1.00 22.34 H new ATOM 0 HH2 TRP A 62 3.535 3.565 7.300 1.00 70.10 H new ATOM 1009 N GLU A 63 10.699 5.120 2.309 1.00 22.51 N ATOM 1010 CA GLU A 63 10.561 5.485 0.896 1.00 4.21 C ATOM 1011 C GLU A 63 10.403 4.244 0.020 1.00 22.40 C ATOM 1012 O GLU A 63 10.972 3.191 0.310 1.00 60.51 O ATOM 1013 CB GLU A 63 11.791 6.278 0.450 1.00 51.41 C ATOM 1014 CG GLU A 63 11.650 6.671 -1.026 1.00 54.12 C ATOM 1015 CD GLU A 63 12.089 5.518 -1.924 1.00 33.43 C ATOM 1016 OE1 GLU A 63 13.082 4.886 -1.602 1.00 70.53 O ATOM 1017 OE2 GLU A 63 11.427 5.286 -2.922 1.00 41.51 O ATOM 0 H GLU A 63 11.423 4.427 2.499 1.00 22.51 H new ATOM 0 HA GLU A 63 9.666 6.097 0.785 1.00 4.21 H new ATOM 0 HB2 GLU A 63 11.901 7.171 1.065 1.00 51.41 H new ATOM 0 HB3 GLU A 63 12.691 5.680 0.592 1.00 51.41 H new ATOM 0 HG2 GLU A 63 10.615 6.936 -1.242 1.00 54.12 H new ATOM 0 HG3 GLU A 63 12.255 7.554 -1.234 1.00 54.12 H new ATOM 1024 N THR A 64 9.619 4.379 -1.050 1.00 73.12 N ATOM 1025 CA THR A 64 9.378 3.263 -1.968 1.00 63.14 C ATOM 1026 C THR A 64 9.384 3.727 -3.421 1.00 22.13 C ATOM 1027 O THR A 64 8.910 4.818 -3.740 1.00 65.14 O ATOM 1028 CB THR A 64 8.026 2.618 -1.664 1.00 23.03 C ATOM 1029 OG1 THR A 64 7.888 2.441 -0.261 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.939 1.262 -2.363 1.00 64.01 C ATOM 0 H THR A 64 9.142 5.244 -1.302 1.00 73.12 H new ATOM 0 HA THR A 64 10.181 2.540 -1.825 1.00 63.14 H new ATOM 0 HB THR A 64 7.226 3.264 -2.026 1.00 23.03 H new ATOM 0 HG1 THR A 64 7.115 2.952 0.059 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.975 0.802 -2.146 1.00 64.01 H new ATOM 0 HG22 THR A 64 8.041 1.400 -3.439 1.00 64.01 H new ATOM 0 HG23 THR A 64 8.739 0.615 -2.003 1.00 64.01 H new ATOM 1038 N THR A 65 9.910 2.875 -4.298 1.00 10.35 N ATOM 1039 CA THR A 65 9.963 3.176 -5.727 1.00 11.51 C ATOM 1040 C THR A 65 8.884 2.388 -6.460 1.00 61.02 C ATOM 1041 O THR A 65 8.584 1.254 -6.090 1.00 21.33 O ATOM 1042 CB THR A 65 11.339 2.806 -6.287 1.00 51.14 C ATOM 1043 OG1 THR A 65 12.331 3.621 -5.678 1.00 55.12 O ATOM 1044 CG2 THR A 65 11.354 3.025 -7.800 1.00 53.23 C ATOM 0 H THR A 65 10.306 1.970 -4.044 1.00 10.35 H new ATOM 0 HA THR A 65 9.792 4.243 -5.872 1.00 11.51 H new ATOM 0 HB THR A 65 11.548 1.758 -6.073 1.00 51.14 H new ATOM 0 HG1 THR A 65 13.213 3.384 -6.034 1.00 55.12 H new ATOM 0 HG21 THR A 65 12.335 2.761 -8.196 1.00 53.23 H new ATOM 0 HG22 THR A 65 10.594 2.398 -8.266 1.00 53.23 H new ATOM 0 HG23 THR A 65 11.145 4.072 -8.018 1.00 53.23 H new ATOM 1052 N PHE A 66 8.301 2.986 -7.503 1.00 13.41 N ATOM 1053 CA PHE A 66 7.258 2.308 -8.268 1.00 51.23 C ATOM 1054 C PHE A 66 7.674 2.157 -9.727 1.00 44.34 C ATOM 1055 O PHE A 66 8.125 3.115 -10.354 1.00 55.41 O ATOM 1056 CB PHE A 66 5.942 3.109 -8.192 1.00 51.33 C ATOM 1057 CG PHE A 66 5.332 3.192 -9.575 1.00 73.14 C ATOM 1058 CD1 PHE A 66 4.998 2.019 -10.255 1.00 71.33 C ATOM 1059 CD2 PHE A 66 5.132 4.430 -10.189 1.00 12.13 C ATOM 1060 CE1 PHE A 66 4.471 2.082 -11.543 1.00 42.14 C ATOM 1061 CE2 PHE A 66 4.592 4.491 -11.482 1.00 62.23 C ATOM 1062 CZ PHE A 66 4.266 3.316 -12.157 1.00 42.31 C ATOM 0 H PHE A 66 8.531 3.924 -7.831 1.00 13.41 H new ATOM 0 HA PHE A 66 7.108 1.318 -7.838 1.00 51.23 H new ATOM 0 HB2 PHE A 66 5.248 2.627 -7.503 1.00 51.33 H new ATOM 0 HB3 PHE A 66 6.133 4.110 -7.804 1.00 51.33 H new ATOM 0 HD1 PHE A 66 5.149 1.060 -9.781 1.00 71.33 H new ATOM 0 HD2 PHE A 66 5.393 5.340 -9.669 1.00 12.13 H new ATOM 0 HE1 PHE A 66 4.221 1.172 -12.067 1.00 42.14 H new ATOM 0 HE2 PHE A 66 4.429 5.448 -11.955 1.00 62.23 H new ATOM 0 HZ PHE A 66 3.855 3.362 -13.155 1.00 42.31 H new ATOM 1072 N LYS A 67 7.501 0.950 -10.268 1.00 73.13 N ATOM 1073 CA LYS A 67 7.840 0.682 -11.661 1.00 13.11 C ATOM 1074 C LYS A 67 6.600 0.226 -12.433 1.00 21.45 C ATOM 1075 O LYS A 67 5.687 -0.396 -11.866 1.00 52.30 O ATOM 1076 CB LYS A 67 8.912 -0.407 -11.743 1.00 64.24 C ATOM 1077 CG LYS A 67 10.205 0.082 -11.079 1.00 53.34 C ATOM 1078 CD LYS A 67 11.390 -0.714 -11.625 1.00 2.41 C ATOM 1079 CE LYS A 67 12.617 -0.480 -10.742 1.00 62.33 C ATOM 1080 NZ LYS A 67 12.877 0.983 -10.633 1.00 12.12 N ATOM 0 H LYS A 67 7.129 0.146 -9.762 1.00 73.13 H new ATOM 0 HA LYS A 67 8.221 1.602 -12.103 1.00 13.11 H new ATOM 0 HB2 LYS A 67 8.560 -1.313 -11.250 1.00 64.24 H new ATOM 0 HB3 LYS A 67 9.103 -0.664 -12.785 1.00 64.24 H new ATOM 0 HG2 LYS A 67 10.347 1.145 -11.273 1.00 53.34 H new ATOM 0 HG3 LYS A 67 10.139 -0.038 -9.998 1.00 53.34 H new ATOM 0 HD2 LYS A 67 11.146 -1.776 -11.652 1.00 2.41 H new ATOM 0 HD3 LYS A 67 11.604 -0.410 -12.650 1.00 2.41 H new ATOM 0 HE2 LYS A 67 12.453 -0.906 -9.752 1.00 62.33 H new ATOM 0 HE3 LYS A 67 13.485 -0.984 -11.166 1.00 62.33 H new ATOM 0 HZ1 LYS A 67 13.796 1.206 -11.067 1.00 12.12 H new ATOM 0 HZ2 LYS A 67 12.126 1.507 -11.126 1.00 12.12 H new ATOM 0 HZ3 LYS A 67 12.891 1.259 -9.630 1.00 12.12 H new ATOM 1094 N LYS A 68 6.567 0.577 -13.721 1.00 3.43 N ATOM 1095 CA LYS A 68 5.441 0.242 -14.595 1.00 21.33 C ATOM 1096 C LYS A 68 5.433 -1.236 -14.974 1.00 72.40 C ATOM 1097 O LYS A 68 6.387 -1.743 -15.563 1.00 23.10 O ATOM 1098 CB LYS A 68 5.515 1.084 -15.870 1.00 53.12 C ATOM 1099 CG LYS A 68 4.230 0.895 -16.684 1.00 53.35 C ATOM 1100 CD LYS A 68 4.296 1.730 -17.973 1.00 31.23 C ATOM 1101 CE LYS A 68 5.059 0.962 -19.059 1.00 15.54 C ATOM 1102 NZ LYS A 68 4.407 -0.359 -19.289 1.00 52.14 N ATOM 0 H LYS A 68 7.313 1.097 -14.184 1.00 3.43 H new ATOM 0 HA LYS A 68 4.523 0.456 -14.047 1.00 21.33 H new ATOM 0 HB2 LYS A 68 5.646 2.136 -15.616 1.00 53.12 H new ATOM 0 HB3 LYS A 68 6.380 0.789 -16.463 1.00 53.12 H new ATOM 0 HG2 LYS A 68 4.097 -0.159 -16.930 1.00 53.35 H new ATOM 0 HG3 LYS A 68 3.366 1.195 -16.090 1.00 53.35 H new ATOM 0 HD2 LYS A 68 3.288 1.960 -18.319 1.00 31.23 H new ATOM 0 HD3 LYS A 68 4.789 2.681 -17.775 1.00 31.23 H new ATOM 0 HE2 LYS A 68 5.073 1.538 -19.984 1.00 15.54 H new ATOM 0 HE3 LYS A 68 6.096 0.819 -18.757 1.00 15.54 H new ATOM 0 HZ1 LYS A 68 4.520 -0.633 -20.286 1.00 52.14 H new ATOM 0 HZ2 LYS A 68 4.851 -1.076 -18.680 1.00 52.14 H new ATOM 0 HZ3 LYS A 68 3.394 -0.291 -19.062 1.00 52.14 H new ATOM 1116 N THR A 69 4.337 -1.917 -14.638 1.00 15.53 N ATOM 1117 CA THR A 69 4.185 -3.338 -14.950 1.00 52.53 C ATOM 1118 C THR A 69 2.857 -3.579 -15.666 1.00 3.13 C ATOM 1119 O THR A 69 2.026 -2.677 -15.766 1.00 60.33 O ATOM 1120 CB THR A 69 4.230 -4.166 -13.663 1.00 54.42 C ATOM 1121 OG1 THR A 69 4.169 -5.547 -13.989 1.00 51.20 O ATOM 1122 CG2 THR A 69 3.041 -3.797 -12.770 1.00 40.11 C ATOM 0 H THR A 69 3.541 -1.507 -14.149 1.00 15.53 H new ATOM 0 HA THR A 69 5.004 -3.642 -15.602 1.00 52.53 H new ATOM 0 HB THR A 69 5.158 -3.957 -13.130 1.00 54.42 H new ATOM 0 HG1 THR A 69 4.199 -6.079 -13.166 1.00 51.20 H new ATOM 0 HG21 THR A 69 3.076 -4.388 -11.855 1.00 40.11 H new ATOM 0 HG22 THR A 69 3.089 -2.737 -12.520 1.00 40.11 H new ATOM 0 HG23 THR A 69 2.111 -4.003 -13.299 1.00 40.11 H new ATOM 1130 N SER A 70 2.662 -4.797 -16.158 1.00 51.44 N ATOM 1131 CA SER A 70 1.427 -5.139 -16.858 1.00 20.11 C ATOM 1132 C SER A 70 0.292 -5.359 -15.861 1.00 64.35 C ATOM 1133 O SER A 70 -0.326 -6.423 -15.833 1.00 41.34 O ATOM 1134 CB SER A 70 1.630 -6.405 -17.690 1.00 55.14 C ATOM 1135 OG SER A 70 2.105 -7.448 -16.849 1.00 40.14 O ATOM 0 H SER A 70 3.336 -5.559 -16.087 1.00 51.44 H new ATOM 0 HA SER A 70 1.164 -4.312 -17.517 1.00 20.11 H new ATOM 0 HB2 SER A 70 0.692 -6.700 -18.160 1.00 55.14 H new ATOM 0 HB3 SER A 70 2.343 -6.216 -18.493 1.00 55.14 H new ATOM 0 HG SER A 70 1.411 -7.685 -16.199 1.00 40.14 H new ATOM 1141 N ASP A 71 0.031 -4.347 -15.039 1.00 62.33 N ATOM 1142 CA ASP A 71 -1.024 -4.439 -14.034 1.00 24.34 C ATOM 1143 C ASP A 71 -2.403 -4.520 -14.686 1.00 41.40 C ATOM 1144 O ASP A 71 -2.901 -5.609 -14.968 1.00 21.04 O ATOM 1145 CB ASP A 71 -0.967 -3.224 -13.111 1.00 22.22 C ATOM 1146 CG ASP A 71 -2.103 -3.290 -12.096 1.00 14.42 C ATOM 1147 OD1 ASP A 71 -1.905 -3.892 -11.054 1.00 53.51 O ATOM 1148 OD2 ASP A 71 -3.154 -2.737 -12.376 1.00 10.44 O ATOM 0 H ASP A 71 0.532 -3.459 -15.048 1.00 62.33 H new ATOM 0 HA ASP A 71 -0.863 -5.349 -13.457 1.00 24.34 H new ATOM 0 HB2 ASP A 71 -0.008 -3.193 -12.595 1.00 22.22 H new ATOM 0 HB3 ASP A 71 -1.043 -2.308 -13.696 1.00 22.22 H new ATOM 1153 N ASP A 72 -3.020 -3.361 -14.917 1.00 44.31 N ATOM 1154 CA ASP A 72 -4.344 -3.324 -15.531 1.00 34.55 C ATOM 1155 C ASP A 72 -4.706 -1.909 -15.957 1.00 53.33 C ATOM 1156 O ASP A 72 -5.226 -1.121 -15.167 1.00 52.31 O ATOM 1157 CB ASP A 72 -5.392 -3.849 -14.549 1.00 22.10 C ATOM 1158 CG ASP A 72 -6.783 -3.743 -15.164 1.00 22.13 C ATOM 1159 OD1 ASP A 72 -6.871 -3.362 -16.320 1.00 34.23 O ATOM 1160 OD2 ASP A 72 -7.741 -4.041 -14.469 1.00 61.14 O ATOM 0 H ASP A 72 -2.629 -2.447 -14.691 1.00 44.31 H new ATOM 0 HA ASP A 72 -4.325 -3.959 -16.417 1.00 34.55 H new ATOM 0 HB2 ASP A 72 -5.176 -4.887 -14.295 1.00 22.10 H new ATOM 0 HB3 ASP A 72 -5.351 -3.278 -13.621 1.00 22.10 H new ATOM 1165 N GLY A 73 -4.429 -1.597 -17.215 1.00 23.25 N ATOM 1166 CA GLY A 73 -4.726 -0.276 -17.748 1.00 53.43 C ATOM 1167 C GLY A 73 -3.678 0.731 -17.300 1.00 12.24 C ATOM 1168 O GLY A 73 -2.547 0.720 -17.786 1.00 4.21 O ATOM 0 H GLY A 73 -4.001 -2.238 -17.883 1.00 23.25 H new ATOM 0 HA2 GLY A 73 -4.757 -0.316 -18.837 1.00 53.43 H new ATOM 0 HA3 GLY A 73 -5.712 0.044 -17.412 1.00 53.43 H new ATOM 1172 N GLU A 74 -4.057 1.593 -16.360 1.00 71.24 N ATOM 1173 CA GLU A 74 -3.134 2.602 -15.836 1.00 22.12 C ATOM 1174 C GLU A 74 -2.974 2.453 -14.326 1.00 50.12 C ATOM 1175 O GLU A 74 -3.682 3.102 -13.559 1.00 62.23 O ATOM 1176 CB GLU A 74 -3.673 4.007 -16.147 1.00 23.30 C ATOM 1177 CG GLU A 74 -3.269 4.420 -17.564 1.00 13.31 C ATOM 1178 CD GLU A 74 -3.845 3.439 -18.580 1.00 60.21 C ATOM 1179 OE1 GLU A 74 -4.871 2.849 -18.287 1.00 43.32 O ATOM 1180 OE2 GLU A 74 -3.250 3.294 -19.635 1.00 30.21 O ATOM 0 H GLU A 74 -4.989 1.615 -15.947 1.00 71.24 H new ATOM 0 HA GLU A 74 -2.164 2.461 -16.312 1.00 22.12 H new ATOM 0 HB2 GLU A 74 -4.759 4.018 -16.052 1.00 23.30 H new ATOM 0 HB3 GLU A 74 -3.282 4.724 -15.425 1.00 23.30 H new ATOM 0 HG2 GLU A 74 -3.629 5.427 -17.774 1.00 13.31 H new ATOM 0 HG3 GLU A 74 -2.183 4.446 -17.648 1.00 13.31 H new ATOM 1187 N VAL A 75 -2.030 1.618 -13.900 1.00 2.15 N ATOM 1188 CA VAL A 75 -1.775 1.417 -12.473 1.00 53.31 C ATOM 1189 C VAL A 75 -0.285 1.366 -12.203 1.00 50.30 C ATOM 1190 O VAL A 75 0.508 1.030 -13.083 1.00 43.11 O ATOM 1191 CB VAL A 75 -2.426 0.143 -11.928 1.00 0.40 C ATOM 1192 CG1 VAL A 75 -2.407 0.184 -10.377 1.00 10.03 C ATOM 1193 CG2 VAL A 75 -3.868 0.036 -12.444 1.00 74.02 C ATOM 0 H VAL A 75 -1.430 1.071 -14.518 1.00 2.15 H new ATOM 0 HA VAL A 75 -2.223 2.267 -11.959 1.00 53.31 H new ATOM 0 HB VAL A 75 -1.870 -0.731 -12.269 1.00 0.40 H new ATOM 0 HG11 VAL A 75 -2.870 -0.721 -9.983 1.00 10.03 H new ATOM 0 HG12 VAL A 75 -1.377 0.246 -10.027 1.00 10.03 H new ATOM 0 HG13 VAL A 75 -2.962 1.056 -10.029 1.00 10.03 H new ATOM 0 HG21 VAL A 75 -4.328 -0.872 -12.054 1.00 74.02 H new ATOM 0 HG22 VAL A 75 -4.439 0.903 -12.112 1.00 74.02 H new ATOM 0 HG23 VAL A 75 -3.863 0.001 -13.533 1.00 74.02 H new ATOM 1203 N TYR A 76 0.091 1.732 -10.989 1.00 41.24 N ATOM 1204 CA TYR A 76 1.498 1.762 -10.606 1.00 31.34 C ATOM 1205 C TYR A 76 1.808 0.610 -9.644 1.00 33.21 C ATOM 1206 O TYR A 76 0.969 0.241 -8.830 1.00 53.44 O ATOM 1207 CB TYR A 76 1.779 3.121 -9.960 1.00 0.45 C ATOM 1208 CG TYR A 76 1.050 4.207 -10.738 1.00 33.40 C ATOM 1209 CD1 TYR A 76 1.069 4.208 -12.142 1.00 32.40 C ATOM 1210 CD2 TYR A 76 0.350 5.209 -10.056 1.00 75.13 C ATOM 1211 CE1 TYR A 76 0.393 5.206 -12.853 1.00 63.24 C ATOM 1212 CE2 TYR A 76 -0.327 6.205 -10.768 1.00 11.13 C ATOM 1213 CZ TYR A 76 -0.306 6.205 -12.166 1.00 53.01 C ATOM 1214 OH TYR A 76 -0.973 7.188 -12.867 1.00 25.04 O ATOM 0 H TYR A 76 -0.555 2.013 -10.251 1.00 41.24 H new ATOM 0 HA TYR A 76 2.139 1.634 -11.478 1.00 31.34 H new ATOM 0 HB2 TYR A 76 1.449 3.118 -8.921 1.00 0.45 H new ATOM 0 HB3 TYR A 76 2.851 3.319 -9.954 1.00 0.45 H new ATOM 0 HD1 TYR A 76 1.606 3.437 -12.674 1.00 32.40 H new ATOM 0 HD2 TYR A 76 0.332 5.213 -8.976 1.00 75.13 H new ATOM 0 HE1 TYR A 76 0.411 5.205 -13.933 1.00 63.24 H new ATOM 0 HE2 TYR A 76 -0.867 6.975 -10.237 1.00 11.13 H new ATOM 0 HH TYR A 76 -1.273 6.829 -13.728 1.00 25.04 H new ATOM 1224 N TYR A 77 3.010 0.008 -9.778 1.00 62.44 N ATOM 1225 CA TYR A 77 3.359 -1.146 -8.931 1.00 14.20 C ATOM 1226 C TYR A 77 4.832 -1.186 -8.526 1.00 35.53 C ATOM 1227 O TYR A 77 5.727 -1.109 -9.367 1.00 65.53 O ATOM 1228 CB TYR A 77 3.025 -2.435 -9.695 1.00 11.22 C ATOM 1229 CG TYR A 77 2.872 -3.601 -8.738 1.00 13.50 C ATOM 1230 CD1 TYR A 77 3.992 -4.123 -8.074 1.00 40.43 C ATOM 1231 CD2 TYR A 77 1.607 -4.164 -8.518 1.00 1.34 C ATOM 1232 CE1 TYR A 77 3.845 -5.202 -7.194 1.00 22.15 C ATOM 1233 CE2 TYR A 77 1.463 -5.243 -7.637 1.00 62.04 C ATOM 1234 CZ TYR A 77 2.581 -5.760 -6.975 1.00 21.52 C ATOM 1235 OH TYR A 77 2.438 -6.823 -6.106 1.00 71.13 O ATOM 0 H TYR A 77 3.731 0.292 -10.442 1.00 62.44 H new ATOM 0 HA TYR A 77 2.780 -1.052 -8.013 1.00 14.20 H new ATOM 0 HB2 TYR A 77 2.104 -2.300 -10.261 1.00 11.22 H new ATOM 0 HB3 TYR A 77 3.813 -2.651 -10.416 1.00 11.22 H new ATOM 0 HD1 TYR A 77 4.968 -3.692 -8.242 1.00 40.43 H new ATOM 0 HD2 TYR A 77 0.743 -3.765 -9.028 1.00 1.34 H new ATOM 0 HE1 TYR A 77 4.708 -5.604 -6.684 1.00 22.15 H new ATOM 0 HE2 TYR A 77 0.488 -5.676 -7.469 1.00 62.04 H new ATOM 0 HH TYR A 77 1.496 -7.090 -6.067 1.00 71.13 H new ATOM 1245 N SER A 78 5.064 -1.365 -7.222 1.00 52.42 N ATOM 1246 CA SER A 78 6.421 -1.479 -6.689 1.00 33.40 C ATOM 1247 C SER A 78 6.721 -2.949 -6.398 1.00 2.11 C ATOM 1248 O SER A 78 6.240 -3.510 -5.413 1.00 13.25 O ATOM 1249 CB SER A 78 6.552 -0.661 -5.404 1.00 32.11 C ATOM 1250 OG SER A 78 7.841 -0.870 -4.843 1.00 13.05 O ATOM 0 H SER A 78 4.329 -1.434 -6.518 1.00 52.42 H new ATOM 0 HA SER A 78 7.131 -1.095 -7.422 1.00 33.40 H new ATOM 0 HB2 SER A 78 6.403 0.398 -5.616 1.00 32.11 H new ATOM 0 HB3 SER A 78 5.781 -0.955 -4.692 1.00 32.11 H new ATOM 0 HG SER A 78 8.487 -0.274 -5.276 1.00 13.05 H new ATOM 1256 N GLU A 79 7.493 -3.569 -7.281 1.00 53.42 N ATOM 1257 CA GLU A 79 7.833 -4.984 -7.149 1.00 22.02 C ATOM 1258 C GLU A 79 8.393 -5.325 -5.767 1.00 4.50 C ATOM 1259 O GLU A 79 8.116 -6.397 -5.228 1.00 64.42 O ATOM 1260 CB GLU A 79 8.861 -5.365 -8.216 1.00 64.13 C ATOM 1261 CG GLU A 79 8.978 -6.889 -8.294 1.00 32.42 C ATOM 1262 CD GLU A 79 10.115 -7.278 -9.232 1.00 73.51 C ATOM 1263 OE1 GLU A 79 10.378 -6.525 -10.155 1.00 13.33 O ATOM 1264 OE2 GLU A 79 10.705 -8.322 -9.014 1.00 40.23 O ATOM 0 H GLU A 79 7.898 -3.115 -8.100 1.00 53.42 H new ATOM 0 HA GLU A 79 6.912 -5.552 -7.281 1.00 22.02 H new ATOM 0 HB2 GLU A 79 8.562 -4.963 -9.184 1.00 64.13 H new ATOM 0 HB3 GLU A 79 9.830 -4.927 -7.975 1.00 64.13 H new ATOM 0 HG2 GLU A 79 9.159 -7.299 -7.300 1.00 32.42 H new ATOM 0 HG3 GLU A 79 8.040 -7.316 -8.649 1.00 32.42 H new ATOM 1271 N GLU A 80 9.208 -4.436 -5.213 1.00 14.34 N ATOM 1272 CA GLU A 80 9.829 -4.687 -3.912 1.00 1.03 C ATOM 1273 C GLU A 80 8.849 -4.534 -2.745 1.00 32.02 C ATOM 1274 O GLU A 80 8.937 -5.268 -1.760 1.00 62.24 O ATOM 1275 CB GLU A 80 11.001 -3.725 -3.710 1.00 21.40 C ATOM 1276 CG GLU A 80 12.004 -3.896 -4.851 1.00 55.13 C ATOM 1277 CD GLU A 80 13.226 -3.017 -4.605 1.00 55.42 C ATOM 1278 OE1 GLU A 80 13.284 -2.397 -3.557 1.00 13.24 O ATOM 1279 OE2 GLU A 80 14.086 -2.977 -5.470 1.00 52.05 O ATOM 0 H GLU A 80 9.455 -3.542 -5.637 1.00 14.34 H new ATOM 0 HA GLU A 80 10.172 -5.722 -3.918 1.00 1.03 H new ATOM 0 HB2 GLU A 80 10.640 -2.697 -3.680 1.00 21.40 H new ATOM 0 HB3 GLU A 80 11.485 -3.921 -2.753 1.00 21.40 H new ATOM 0 HG2 GLU A 80 12.306 -4.940 -4.928 1.00 55.13 H new ATOM 0 HG3 GLU A 80 11.538 -3.629 -5.799 1.00 55.13 H new ATOM 1286 N ALA A 81 7.944 -3.564 -2.834 1.00 20.24 N ATOM 1287 CA ALA A 81 6.991 -3.315 -1.746 1.00 42.22 C ATOM 1288 C ALA A 81 5.631 -3.962 -1.997 1.00 23.30 C ATOM 1289 O ALA A 81 4.680 -3.699 -1.261 1.00 15.54 O ATOM 1290 CB ALA A 81 6.798 -1.811 -1.571 1.00 33.54 C ATOM 0 H ALA A 81 7.847 -2.942 -3.636 1.00 20.24 H new ATOM 0 HA ALA A 81 7.410 -3.762 -0.844 1.00 42.22 H new ATOM 0 HB1 ALA A 81 6.090 -1.627 -0.763 1.00 33.54 H new ATOM 0 HB2 ALA A 81 7.754 -1.347 -1.329 1.00 33.54 H new ATOM 0 HB3 ALA A 81 6.412 -1.384 -2.496 1.00 33.54 H new ATOM 1296 N LYS A 82 5.536 -4.806 -3.024 1.00 42.01 N ATOM 1297 CA LYS A 82 4.270 -5.479 -3.346 1.00 74.32 C ATOM 1298 C LYS A 82 3.086 -4.587 -2.990 1.00 54.44 C ATOM 1299 O LYS A 82 2.194 -4.970 -2.225 1.00 13.43 O ATOM 1300 CB LYS A 82 4.166 -6.805 -2.589 1.00 34.34 C ATOM 1301 CG LYS A 82 5.450 -7.618 -2.786 1.00 0.32 C ATOM 1302 CD LYS A 82 5.586 -8.030 -4.256 1.00 35.42 C ATOM 1303 CE LYS A 82 6.598 -9.171 -4.377 1.00 21.43 C ATOM 1304 NZ LYS A 82 7.883 -8.762 -3.740 1.00 62.44 N ATOM 0 H LYS A 82 6.311 -5.041 -3.645 1.00 42.01 H new ATOM 0 HA LYS A 82 4.251 -5.679 -4.417 1.00 74.32 H new ATOM 0 HB2 LYS A 82 4.003 -6.617 -1.528 1.00 34.34 H new ATOM 0 HB3 LYS A 82 3.307 -7.372 -2.947 1.00 34.34 H new ATOM 0 HG2 LYS A 82 6.315 -7.028 -2.483 1.00 0.32 H new ATOM 0 HG3 LYS A 82 5.431 -8.504 -2.151 1.00 0.32 H new ATOM 0 HD2 LYS A 82 4.619 -8.345 -4.647 1.00 35.42 H new ATOM 0 HD3 LYS A 82 5.909 -7.178 -4.855 1.00 35.42 H new ATOM 0 HE2 LYS A 82 6.210 -10.069 -3.896 1.00 21.43 H new ATOM 0 HE3 LYS A 82 6.761 -9.417 -5.426 1.00 21.43 H new ATOM 0 HZ1 LYS A 82 8.620 -9.460 -3.966 1.00 62.44 H new ATOM 0 HZ2 LYS A 82 8.167 -7.829 -4.100 1.00 62.44 H new ATOM 0 HZ3 LYS A 82 7.759 -8.712 -2.709 1.00 62.44 H new ATOM 1318 N LYS A 83 3.095 -3.395 -3.570 1.00 32.32 N ATOM 1319 CA LYS A 83 2.038 -2.418 -3.337 1.00 20.41 C ATOM 1320 C LYS A 83 1.861 -1.525 -4.557 1.00 12.15 C ATOM 1321 O LYS A 83 2.833 -1.019 -5.118 1.00 62.32 O ATOM 1322 CB LYS A 83 2.373 -1.553 -2.121 1.00 53.34 C ATOM 1323 CG LYS A 83 1.225 -0.571 -1.864 1.00 51.31 C ATOM 1324 CD LYS A 83 1.482 0.214 -0.572 1.00 35.34 C ATOM 1325 CE LYS A 83 2.481 1.348 -0.829 1.00 72.41 C ATOM 1326 NZ LYS A 83 2.015 2.181 -1.973 1.00 63.53 N ATOM 0 H LYS A 83 3.825 -3.079 -4.208 1.00 32.32 H new ATOM 0 HA LYS A 83 1.110 -2.959 -3.151 1.00 20.41 H new ATOM 0 HB2 LYS A 83 2.531 -2.183 -1.245 1.00 53.34 H new ATOM 0 HB3 LYS A 83 3.301 -1.008 -2.293 1.00 53.34 H new ATOM 0 HG2 LYS A 83 1.130 0.117 -2.704 1.00 51.31 H new ATOM 0 HG3 LYS A 83 0.283 -1.113 -1.788 1.00 51.31 H new ATOM 0 HD2 LYS A 83 0.545 0.624 -0.195 1.00 35.34 H new ATOM 0 HD3 LYS A 83 1.870 -0.454 0.197 1.00 35.34 H new ATOM 0 HE2 LYS A 83 2.583 1.965 0.064 1.00 72.41 H new ATOM 0 HE3 LYS A 83 3.466 0.935 -1.045 1.00 72.41 H new ATOM 0 HZ1 LYS A 83 2.357 3.156 -1.855 1.00 63.53 H new ATOM 0 HZ2 LYS A 83 2.387 1.789 -2.862 1.00 63.53 H new ATOM 0 HZ3 LYS A 83 0.975 2.180 -2.002 1.00 63.53 H new ATOM 1340 N LYS A 84 0.611 -1.352 -4.970 1.00 63.04 N ATOM 1341 CA LYS A 84 0.300 -0.534 -6.138 1.00 54.11 C ATOM 1342 C LYS A 84 -0.758 0.500 -5.815 1.00 33.54 C ATOM 1343 O LYS A 84 -1.679 0.243 -5.039 1.00 25.45 O ATOM 1344 CB LYS A 84 -0.213 -1.441 -7.264 1.00 73.22 C ATOM 1345 CG LYS A 84 -1.030 -2.596 -6.670 1.00 33.44 C ATOM 1346 CD LYS A 84 -2.008 -3.135 -7.720 1.00 43.33 C ATOM 1347 CE LYS A 84 -2.525 -4.513 -7.293 1.00 24.33 C ATOM 1348 NZ LYS A 84 -3.813 -4.797 -7.986 1.00 2.52 N ATOM 0 H LYS A 84 -0.203 -1.766 -4.515 1.00 63.04 H new ATOM 0 HA LYS A 84 1.207 -0.015 -6.447 1.00 54.11 H new ATOM 0 HB2 LYS A 84 -0.829 -0.865 -7.955 1.00 73.22 H new ATOM 0 HB3 LYS A 84 0.626 -1.834 -7.837 1.00 73.22 H new ATOM 0 HG2 LYS A 84 -0.363 -3.392 -6.338 1.00 33.44 H new ATOM 0 HG3 LYS A 84 -1.578 -2.252 -5.792 1.00 33.44 H new ATOM 0 HD2 LYS A 84 -2.843 -2.445 -7.840 1.00 43.33 H new ATOM 0 HD3 LYS A 84 -1.512 -3.207 -8.688 1.00 43.33 H new ATOM 0 HE2 LYS A 84 -1.791 -5.281 -7.538 1.00 24.33 H new ATOM 0 HE3 LYS A 84 -2.667 -4.541 -6.213 1.00 24.33 H new ATOM 0 HZ1 LYS A 84 -4.164 -5.732 -7.696 1.00 2.52 H new ATOM 0 HZ2 LYS A 84 -4.512 -4.070 -7.731 1.00 2.52 H new ATOM 0 HZ3 LYS A 84 -3.663 -4.787 -9.015 1.00 2.52 H new ATOM 1362 N VAL A 85 -0.637 1.666 -6.450 1.00 35.51 N ATOM 1363 CA VAL A 85 -1.614 2.722 -6.254 1.00 1.33 C ATOM 1364 C VAL A 85 -2.117 3.225 -7.599 1.00 13.53 C ATOM 1365 O VAL A 85 -1.340 3.493 -8.514 1.00 51.21 O ATOM 1366 CB VAL A 85 -1.034 3.853 -5.380 1.00 60.34 C ATOM 1367 CG1 VAL A 85 -0.235 3.227 -4.233 1.00 14.11 C ATOM 1368 CG2 VAL A 85 -0.118 4.842 -6.155 1.00 43.32 C ATOM 0 H VAL A 85 0.119 1.896 -7.095 1.00 35.51 H new ATOM 0 HA VAL A 85 -2.471 2.320 -5.714 1.00 1.33 H new ATOM 0 HB VAL A 85 -1.880 4.436 -5.016 1.00 60.34 H new ATOM 0 HG11 VAL A 85 0.181 4.016 -3.606 1.00 14.11 H new ATOM 0 HG12 VAL A 85 -0.892 2.596 -3.634 1.00 14.11 H new ATOM 0 HG13 VAL A 85 0.575 2.623 -4.641 1.00 14.11 H new ATOM 0 HG21 VAL A 85 0.250 5.608 -5.472 1.00 43.32 H new ATOM 0 HG22 VAL A 85 0.726 4.299 -6.581 1.00 43.32 H new ATOM 0 HG23 VAL A 85 -0.687 5.314 -6.956 1.00 43.32 H new ATOM 1378 N GLU A 86 -3.446 3.293 -7.717 1.00 22.14 N ATOM 1379 CA GLU A 86 -4.089 3.698 -8.966 1.00 64.25 C ATOM 1380 C GLU A 86 -4.895 4.966 -8.778 1.00 70.44 C ATOM 1381 O GLU A 86 -5.669 5.103 -7.834 1.00 75.21 O ATOM 1382 CB GLU A 86 -5.028 2.591 -9.448 1.00 54.40 C ATOM 1383 CG GLU A 86 -5.559 2.941 -10.838 1.00 1.34 C ATOM 1384 CD GLU A 86 -6.482 1.834 -11.339 1.00 40.41 C ATOM 1385 OE1 GLU A 86 -6.735 0.913 -10.580 1.00 61.22 O ATOM 1386 OE2 GLU A 86 -6.922 1.925 -12.473 1.00 62.22 O ATOM 0 H GLU A 86 -4.096 3.073 -6.962 1.00 22.14 H new ATOM 0 HA GLU A 86 -3.305 3.879 -9.702 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -4.499 1.639 -9.479 1.00 54.40 H new ATOM 0 HB3 GLU A 86 -5.857 2.473 -8.750 1.00 54.40 H new ATOM 0 HG2 GLU A 86 -6.099 3.887 -10.802 1.00 1.34 H new ATOM 0 HG3 GLU A 86 -4.728 3.074 -11.531 1.00 1.34 H new ATOM 1393 N VAL A 87 -4.652 5.906 -9.673 1.00 2.52 N ATOM 1394 CA VAL A 87 -5.297 7.208 -9.615 1.00 1.41 C ATOM 1395 C VAL A 87 -6.616 7.270 -10.395 1.00 50.33 C ATOM 1396 O VAL A 87 -6.619 7.448 -11.612 1.00 15.04 O ATOM 1397 CB VAL A 87 -4.312 8.235 -10.175 1.00 33.21 C ATOM 1398 CG1 VAL A 87 -4.071 7.990 -11.678 1.00 33.42 C ATOM 1399 CG2 VAL A 87 -4.879 9.628 -9.958 1.00 43.40 C ATOM 0 H VAL A 87 -4.008 5.792 -10.455 1.00 2.52 H new ATOM 0 HA VAL A 87 -5.555 7.416 -8.577 1.00 1.41 H new ATOM 0 HB VAL A 87 -3.357 8.139 -9.658 1.00 33.21 H new ATOM 0 HG11 VAL A 87 -3.368 8.730 -12.059 1.00 33.42 H new ATOM 0 HG12 VAL A 87 -3.660 6.991 -11.822 1.00 33.42 H new ATOM 0 HG13 VAL A 87 -5.015 8.075 -12.216 1.00 33.42 H new ATOM 0 HG21 VAL A 87 -4.185 10.369 -10.354 1.00 43.40 H new ATOM 0 HG22 VAL A 87 -5.836 9.716 -10.473 1.00 43.40 H new ATOM 0 HG23 VAL A 87 -5.024 9.800 -8.891 1.00 43.40 H new ATOM 1409 N LEU A 88 -7.745 7.143 -9.683 1.00 71.42 N ATOM 1410 CA LEU A 88 -9.045 7.218 -10.354 1.00 15.35 C ATOM 1411 C LEU A 88 -9.380 8.678 -10.612 1.00 2.33 C ATOM 1412 O LEU A 88 -9.620 9.076 -11.752 1.00 34.13 O ATOM 1413 CB LEU A 88 -10.181 6.594 -9.513 1.00 74.33 C ATOM 1414 CG LEU A 88 -9.688 5.377 -8.714 1.00 43.14 C ATOM 1415 CD1 LEU A 88 -8.804 4.486 -9.597 1.00 63.22 C ATOM 1416 CD2 LEU A 88 -8.909 5.834 -7.465 1.00 50.24 C ATOM 0 H LEU A 88 -7.784 6.993 -8.675 1.00 71.42 H new ATOM 0 HA LEU A 88 -8.969 6.654 -11.283 1.00 15.35 H new ATOM 0 HB2 LEU A 88 -10.581 7.342 -8.829 1.00 74.33 H new ATOM 0 HB3 LEU A 88 -10.998 6.293 -10.169 1.00 74.33 H new ATOM 0 HG LEU A 88 -10.554 4.799 -8.390 1.00 43.14 H new ATOM 0 HD11 LEU A 88 -8.461 3.627 -9.020 1.00 63.22 H new ATOM 0 HD12 LEU A 88 -9.379 4.140 -10.456 1.00 63.22 H new ATOM 0 HD13 LEU A 88 -7.943 5.057 -9.944 1.00 63.22 H new ATOM 0 HD21 LEU A 88 -8.567 4.961 -6.910 1.00 50.24 H new ATOM 0 HD22 LEU A 88 -8.049 6.430 -7.770 1.00 50.24 H new ATOM 0 HD23 LEU A 88 -9.560 6.435 -6.830 1.00 50.24 H new ATOM 1428 N ASP A 89 -9.389 9.481 -9.548 1.00 60.22 N ATOM 1429 CA ASP A 89 -9.687 10.905 -9.665 1.00 13.11 C ATOM 1430 C ASP A 89 -8.621 11.696 -8.919 1.00 71.02 C ATOM 1431 O ASP A 89 -8.291 11.379 -7.776 1.00 73.23 O ATOM 1432 CB ASP A 89 -11.062 11.210 -9.063 1.00 12.20 C ATOM 1433 CG ASP A 89 -11.505 12.614 -9.458 1.00 71.45 C ATOM 1434 OD1 ASP A 89 -12.044 12.760 -10.543 1.00 2.22 O ATOM 1435 OD2 ASP A 89 -11.297 13.523 -8.672 1.00 55.02 O ATOM 0 H ASP A 89 -9.193 9.168 -8.597 1.00 60.22 H new ATOM 0 HA ASP A 89 -9.694 11.186 -10.718 1.00 13.11 H new ATOM 0 HB2 ASP A 89 -11.791 10.478 -9.411 1.00 12.20 H new ATOM 0 HB3 ASP A 89 -11.019 11.125 -7.977 1.00 12.20 H new ATOM 1440 N THR A 90 -8.063 12.702 -9.575 1.00 41.23 N ATOM 1441 CA THR A 90 -7.007 13.503 -8.967 1.00 43.32 C ATOM 1442 C THR A 90 -7.120 14.959 -9.436 1.00 71.42 C ATOM 1443 O THR A 90 -7.094 15.241 -10.634 1.00 3.31 O ATOM 1444 CB THR A 90 -5.658 12.862 -9.361 1.00 10.50 C ATOM 1445 OG1 THR A 90 -4.658 13.044 -8.355 1.00 24.53 O ATOM 1446 CG2 THR A 90 -5.163 13.435 -10.684 1.00 21.23 C ATOM 0 H THR A 90 -8.320 12.983 -10.521 1.00 41.23 H new ATOM 0 HA THR A 90 -7.091 13.520 -7.880 1.00 43.32 H new ATOM 0 HB THR A 90 -5.834 11.791 -9.467 1.00 10.50 H new ATOM 0 HG1 THR A 90 -3.822 12.622 -8.644 1.00 24.53 H new ATOM 0 HG21 THR A 90 -4.212 12.973 -10.947 1.00 21.23 H new ATOM 0 HG22 THR A 90 -5.895 13.230 -11.466 1.00 21.23 H new ATOM 0 HG23 THR A 90 -5.028 14.512 -10.586 1.00 21.23 H new ATOM 1454 N ASP A 91 -7.246 15.876 -8.481 1.00 12.43 N ATOM 1455 CA ASP A 91 -7.361 17.295 -8.811 1.00 32.40 C ATOM 1456 C ASP A 91 -5.998 17.845 -9.202 1.00 54.15 C ATOM 1457 O ASP A 91 -5.892 18.774 -10.002 1.00 12.41 O ATOM 1458 CB ASP A 91 -7.902 18.077 -7.617 1.00 10.41 C ATOM 1459 CG ASP A 91 -8.308 19.481 -8.053 1.00 54.10 C ATOM 1460 OD1 ASP A 91 -9.451 19.649 -8.447 1.00 11.43 O ATOM 1461 OD2 ASP A 91 -7.471 20.365 -7.990 1.00 55.21 O ATOM 0 H ASP A 91 -7.271 15.667 -7.483 1.00 12.43 H new ATOM 0 HA ASP A 91 -8.052 17.403 -9.647 1.00 32.40 H new ATOM 0 HB2 ASP A 91 -8.760 17.558 -7.190 1.00 10.41 H new ATOM 0 HB3 ASP A 91 -7.144 18.135 -6.836 1.00 10.41 H new ATOM 1466 N TYR A 92 -4.960 17.254 -8.623 1.00 21.14 N ATOM 1467 CA TYR A 92 -3.588 17.667 -8.896 1.00 20.30 C ATOM 1468 C TYR A 92 -3.346 19.103 -8.426 1.00 24.21 C ATOM 1469 O TYR A 92 -2.363 19.723 -8.832 1.00 41.10 O ATOM 1470 CB TYR A 92 -3.298 17.574 -10.419 1.00 53.22 C ATOM 1471 CG TYR A 92 -2.411 16.389 -10.742 1.00 13.25 C ATOM 1472 CD1 TYR A 92 -1.173 16.254 -10.113 1.00 3.53 C ATOM 1473 CD2 TYR A 92 -2.831 15.431 -11.674 1.00 61.01 C ATOM 1474 CE1 TYR A 92 -0.354 15.155 -10.406 1.00 33.00 C ATOM 1475 CE2 TYR A 92 -2.013 14.336 -11.969 1.00 61.10 C ATOM 1476 CZ TYR A 92 -0.777 14.197 -11.332 1.00 63.53 C ATOM 1477 OH TYR A 92 0.026 13.114 -11.614 1.00 11.54 O ATOM 0 H TYR A 92 -5.042 16.484 -7.959 1.00 21.14 H new ATOM 0 HA TYR A 92 -2.920 17.000 -8.351 1.00 20.30 H new ATOM 0 HB2 TYR A 92 -4.237 17.487 -10.965 1.00 53.22 H new ATOM 0 HB3 TYR A 92 -2.818 18.492 -10.756 1.00 53.22 H new ATOM 0 HD1 TYR A 92 -0.846 16.996 -9.400 1.00 3.53 H new ATOM 0 HD2 TYR A 92 -3.787 15.538 -12.165 1.00 61.01 H new ATOM 0 HE1 TYR A 92 0.603 15.048 -9.917 1.00 33.00 H new ATOM 0 HE2 TYR A 92 -2.336 13.598 -12.689 1.00 61.10 H new ATOM 0 HH TYR A 92 -0.503 12.424 -12.067 1.00 11.54 H new ATOM 1487 N LYS A 93 -4.232 19.654 -7.591 1.00 53.41 N ATOM 1488 CA LYS A 93 -4.047 21.031 -7.139 1.00 75.44 C ATOM 1489 C LYS A 93 -4.845 21.325 -5.867 1.00 25.03 C ATOM 1490 O LYS A 93 -4.594 22.322 -5.193 1.00 51.50 O ATOM 1491 CB LYS A 93 -4.508 21.983 -8.245 1.00 14.33 C ATOM 1492 CG LYS A 93 -3.861 23.360 -8.054 1.00 41.01 C ATOM 1493 CD LYS A 93 -4.626 24.405 -8.869 1.00 31.43 C ATOM 1494 CE LYS A 93 -4.490 24.092 -10.361 1.00 11.33 C ATOM 1495 NZ LYS A 93 -4.935 25.270 -11.157 1.00 15.34 N ATOM 0 H LYS A 93 -5.059 19.183 -7.225 1.00 53.41 H new ATOM 0 HA LYS A 93 -2.990 21.174 -6.915 1.00 75.44 H new ATOM 0 HB2 LYS A 93 -4.239 21.578 -9.221 1.00 14.33 H new ATOM 0 HB3 LYS A 93 -5.594 22.076 -8.227 1.00 14.33 H new ATOM 0 HG2 LYS A 93 -3.866 23.632 -6.999 1.00 41.01 H new ATOM 0 HG3 LYS A 93 -2.818 23.330 -8.370 1.00 41.01 H new ATOM 0 HD2 LYS A 93 -5.677 24.407 -8.582 1.00 31.43 H new ATOM 0 HD3 LYS A 93 -4.237 25.401 -8.659 1.00 31.43 H new ATOM 0 HE2 LYS A 93 -3.455 23.848 -10.600 1.00 11.33 H new ATOM 0 HE3 LYS A 93 -5.090 23.219 -10.617 1.00 11.33 H new ATOM 0 HZ1 LYS A 93 -4.843 25.059 -12.171 1.00 15.34 H new ATOM 0 HZ2 LYS A 93 -5.929 25.483 -10.936 1.00 15.34 H new ATOM 0 HZ3 LYS A 93 -4.344 26.092 -10.920 1.00 15.34 H new ATOM 1509 N SER A 94 -5.819 20.474 -5.553 1.00 32.43 N ATOM 1510 CA SER A 94 -6.652 20.685 -4.365 1.00 4.11 C ATOM 1511 C SER A 94 -6.789 19.403 -3.553 1.00 32.02 C ATOM 1512 O SER A 94 -6.505 19.381 -2.356 1.00 70.34 O ATOM 1513 CB SER A 94 -8.041 21.164 -4.789 1.00 72.20 C ATOM 1514 OG SER A 94 -7.907 22.217 -5.733 1.00 51.42 O ATOM 0 H SER A 94 -6.051 19.641 -6.095 1.00 32.43 H new ATOM 0 HA SER A 94 -6.170 21.439 -3.743 1.00 4.11 H new ATOM 0 HB2 SER A 94 -8.605 20.339 -5.225 1.00 72.20 H new ATOM 0 HB3 SER A 94 -8.600 21.509 -3.919 1.00 72.20 H new ATOM 0 HG SER A 94 -7.743 21.840 -6.623 1.00 51.42 H new ATOM 1520 N TYR A 95 -7.235 18.341 -4.210 1.00 55.23 N ATOM 1521 CA TYR A 95 -7.415 17.057 -3.537 1.00 10.25 C ATOM 1522 C TYR A 95 -7.455 15.924 -4.554 1.00 15.01 C ATOM 1523 O TYR A 95 -7.625 16.158 -5.748 1.00 62.22 O ATOM 1524 CB TYR A 95 -8.718 17.071 -2.737 1.00 62.10 C ATOM 1525 CG TYR A 95 -9.838 17.579 -3.613 1.00 44.32 C ATOM 1526 CD1 TYR A 95 -10.547 16.691 -4.430 1.00 41.20 C ATOM 1527 CD2 TYR A 95 -10.168 18.941 -3.610 1.00 31.43 C ATOM 1528 CE1 TYR A 95 -11.585 17.162 -5.243 1.00 10.40 C ATOM 1529 CE2 TYR A 95 -11.205 19.413 -4.423 1.00 15.31 C ATOM 1530 CZ TYR A 95 -11.914 18.523 -5.240 1.00 3.43 C ATOM 1531 OH TYR A 95 -12.937 18.988 -6.041 1.00 2.42 O ATOM 0 H TYR A 95 -7.478 18.340 -5.201 1.00 55.23 H new ATOM 0 HA TYR A 95 -6.574 16.896 -2.863 1.00 10.25 H new ATOM 0 HB2 TYR A 95 -8.948 16.068 -2.378 1.00 62.10 H new ATOM 0 HB3 TYR A 95 -8.611 17.707 -1.858 1.00 62.10 H new ATOM 0 HD1 TYR A 95 -10.293 15.641 -4.433 1.00 41.20 H new ATOM 0 HD2 TYR A 95 -9.622 19.627 -2.980 1.00 31.43 H new ATOM 0 HE1 TYR A 95 -12.132 16.476 -5.872 1.00 10.40 H new ATOM 0 HE2 TYR A 95 -11.458 20.463 -4.420 1.00 15.31 H new ATOM 0 HH TYR A 95 -13.035 19.955 -5.918 1.00 2.42 H new ATOM 1541 N ALA A 96 -7.293 14.691 -4.081 1.00 33.31 N ATOM 1542 CA ALA A 96 -7.311 13.545 -4.983 1.00 74.55 C ATOM 1543 C ALA A 96 -7.726 12.269 -4.258 1.00 74.33 C ATOM 1544 O ALA A 96 -7.421 12.078 -3.083 1.00 15.54 O ATOM 1545 CB ALA A 96 -5.922 13.347 -5.596 1.00 75.12 C ATOM 0 H ALA A 96 -7.150 14.463 -3.097 1.00 33.31 H new ATOM 0 HA ALA A 96 -8.042 13.748 -5.766 1.00 74.55 H new ATOM 0 HB1 ALA A 96 -5.940 12.490 -6.269 1.00 75.12 H new ATOM 0 HB2 ALA A 96 -5.640 14.240 -6.153 1.00 75.12 H new ATOM 0 HB3 ALA A 96 -5.196 13.170 -4.803 1.00 75.12 H new ATOM 1551 N VAL A 97 -8.414 11.394 -4.987 1.00 30.22 N ATOM 1552 CA VAL A 97 -8.865 10.112 -4.442 1.00 42.51 C ATOM 1553 C VAL A 97 -8.166 9.000 -5.206 1.00 44.40 C ATOM 1554 O VAL A 97 -8.238 8.960 -6.434 1.00 60.30 O ATOM 1555 CB VAL A 97 -10.381 9.980 -4.600 1.00 65.01 C ATOM 1556 CG1 VAL A 97 -10.863 8.701 -3.914 1.00 64.11 C ATOM 1557 CG2 VAL A 97 -11.062 11.191 -3.960 1.00 22.32 C ATOM 0 H VAL A 97 -8.673 11.549 -5.961 1.00 30.22 H new ATOM 0 HA VAL A 97 -8.623 10.050 -3.381 1.00 42.51 H new ATOM 0 HB VAL A 97 -10.633 9.935 -5.660 1.00 65.01 H new ATOM 0 HG11 VAL A 97 -11.943 8.611 -4.029 1.00 64.11 H new ATOM 0 HG12 VAL A 97 -10.377 7.838 -4.369 1.00 64.11 H new ATOM 0 HG13 VAL A 97 -10.613 8.740 -2.854 1.00 64.11 H new ATOM 0 HG21 VAL A 97 -12.143 11.101 -4.070 1.00 22.32 H new ATOM 0 HG22 VAL A 97 -10.808 11.234 -2.901 1.00 22.32 H new ATOM 0 HG23 VAL A 97 -10.722 12.102 -4.452 1.00 22.32 H new ATOM 1567 N ILE A 98 -7.439 8.129 -4.505 1.00 25.41 N ATOM 1568 CA ILE A 98 -6.681 7.071 -5.167 1.00 61.15 C ATOM 1569 C ILE A 98 -6.991 5.694 -4.578 1.00 32.24 C ATOM 1570 O ILE A 98 -7.262 5.557 -3.384 1.00 53.35 O ATOM 1571 CB ILE A 98 -5.197 7.378 -4.971 1.00 61.10 C ATOM 1572 CG1 ILE A 98 -4.918 8.821 -5.414 1.00 14.24 C ATOM 1573 CG2 ILE A 98 -4.325 6.416 -5.787 1.00 62.13 C ATOM 1574 CD1 ILE A 98 -3.505 9.221 -4.995 1.00 44.22 C ATOM 0 H ILE A 98 -7.360 8.136 -3.488 1.00 25.41 H new ATOM 0 HA ILE A 98 -6.953 7.044 -6.222 1.00 61.15 H new ATOM 0 HB ILE A 98 -4.952 7.254 -3.916 1.00 61.10 H new ATOM 0 HG12 ILE A 98 -5.026 8.908 -6.495 1.00 14.24 H new ATOM 0 HG13 ILE A 98 -5.646 9.497 -4.966 1.00 14.24 H new ATOM 0 HG21 ILE A 98 -3.273 6.656 -5.630 1.00 62.13 H new ATOM 0 HG22 ILE A 98 -4.515 5.392 -5.467 1.00 62.13 H new ATOM 0 HG23 ILE A 98 -4.566 6.516 -6.845 1.00 62.13 H new ATOM 0 HD11 ILE A 98 -3.308 10.246 -5.310 1.00 44.22 H new ATOM 0 HD12 ILE A 98 -3.413 9.151 -3.911 1.00 44.22 H new ATOM 0 HD13 ILE A 98 -2.783 8.552 -5.464 1.00 44.22 H new ATOM 1586 N TYR A 99 -6.940 4.683 -5.439 1.00 53.24 N ATOM 1587 CA TYR A 99 -7.206 3.305 -5.030 1.00 23.15 C ATOM 1588 C TYR A 99 -5.894 2.579 -4.735 1.00 61.34 C ATOM 1589 O TYR A 99 -5.102 2.306 -5.637 1.00 12.32 O ATOM 1590 CB TYR A 99 -7.962 2.573 -6.142 1.00 70.10 C ATOM 1591 CG TYR A 99 -8.569 1.300 -5.598 1.00 33.33 C ATOM 1592 CD1 TYR A 99 -9.798 1.341 -4.930 1.00 60.32 C ATOM 1593 CD2 TYR A 99 -7.905 0.079 -5.768 1.00 34.55 C ATOM 1594 CE1 TYR A 99 -10.364 0.162 -4.430 1.00 45.42 C ATOM 1595 CE2 TYR A 99 -8.471 -1.101 -5.269 1.00 2.30 C ATOM 1596 CZ TYR A 99 -9.700 -1.059 -4.600 1.00 14.12 C ATOM 1597 OH TYR A 99 -10.258 -2.222 -4.109 1.00 72.31 O ATOM 0 H TYR A 99 -6.716 4.791 -6.428 1.00 53.24 H new ATOM 0 HA TYR A 99 -7.814 3.317 -4.125 1.00 23.15 H new ATOM 0 HB2 TYR A 99 -8.744 3.216 -6.546 1.00 70.10 H new ATOM 0 HB3 TYR A 99 -7.284 2.341 -6.963 1.00 70.10 H new ATOM 0 HD1 TYR A 99 -10.310 2.283 -4.800 1.00 60.32 H new ATOM 0 HD2 TYR A 99 -6.957 0.047 -6.284 1.00 34.55 H new ATOM 0 HE1 TYR A 99 -11.312 0.194 -3.914 1.00 45.42 H new ATOM 0 HE2 TYR A 99 -7.959 -2.043 -5.400 1.00 2.30 H new ATOM 0 HH TYR A 99 -9.669 -2.979 -4.313 1.00 72.31 H new ATOM 1607 N ALA A 100 -5.675 2.285 -3.455 1.00 61.15 N ATOM 1608 CA ALA A 100 -4.453 1.604 -3.022 1.00 74.52 C ATOM 1609 C ALA A 100 -4.724 0.125 -2.760 1.00 15.42 C ATOM 1610 O ALA A 100 -5.695 -0.231 -2.094 1.00 3.20 O ATOM 1611 CB ALA A 100 -3.912 2.256 -1.746 1.00 23.01 C ATOM 0 H ALA A 100 -6.325 2.506 -2.700 1.00 61.15 H new ATOM 0 HA ALA A 100 -3.713 1.692 -3.818 1.00 74.52 H new ATOM 0 HB1 ALA A 100 -3.003 1.742 -1.432 1.00 23.01 H new ATOM 0 HB2 ALA A 100 -3.687 3.305 -1.940 1.00 23.01 H new ATOM 0 HB3 ALA A 100 -4.660 2.185 -0.956 1.00 23.01 H new ATOM 1617 N THR A 101 -3.860 -0.732 -3.302 1.00 22.14 N ATOM 1618 CA THR A 101 -4.003 -2.176 -3.136 1.00 2.44 C ATOM 1619 C THR A 101 -2.653 -2.802 -2.794 1.00 65.14 C ATOM 1620 O THR A 101 -1.676 -2.622 -3.518 1.00 34.23 O ATOM 1621 CB THR A 101 -4.540 -2.785 -4.437 1.00 71.34 C ATOM 1622 OG1 THR A 101 -5.674 -2.046 -4.865 1.00 60.50 O ATOM 1623 CG2 THR A 101 -4.939 -4.248 -4.215 1.00 45.34 C ATOM 0 H THR A 101 -3.054 -0.451 -3.860 1.00 22.14 H new ATOM 0 HA THR A 101 -4.700 -2.376 -2.322 1.00 2.44 H new ATOM 0 HB THR A 101 -3.760 -2.744 -5.198 1.00 71.34 H new ATOM 0 HG1 THR A 101 -6.421 -2.209 -4.252 1.00 60.50 H new ATOM 0 HG21 THR A 101 -5.318 -4.667 -5.147 1.00 45.34 H new ATOM 0 HG22 THR A 101 -4.068 -4.817 -3.889 1.00 45.34 H new ATOM 0 HG23 THR A 101 -5.714 -4.302 -3.451 1.00 45.34 H new ATOM 1631 N ARG A 102 -2.606 -3.540 -1.686 1.00 63.03 N ATOM 1632 CA ARG A 102 -1.371 -4.193 -1.252 1.00 41.10 C ATOM 1633 C ARG A 102 -1.619 -5.682 -1.097 1.00 45.01 C ATOM 1634 O ARG A 102 -2.577 -6.082 -0.434 1.00 64.44 O ATOM 1635 CB ARG A 102 -0.911 -3.605 0.086 1.00 61.23 C ATOM 1636 CG ARG A 102 0.309 -4.383 0.622 1.00 32.22 C ATOM 1637 CD ARG A 102 -0.128 -5.362 1.719 1.00 63.32 C ATOM 1638 NE ARG A 102 0.903 -6.371 1.936 1.00 44.34 N ATOM 1639 CZ ARG A 102 1.933 -6.141 2.745 1.00 61.05 C ATOM 1640 NH1 ARG A 102 2.037 -4.993 3.357 1.00 43.54 N ATOM 1641 NH2 ARG A 102 2.839 -7.062 2.926 1.00 22.11 N ATOM 0 H ARG A 102 -3.406 -3.701 -1.074 1.00 63.03 H new ATOM 0 HA ARG A 102 -0.594 -4.027 -1.998 1.00 41.10 H new ATOM 0 HB2 ARG A 102 -0.653 -2.553 -0.041 1.00 61.23 H new ATOM 0 HB3 ARG A 102 -1.725 -3.649 0.809 1.00 61.23 H new ATOM 0 HG2 ARG A 102 0.789 -4.927 -0.192 1.00 32.22 H new ATOM 0 HG3 ARG A 102 1.048 -3.687 1.019 1.00 32.22 H new ATOM 0 HD2 ARG A 102 -0.317 -4.820 2.646 1.00 63.32 H new ATOM 0 HD3 ARG A 102 -1.064 -5.843 1.435 1.00 63.32 H new ATOM 0 HE ARG A 102 0.833 -7.269 1.458 1.00 44.34 H new ATOM 0 HH11 ARG A 102 1.329 -4.273 3.215 1.00 43.54 H new ATOM 0 HH12 ARG A 102 2.827 -4.816 3.978 1.00 43.54 H new ATOM 0 HH21 ARG A 102 2.757 -7.959 2.447 1.00 22.11 H new ATOM 0 HH22 ARG A 102 3.629 -6.885 3.547 1.00 22.11 H new ATOM 1655 N VAL A 103 -0.780 -6.513 -1.720 1.00 70.43 N ATOM 1656 CA VAL A 103 -0.963 -7.959 -1.641 1.00 10.05 C ATOM 1657 C VAL A 103 0.230 -8.622 -0.969 1.00 54.11 C ATOM 1658 O VAL A 103 1.356 -8.547 -1.459 1.00 2.21 O ATOM 1659 CB VAL A 103 -1.147 -8.523 -3.058 1.00 31.23 C ATOM 1660 CG1 VAL A 103 0.089 -8.205 -3.908 1.00 51.32 C ATOM 1661 CG2 VAL A 103 -1.349 -10.042 -3.000 1.00 33.31 C ATOM 0 H VAL A 103 0.021 -6.213 -2.276 1.00 70.43 H new ATOM 0 HA VAL A 103 -1.849 -8.169 -1.041 1.00 10.05 H new ATOM 0 HB VAL A 103 -2.027 -8.062 -3.508 1.00 31.23 H new ATOM 0 HG11 VAL A 103 -0.047 -8.607 -4.912 1.00 51.32 H new ATOM 0 HG12 VAL A 103 0.223 -7.125 -3.965 1.00 51.32 H new ATOM 0 HG13 VAL A 103 0.970 -8.657 -3.452 1.00 51.32 H new ATOM 0 HG21 VAL A 103 -1.478 -10.431 -4.010 1.00 33.31 H new ATOM 0 HG22 VAL A 103 -0.477 -10.508 -2.541 1.00 33.31 H new ATOM 0 HG23 VAL A 103 -2.235 -10.269 -2.408 1.00 33.31 H new ATOM 1671 N LYS A 104 -0.028 -9.284 0.155 1.00 41.30 N ATOM 1672 CA LYS A 104 1.016 -9.979 0.892 1.00 42.44 C ATOM 1673 C LYS A 104 1.008 -11.448 0.498 1.00 54.14 C ATOM 1674 O LYS A 104 0.087 -11.908 -0.177 1.00 32.45 O ATOM 1675 CB LYS A 104 0.774 -9.837 2.400 1.00 51.32 C ATOM 1676 CG LYS A 104 1.987 -10.360 3.176 1.00 75.04 C ATOM 1677 CD LYS A 104 1.924 -9.859 4.622 1.00 50.41 C ATOM 1678 CE LYS A 104 0.614 -10.315 5.267 1.00 54.34 C ATOM 1679 NZ LYS A 104 0.352 -11.739 4.913 1.00 25.13 N ATOM 0 H LYS A 104 -0.955 -9.352 0.574 1.00 41.30 H new ATOM 0 HA LYS A 104 1.986 -9.543 0.653 1.00 42.44 H new ATOM 0 HB2 LYS A 104 0.594 -8.792 2.651 1.00 51.32 H new ATOM 0 HB3 LYS A 104 -0.119 -10.392 2.687 1.00 51.32 H new ATOM 0 HG2 LYS A 104 2.001 -11.450 3.158 1.00 75.04 H new ATOM 0 HG3 LYS A 104 2.909 -10.021 2.702 1.00 75.04 H new ATOM 0 HD2 LYS A 104 2.773 -10.243 5.188 1.00 50.41 H new ATOM 0 HD3 LYS A 104 1.992 -8.771 4.644 1.00 50.41 H new ATOM 0 HE2 LYS A 104 0.672 -10.204 6.350 1.00 54.34 H new ATOM 0 HE3 LYS A 104 -0.209 -9.687 4.925 1.00 54.34 H new ATOM 0 HZ1 LYS A 104 -0.181 -12.195 5.681 1.00 25.13 H new ATOM 0 HZ2 LYS A 104 -0.202 -11.782 4.034 1.00 25.13 H new ATOM 0 HZ3 LYS A 104 1.256 -12.235 4.777 1.00 25.13 H new ATOM 1693 N ASP A 105 2.032 -12.180 0.900 1.00 3.11 N ATOM 1694 CA ASP A 105 2.110 -13.589 0.553 1.00 35.33 C ATOM 1695 C ASP A 105 0.881 -14.339 1.062 1.00 3.02 C ATOM 1696 O ASP A 105 0.733 -14.574 2.261 1.00 72.23 O ATOM 1697 CB ASP A 105 3.372 -14.206 1.157 1.00 23.03 C ATOM 1698 CG ASP A 105 4.611 -13.618 0.489 1.00 34.35 C ATOM 1699 OD1 ASP A 105 4.456 -12.953 -0.521 1.00 41.32 O ATOM 1700 OD2 ASP A 105 5.697 -13.842 1.000 1.00 53.11 O ATOM 0 H ASP A 105 2.810 -11.830 1.459 1.00 3.11 H new ATOM 0 HA ASP A 105 2.147 -13.673 -0.533 1.00 35.33 H new ATOM 0 HB2 ASP A 105 3.402 -14.016 2.230 1.00 23.03 H new ATOM 0 HB3 ASP A 105 3.357 -15.288 1.025 1.00 23.03 H new ATOM 1705 N GLY A 106 0.022 -14.741 0.127 1.00 63.24 N ATOM 1706 CA GLY A 106 -1.179 -15.504 0.463 1.00 64.54 C ATOM 1707 C GLY A 106 -2.374 -14.617 0.819 1.00 13.22 C ATOM 1708 O GLY A 106 -3.464 -15.130 1.073 1.00 71.13 O ATOM 0 H GLY A 106 0.135 -14.551 -0.869 1.00 63.24 H new ATOM 0 HA2 GLY A 106 -1.445 -16.141 -0.381 1.00 64.54 H new ATOM 0 HA3 GLY A 106 -0.960 -16.163 1.303 1.00 64.54 H new ATOM 1712 N ARG A 107 -2.183 -13.297 0.856 1.00 24.31 N ATOM 1713 CA ARG A 107 -3.287 -12.395 1.210 1.00 34.31 C ATOM 1714 C ARG A 107 -3.341 -11.170 0.299 1.00 33.21 C ATOM 1715 O ARG A 107 -2.311 -10.658 -0.138 1.00 12.22 O ATOM 1716 CB ARG A 107 -3.132 -11.937 2.660 1.00 65.14 C ATOM 1717 CG ARG A 107 -3.009 -13.158 3.571 1.00 72.35 C ATOM 1718 CD ARG A 107 -2.916 -12.702 5.028 1.00 74.21 C ATOM 1719 NE ARG A 107 -2.459 -13.800 5.872 1.00 33.21 N ATOM 1720 CZ ARG A 107 -2.689 -13.802 7.182 1.00 12.54 C ATOM 1721 NH1 ARG A 107 -3.337 -12.811 7.731 1.00 41.13 N ATOM 1722 NH2 ARG A 107 -2.268 -14.795 7.917 1.00 32.22 N ATOM 0 H ARG A 107 -1.297 -12.834 0.651 1.00 24.31 H new ATOM 0 HA ARG A 107 -4.217 -12.949 1.083 1.00 34.31 H new ATOM 0 HB2 ARG A 107 -2.250 -11.305 2.760 1.00 65.14 H new ATOM 0 HB3 ARG A 107 -3.991 -11.335 2.956 1.00 65.14 H new ATOM 0 HG2 ARG A 107 -3.871 -13.812 3.438 1.00 72.35 H new ATOM 0 HG3 ARG A 107 -2.125 -13.737 3.303 1.00 72.35 H new ATOM 0 HD2 ARG A 107 -2.228 -11.860 5.110 1.00 74.21 H new ATOM 0 HD3 ARG A 107 -3.890 -12.352 5.370 1.00 74.21 H new ATOM 0 HE ARG A 107 -1.954 -14.580 5.450 1.00 33.21 H new ATOM 0 HH11 ARG A 107 -3.667 -12.036 7.156 1.00 41.13 H new ATOM 0 HH12 ARG A 107 -3.514 -12.812 8.736 1.00 41.13 H new ATOM 0 HH21 ARG A 107 -1.763 -15.569 7.487 1.00 32.22 H new ATOM 0 HH22 ARG A 107 -2.444 -14.796 8.922 1.00 32.22 H new ATOM 1736 N THR A 108 -4.564 -10.696 0.046 1.00 21.31 N ATOM 1737 CA THR A 108 -4.792 -9.514 -0.789 1.00 3.44 C ATOM 1738 C THR A 108 -5.418 -8.412 0.053 1.00 34.05 C ATOM 1739 O THR A 108 -6.017 -8.686 1.093 1.00 54.34 O ATOM 1740 CB THR A 108 -5.723 -9.865 -1.953 1.00 44.21 C ATOM 1741 OG1 THR A 108 -5.106 -10.850 -2.770 1.00 23.54 O ATOM 1742 CG2 THR A 108 -6.002 -8.610 -2.782 1.00 62.20 C ATOM 0 H THR A 108 -5.418 -11.117 0.411 1.00 21.31 H new ATOM 0 HA THR A 108 -3.839 -9.170 -1.190 1.00 3.44 H new ATOM 0 HB THR A 108 -6.663 -10.255 -1.563 1.00 44.21 H new ATOM 0 HG1 THR A 108 -5.701 -11.077 -3.515 1.00 23.54 H new ATOM 0 HG21 THR A 108 -6.665 -8.861 -3.610 1.00 62.20 H new ATOM 0 HG22 THR A 108 -6.476 -7.857 -2.153 1.00 62.20 H new ATOM 0 HG23 THR A 108 -5.064 -8.217 -3.174 1.00 62.20 H new ATOM 1750 N LEU A 109 -5.271 -7.163 -0.381 1.00 1.25 N ATOM 1751 CA LEU A 109 -5.826 -6.046 0.378 1.00 44.12 C ATOM 1752 C LEU A 109 -6.212 -4.888 -0.520 1.00 21.02 C ATOM 1753 O LEU A 109 -5.647 -4.694 -1.595 1.00 0.23 O ATOM 1754 CB LEU A 109 -4.796 -5.550 1.393 1.00 1.31 C ATOM 1755 CG LEU A 109 -5.496 -4.837 2.561 1.00 74.42 C ATOM 1756 CD1 LEU A 109 -6.024 -5.866 3.578 1.00 53.21 C ATOM 1757 CD2 LEU A 109 -4.497 -3.898 3.247 1.00 22.22 C ATOM 0 H LEU A 109 -4.782 -6.902 -1.237 1.00 1.25 H new ATOM 0 HA LEU A 109 -6.722 -6.409 0.881 1.00 44.12 H new ATOM 0 HB2 LEU A 109 -4.212 -6.390 1.769 1.00 1.31 H new ATOM 0 HB3 LEU A 109 -4.097 -4.868 0.908 1.00 1.31 H new ATOM 0 HG LEU A 109 -6.340 -4.264 2.177 1.00 74.42 H new ATOM 0 HD11 LEU A 109 -6.517 -5.346 4.399 1.00 53.21 H new ATOM 0 HD12 LEU A 109 -6.737 -6.529 3.088 1.00 53.21 H new ATOM 0 HD13 LEU A 109 -5.192 -6.453 3.968 1.00 53.21 H new ATOM 0 HD21 LEU A 109 -4.987 -3.389 4.077 1.00 22.22 H new ATOM 0 HD22 LEU A 109 -3.653 -4.477 3.624 1.00 22.22 H new ATOM 0 HD23 LEU A 109 -4.139 -3.160 2.529 1.00 22.22 H new ATOM 1769 N HIS A 110 -7.162 -4.103 -0.039 1.00 74.14 N ATOM 1770 CA HIS A 110 -7.617 -2.931 -0.764 1.00 2.42 C ATOM 1771 C HIS A 110 -7.954 -1.815 0.216 1.00 61.44 C ATOM 1772 O HIS A 110 -8.441 -2.076 1.316 1.00 4.14 O ATOM 1773 CB HIS A 110 -8.844 -3.271 -1.611 1.00 4.35 C ATOM 1774 CG HIS A 110 -9.833 -4.039 -0.777 1.00 42.25 C ATOM 1775 ND1 HIS A 110 -11.108 -3.563 -0.517 1.00 22.43 N ATOM 1776 CD2 HIS A 110 -9.746 -5.250 -0.136 1.00 72.54 C ATOM 1777 CE1 HIS A 110 -11.732 -4.475 0.251 1.00 13.53 C ATOM 1778 NE2 HIS A 110 -10.947 -5.523 0.512 1.00 3.34 N ATOM 0 H HIS A 110 -7.633 -4.258 0.852 1.00 74.14 H new ATOM 0 HA HIS A 110 -6.818 -2.597 -1.426 1.00 2.42 H new ATOM 0 HB2 HIS A 110 -9.303 -2.357 -1.989 1.00 4.35 H new ATOM 0 HB3 HIS A 110 -8.548 -3.861 -2.478 1.00 4.35 H new ATOM 0 HD1 HIS A 110 -11.502 -2.682 -0.847 1.00 22.43 H new ATOM 0 HD2 HIS A 110 -8.878 -5.893 -0.135 1.00 72.54 H new ATOM 0 HE1 HIS A 110 -12.745 -4.372 0.612 1.00 13.53 H new ATOM 1786 N MET A 111 -7.702 -0.569 -0.180 1.00 73.00 N ATOM 1787 CA MET A 111 -7.998 0.566 0.687 1.00 41.14 C ATOM 1788 C MET A 111 -8.177 1.838 -0.139 1.00 62.23 C ATOM 1789 O MET A 111 -7.532 2.013 -1.172 1.00 11.35 O ATOM 1790 CB MET A 111 -6.865 0.760 1.710 1.00 54.23 C ATOM 1791 CG MET A 111 -5.549 0.240 1.133 1.00 11.02 C ATOM 1792 SD MET A 111 -4.170 0.923 2.084 1.00 15.40 S ATOM 1793 CE MET A 111 -4.544 0.100 3.650 1.00 40.11 C ATOM 0 H MET A 111 -7.299 -0.323 -1.084 1.00 73.00 H new ATOM 0 HA MET A 111 -8.927 0.362 1.219 1.00 41.14 H new ATOM 0 HB2 MET A 111 -6.769 1.816 1.964 1.00 54.23 H new ATOM 0 HB3 MET A 111 -7.102 0.231 2.633 1.00 54.23 H new ATOM 0 HG2 MET A 111 -5.527 -0.849 1.170 1.00 11.02 H new ATOM 0 HG3 MET A 111 -5.460 0.525 0.085 1.00 11.02 H new ATOM 0 HE1 MET A 111 -3.626 -0.026 4.223 1.00 40.11 H new ATOM 0 HE2 MET A 111 -5.248 0.706 4.221 1.00 40.11 H new ATOM 0 HE3 MET A 111 -4.985 -0.877 3.451 1.00 40.11 H new ATOM 1803 N MET A 112 -9.043 2.730 0.335 1.00 12.55 N ATOM 1804 CA MET A 112 -9.288 3.998 -0.351 1.00 21.34 C ATOM 1805 C MET A 112 -8.723 5.143 0.483 1.00 60.43 C ATOM 1806 O MET A 112 -8.730 5.084 1.713 1.00 63.12 O ATOM 1807 CB MET A 112 -10.795 4.204 -0.561 1.00 24.24 C ATOM 1808 CG MET A 112 -11.031 5.232 -1.672 1.00 34.21 C ATOM 1809 SD MET A 112 -10.898 4.418 -3.285 1.00 52.03 S ATOM 1810 CE MET A 112 -12.256 5.290 -4.105 1.00 62.30 C ATOM 0 H MET A 112 -9.586 2.600 1.189 1.00 12.55 H new ATOM 0 HA MET A 112 -8.797 3.978 -1.324 1.00 21.34 H new ATOM 0 HB2 MET A 112 -11.267 3.257 -0.823 1.00 24.24 H new ATOM 0 HB3 MET A 112 -11.257 4.545 0.366 1.00 24.24 H new ATOM 0 HG2 MET A 112 -12.017 5.684 -1.561 1.00 34.21 H new ATOM 0 HG3 MET A 112 -10.301 6.038 -1.598 1.00 34.21 H new ATOM 0 HE1 MET A 112 -12.030 5.400 -5.166 1.00 62.30 H new ATOM 0 HE2 MET A 112 -13.178 4.720 -3.987 1.00 62.30 H new ATOM 0 HE3 MET A 112 -12.379 6.276 -3.656 1.00 62.30 H new ATOM 1820 N ARG A 113 -8.226 6.180 -0.183 1.00 34.35 N ATOM 1821 CA ARG A 113 -7.652 7.324 0.524 1.00 24.33 C ATOM 1822 C ARG A 113 -7.973 8.624 -0.202 1.00 31.12 C ATOM 1823 O ARG A 113 -8.291 8.619 -1.392 1.00 0.13 O ATOM 1824 CB ARG A 113 -6.134 7.165 0.626 1.00 4.41 C ATOM 1825 CG ARG A 113 -5.793 5.770 1.156 1.00 54.44 C ATOM 1826 CD ARG A 113 -4.324 5.728 1.586 1.00 61.22 C ATOM 1827 NE ARG A 113 -4.030 4.468 2.262 1.00 62.31 N ATOM 1828 CZ ARG A 113 -2.777 4.067 2.452 1.00 24.31 C ATOM 1829 NH1 ARG A 113 -1.785 4.798 2.020 1.00 71.52 N ATOM 1830 NH2 ARG A 113 -2.539 2.943 3.069 1.00 30.23 N ATOM 0 H ARG A 113 -8.208 6.254 -1.200 1.00 34.35 H new ATOM 0 HA ARG A 113 -8.087 7.361 1.523 1.00 24.33 H new ATOM 0 HB2 ARG A 113 -5.677 7.314 -0.352 1.00 4.41 H new ATOM 0 HB3 ARG A 113 -5.723 7.926 1.289 1.00 4.41 H new ATOM 0 HG2 ARG A 113 -6.437 5.524 2.000 1.00 54.44 H new ATOM 0 HG3 ARG A 113 -5.978 5.022 0.385 1.00 54.44 H new ATOM 0 HD2 ARG A 113 -3.679 5.840 0.714 1.00 61.22 H new ATOM 0 HD3 ARG A 113 -4.109 6.564 2.251 1.00 61.22 H new ATOM 0 HE ARG A 113 -4.799 3.886 2.594 1.00 62.31 H new ATOM 0 HH11 ARG A 113 -1.972 5.677 1.537 1.00 71.52 H new ATOM 0 HH12 ARG A 113 -0.823 4.490 2.166 1.00 71.52 H new ATOM 0 HH21 ARG A 113 -3.314 2.372 3.406 1.00 30.23 H new ATOM 0 HH22 ARG A 113 -1.578 2.635 3.215 1.00 30.23 H new ATOM 1844 N LEU A 114 -7.870 9.740 0.518 1.00 65.42 N ATOM 1845 CA LEU A 114 -8.134 11.056 -0.074 1.00 33.01 C ATOM 1846 C LEU A 114 -7.002 12.013 0.289 1.00 14.45 C ATOM 1847 O LEU A 114 -6.561 12.066 1.437 1.00 44.00 O ATOM 1848 CB LEU A 114 -9.528 11.575 0.382 1.00 20.54 C ATOM 1849 CG LEU A 114 -9.476 13.019 0.935 1.00 10.22 C ATOM 1850 CD1 LEU A 114 -9.368 14.012 -0.229 1.00 43.22 C ATOM 1851 CD2 LEU A 114 -10.758 13.305 1.737 1.00 25.23 C ATOM 0 H LEU A 114 -7.608 9.763 1.504 1.00 65.42 H new ATOM 0 HA LEU A 114 -8.164 10.982 -1.161 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -10.218 11.538 -0.461 1.00 20.54 H new ATOM 0 HB3 LEU A 114 -9.925 10.911 1.149 1.00 20.54 H new ATOM 0 HG LEU A 114 -8.607 13.128 1.584 1.00 10.22 H new ATOM 0 HD11 LEU A 114 -9.332 15.029 0.162 1.00 43.22 H new ATOM 0 HD12 LEU A 114 -8.460 13.809 -0.797 1.00 43.22 H new ATOM 0 HD13 LEU A 114 -10.235 13.905 -0.880 1.00 43.22 H new ATOM 0 HD21 LEU A 114 -10.724 14.322 2.128 1.00 25.23 H new ATOM 0 HD22 LEU A 114 -11.626 13.195 1.087 1.00 25.23 H new ATOM 0 HD23 LEU A 114 -10.834 12.601 2.565 1.00 25.23 H new ATOM 1863 N TYR A 115 -6.517 12.747 -0.709 1.00 41.23 N ATOM 1864 CA TYR A 115 -5.414 13.684 -0.508 1.00 35.42 C ATOM 1865 C TYR A 115 -5.895 15.130 -0.531 1.00 43.40 C ATOM 1866 O TYR A 115 -6.983 15.427 -1.025 1.00 11.25 O ATOM 1867 CB TYR A 115 -4.358 13.476 -1.593 1.00 64.12 C ATOM 1868 CG TYR A 115 -3.772 12.090 -1.456 1.00 63.00 C ATOM 1869 CD1 TYR A 115 -4.548 10.967 -1.772 1.00 23.32 C ATOM 1870 CD2 TYR A 115 -2.457 11.925 -1.007 1.00 62.34 C ATOM 1871 CE1 TYR A 115 -4.011 9.683 -1.636 1.00 1.21 C ATOM 1872 CE2 TYR A 115 -1.920 10.641 -0.874 1.00 11.23 C ATOM 1873 CZ TYR A 115 -2.697 9.519 -1.188 1.00 21.35 C ATOM 1874 OH TYR A 115 -2.172 8.251 -1.052 1.00 24.05 O ATOM 0 H TYR A 115 -6.870 12.711 -1.665 1.00 41.23 H new ATOM 0 HA TYR A 115 -4.982 13.489 0.474 1.00 35.42 H new ATOM 0 HB2 TYR A 115 -4.804 13.599 -2.580 1.00 64.12 H new ATOM 0 HB3 TYR A 115 -3.573 14.227 -1.502 1.00 64.12 H new ATOM 0 HD1 TYR A 115 -5.562 11.093 -2.121 1.00 23.32 H new ATOM 0 HD2 TYR A 115 -1.857 12.789 -0.763 1.00 62.34 H new ATOM 0 HE1 TYR A 115 -4.611 8.818 -1.877 1.00 1.21 H new ATOM 0 HE2 TYR A 115 -0.905 10.514 -0.529 1.00 11.23 H new ATOM 0 HH TYR A 115 -2.902 7.600 -0.992 1.00 24.05 H new ATOM 1884 N SER A 116 -5.063 16.028 -0.006 1.00 23.20 N ATOM 1885 CA SER A 116 -5.380 17.454 0.028 1.00 54.05 C ATOM 1886 C SER A 116 -4.147 18.256 -0.366 1.00 53.25 C ATOM 1887 O SER A 116 -3.022 17.845 -0.094 1.00 35.31 O ATOM 1888 CB SER A 116 -5.817 17.866 1.436 1.00 20.03 C ATOM 1889 OG SER A 116 -6.224 19.227 1.419 1.00 51.40 O ATOM 0 H SER A 116 -4.159 15.791 0.404 1.00 23.20 H new ATOM 0 HA SER A 116 -6.193 17.651 -0.671 1.00 54.05 H new ATOM 0 HB2 SER A 116 -6.637 17.233 1.775 1.00 20.03 H new ATOM 0 HB3 SER A 116 -4.996 17.728 2.140 1.00 20.03 H new ATOM 0 HG SER A 116 -5.913 19.672 2.235 1.00 51.40 H new ATOM 1895 N ARG A 117 -4.350 19.401 -1.002 1.00 35.02 N ATOM 1896 CA ARG A 117 -3.225 20.236 -1.410 1.00 71.21 C ATOM 1897 C ARG A 117 -2.755 21.081 -0.236 1.00 13.41 C ATOM 1898 O ARG A 117 -1.627 21.571 -0.213 1.00 44.44 O ATOM 1899 CB ARG A 117 -3.643 21.149 -2.561 1.00 40.43 C ATOM 1900 CG ARG A 117 -2.414 21.872 -3.136 1.00 11.15 C ATOM 1901 CD ARG A 117 -1.468 20.869 -3.813 1.00 3.14 C ATOM 1902 NE ARG A 117 -0.720 21.530 -4.876 1.00 73.35 N ATOM 1903 CZ ARG A 117 0.177 22.472 -4.604 1.00 71.11 C ATOM 1904 NH1 ARG A 117 0.402 22.820 -3.367 1.00 45.01 N ATOM 1905 NH2 ARG A 117 0.833 23.049 -5.573 1.00 11.31 N ATOM 0 H ARG A 117 -5.269 19.771 -1.245 1.00 35.02 H new ATOM 0 HA ARG A 117 -2.410 19.592 -1.740 1.00 71.21 H new ATOM 0 HB2 ARG A 117 -4.128 20.563 -3.342 1.00 40.43 H new ATOM 0 HB3 ARG A 117 -4.373 21.879 -2.210 1.00 40.43 H new ATOM 0 HG2 ARG A 117 -2.732 22.625 -3.857 1.00 11.15 H new ATOM 0 HG3 ARG A 117 -1.887 22.397 -2.339 1.00 11.15 H new ATOM 0 HD2 ARG A 117 -0.780 20.452 -3.078 1.00 3.14 H new ATOM 0 HD3 ARG A 117 -2.040 20.036 -4.223 1.00 3.14 H new ATOM 0 HE ARG A 117 -0.888 21.264 -5.846 1.00 73.35 H new ATOM 0 HH11 ARG A 117 -0.110 22.369 -2.609 1.00 45.01 H new ATOM 0 HH12 ARG A 117 1.090 23.543 -3.158 1.00 45.01 H new ATOM 0 HH21 ARG A 117 0.658 22.777 -6.540 1.00 11.31 H new ATOM 0 HH22 ARG A 117 1.521 23.772 -5.363 1.00 11.31 H new ATOM 1919 N SER A 118 -3.635 21.236 0.745 1.00 32.40 N ATOM 1920 CA SER A 118 -3.325 22.016 1.942 1.00 63.20 C ATOM 1921 C SER A 118 -3.579 21.177 3.197 1.00 61.33 C ATOM 1922 O SER A 118 -4.524 20.388 3.236 1.00 30.25 O ATOM 1923 CB SER A 118 -4.202 23.266 1.973 1.00 51.41 C ATOM 1924 OG SER A 118 -3.876 24.045 3.117 1.00 31.33 O ATOM 0 H SER A 118 -4.572 20.832 0.737 1.00 32.40 H new ATOM 0 HA SER A 118 -2.275 22.306 1.918 1.00 63.20 H new ATOM 0 HB2 SER A 118 -4.051 23.852 1.066 1.00 51.41 H new ATOM 0 HB3 SER A 118 -5.255 22.984 1.999 1.00 51.41 H new ATOM 0 HG SER A 118 -4.437 24.848 3.137 1.00 31.33 H new ATOM 1930 N PRO A 119 -2.766 21.323 4.217 1.00 3.24 N ATOM 1931 CA PRO A 119 -2.926 20.558 5.485 1.00 44.12 C ATOM 1932 C PRO A 119 -4.393 20.364 5.869 1.00 72.42 C ATOM 1933 O PRO A 119 -4.732 19.441 6.610 1.00 71.12 O ATOM 1934 CB PRO A 119 -2.197 21.430 6.508 1.00 52.42 C ATOM 1935 CG PRO A 119 -1.114 22.116 5.734 1.00 34.50 C ATOM 1936 CD PRO A 119 -1.604 22.230 4.282 1.00 15.31 C ATOM 0 HA PRO A 119 -2.529 19.546 5.412 1.00 44.12 H new ATOM 0 HB2 PRO A 119 -2.874 22.152 6.964 1.00 52.42 H new ATOM 0 HB3 PRO A 119 -1.783 20.827 7.316 1.00 52.42 H new ATOM 0 HG2 PRO A 119 -0.908 23.102 6.150 1.00 34.50 H new ATOM 0 HG3 PRO A 119 -0.185 21.548 5.784 1.00 34.50 H new ATOM 0 HD2 PRO A 119 -1.885 23.254 4.036 1.00 15.31 H new ATOM 0 HD3 PRO A 119 -0.828 21.934 3.576 1.00 15.31 H new ATOM 1944 N GLU A 120 -5.258 21.241 5.365 1.00 12.04 N ATOM 1945 CA GLU A 120 -6.684 21.162 5.662 1.00 73.12 C ATOM 1946 C GLU A 120 -7.413 20.363 4.590 1.00 71.11 C ATOM 1947 O GLU A 120 -6.828 19.982 3.576 1.00 70.14 O ATOM 1948 CB GLU A 120 -7.278 22.568 5.731 1.00 71.14 C ATOM 1949 CG GLU A 120 -6.433 23.435 6.669 1.00 62.05 C ATOM 1950 CD GLU A 120 -7.093 24.797 6.853 1.00 43.35 C ATOM 1951 OE1 GLU A 120 -8.052 25.069 6.151 1.00 30.22 O ATOM 1952 OE2 GLU A 120 -6.628 25.548 7.695 1.00 53.21 O ATOM 0 H GLU A 120 -4.996 22.012 4.751 1.00 12.04 H new ATOM 0 HA GLU A 120 -6.807 20.661 6.622 1.00 73.12 H new ATOM 0 HB2 GLU A 120 -7.306 23.011 4.736 1.00 71.14 H new ATOM 0 HB3 GLU A 120 -8.307 22.522 6.089 1.00 71.14 H new ATOM 0 HG2 GLU A 120 -6.323 22.941 7.634 1.00 62.05 H new ATOM 0 HG3 GLU A 120 -5.431 23.559 6.259 1.00 62.05 H new ATOM 1959 N VAL A 121 -8.698 20.118 4.824 1.00 51.32 N ATOM 1960 CA VAL A 121 -9.525 19.366 3.880 1.00 70.22 C ATOM 1961 C VAL A 121 -10.658 20.241 3.355 1.00 31.20 C ATOM 1962 O VAL A 121 -11.347 20.908 4.126 1.00 54.13 O ATOM 1963 CB VAL A 121 -10.109 18.132 4.571 1.00 45.22 C ATOM 1964 CG1 VAL A 121 -10.645 17.159 3.517 1.00 2.32 C ATOM 1965 CG2 VAL A 121 -9.017 17.443 5.393 1.00 14.34 C ATOM 0 H VAL A 121 -9.192 20.429 5.660 1.00 51.32 H new ATOM 0 HA VAL A 121 -8.902 19.053 3.042 1.00 70.22 H new ATOM 0 HB VAL A 121 -10.923 18.437 5.229 1.00 45.22 H new ATOM 0 HG11 VAL A 121 -11.061 16.281 4.011 1.00 2.32 H new ATOM 0 HG12 VAL A 121 -11.423 17.649 2.932 1.00 2.32 H new ATOM 0 HG13 VAL A 121 -9.833 16.854 2.857 1.00 2.32 H new ATOM 0 HG21 VAL A 121 -9.432 16.564 5.886 1.00 14.34 H new ATOM 0 HG22 VAL A 121 -8.203 17.139 4.735 1.00 14.34 H new ATOM 0 HG23 VAL A 121 -8.637 18.134 6.145 1.00 14.34 H new ATOM 1975 N SER A 122 -10.849 20.234 2.038 1.00 1.10 N ATOM 1976 CA SER A 122 -11.906 21.032 1.423 1.00 43.21 C ATOM 1977 C SER A 122 -13.226 20.251 1.408 1.00 54.54 C ATOM 1978 O SER A 122 -13.249 19.086 1.009 1.00 31.13 O ATOM 1979 CB SER A 122 -11.515 21.391 -0.011 1.00 63.12 C ATOM 1980 OG SER A 122 -12.534 22.196 -0.588 1.00 31.32 O ATOM 0 H SER A 122 -10.291 19.689 1.381 1.00 1.10 H new ATOM 0 HA SER A 122 -12.038 21.943 2.007 1.00 43.21 H new ATOM 0 HB2 SER A 122 -10.565 21.926 -0.018 1.00 63.12 H new ATOM 0 HB3 SER A 122 -11.375 20.484 -0.600 1.00 63.12 H new ATOM 0 HG SER A 122 -12.286 22.429 -1.507 1.00 31.32 H new ATOM 1986 N PRO A 123 -14.322 20.851 1.824 1.00 44.52 N ATOM 1987 CA PRO A 123 -15.646 20.164 1.838 1.00 42.35 C ATOM 1988 C PRO A 123 -15.861 19.299 0.596 1.00 51.43 C ATOM 1989 O PRO A 123 -16.463 18.227 0.673 1.00 53.20 O ATOM 1990 CB PRO A 123 -16.643 21.323 1.879 1.00 40.41 C ATOM 1991 CG PRO A 123 -15.931 22.420 2.605 1.00 11.25 C ATOM 1992 CD PRO A 123 -14.431 22.236 2.327 1.00 24.14 C ATOM 0 HA PRO A 123 -15.746 19.475 2.677 1.00 42.35 H new ATOM 0 HB2 PRO A 123 -16.928 21.635 0.874 1.00 40.41 H new ATOM 0 HB3 PRO A 123 -17.559 21.037 2.396 1.00 40.41 H new ATOM 0 HG2 PRO A 123 -16.271 23.396 2.260 1.00 11.25 H new ATOM 0 HG3 PRO A 123 -16.135 22.371 3.675 1.00 11.25 H new ATOM 0 HD2 PRO A 123 -14.071 22.956 1.592 1.00 24.14 H new ATOM 0 HD3 PRO A 123 -13.838 22.379 3.230 1.00 24.14 H new ATOM 2000 N ALA A 124 -15.368 19.773 -0.543 1.00 11.33 N ATOM 2001 CA ALA A 124 -15.513 19.036 -1.794 1.00 55.41 C ATOM 2002 C ALA A 124 -14.568 17.840 -1.827 1.00 44.30 C ATOM 2003 O ALA A 124 -14.890 16.797 -2.397 1.00 71.20 O ATOM 2004 CB ALA A 124 -15.215 19.957 -2.978 1.00 72.33 C ATOM 0 H ALA A 124 -14.868 20.658 -0.627 1.00 11.33 H new ATOM 0 HA ALA A 124 -16.539 18.674 -1.863 1.00 55.41 H new ATOM 0 HB1 ALA A 124 -15.325 19.400 -3.909 1.00 72.33 H new ATOM 0 HB2 ALA A 124 -15.912 20.795 -2.972 1.00 72.33 H new ATOM 0 HB3 ALA A 124 -14.195 20.333 -2.899 1.00 72.33 H new ATOM 2010 N ALA A 125 -13.400 17.999 -1.212 1.00 1.14 N ATOM 2011 CA ALA A 125 -12.414 16.925 -1.178 1.00 25.50 C ATOM 2012 C ALA A 125 -12.918 15.757 -0.337 1.00 15.54 C ATOM 2013 O ALA A 125 -12.792 14.599 -0.727 1.00 3.41 O ATOM 2014 CB ALA A 125 -11.101 17.444 -0.591 1.00 34.13 C ATOM 0 H ALA A 125 -13.115 18.854 -0.734 1.00 1.14 H new ATOM 0 HA ALA A 125 -12.249 16.578 -2.198 1.00 25.50 H new ATOM 0 HB1 ALA A 125 -10.369 16.637 -0.568 1.00 34.13 H new ATOM 0 HB2 ALA A 125 -10.724 18.259 -1.208 1.00 34.13 H new ATOM 0 HB3 ALA A 125 -11.274 17.806 0.423 1.00 34.13 H new ATOM 2020 N THR A 126 -13.496 16.075 0.815 1.00 71.53 N ATOM 2021 CA THR A 126 -14.027 15.048 1.706 1.00 45.41 C ATOM 2022 C THR A 126 -15.310 14.448 1.129 1.00 61.13 C ATOM 2023 O THR A 126 -15.618 13.281 1.362 1.00 32.34 O ATOM 2024 CB THR A 126 -14.292 15.641 3.104 1.00 22.40 C ATOM 2025 OG1 THR A 126 -13.420 16.743 3.316 1.00 13.42 O ATOM 2026 CG2 THR A 126 -14.042 14.580 4.190 1.00 4.31 C ATOM 0 H THR A 126 -13.609 17.030 1.154 1.00 71.53 H new ATOM 0 HA THR A 126 -13.288 14.253 1.798 1.00 45.41 H new ATOM 0 HB THR A 126 -15.330 15.968 3.161 1.00 22.40 H new ATOM 0 HG1 THR A 126 -13.585 17.125 4.203 1.00 13.42 H new ATOM 0 HG21 THR A 126 -14.233 15.013 5.172 1.00 4.31 H new ATOM 0 HG22 THR A 126 -14.709 13.732 4.031 1.00 4.31 H new ATOM 0 HG23 THR A 126 -13.007 14.242 4.137 1.00 4.31 H new ATOM 2034 N ALA A 127 -16.075 15.265 0.410 1.00 15.42 N ATOM 2035 CA ALA A 127 -17.344 14.822 -0.164 1.00 52.14 C ATOM 2036 C ALA A 127 -17.176 13.948 -1.408 1.00 32.11 C ATOM 2037 O ALA A 127 -17.771 12.873 -1.492 1.00 52.32 O ATOM 2038 CB ALA A 127 -18.159 16.044 -0.540 1.00 34.42 C ATOM 0 H ALA A 127 -15.839 16.237 0.211 1.00 15.42 H new ATOM 0 HA ALA A 127 -17.842 14.214 0.592 1.00 52.14 H new ATOM 0 HB1 ALA A 127 -19.110 15.729 -0.970 1.00 34.42 H new ATOM 0 HB2 ALA A 127 -18.345 16.645 0.350 1.00 34.42 H new ATOM 0 HB3 ALA A 127 -17.609 16.637 -1.271 1.00 34.42 H new ATOM 2044 N ILE A 128 -16.361 14.390 -2.364 1.00 12.23 N ATOM 2045 CA ILE A 128 -16.145 13.598 -3.562 1.00 11.33 C ATOM 2046 C ILE A 128 -15.595 12.255 -3.121 1.00 64.23 C ATOM 2047 O ILE A 128 -15.938 11.196 -3.647 1.00 44.43 O ATOM 2048 CB ILE A 128 -15.169 14.342 -4.495 1.00 23.41 C ATOM 2049 CG1 ILE A 128 -15.474 13.993 -5.951 1.00 32.13 C ATOM 2050 CG2 ILE A 128 -13.707 13.984 -4.183 1.00 22.34 C ATOM 2051 CD1 ILE A 128 -15.447 12.474 -6.149 1.00 71.02 C ATOM 0 H ILE A 128 -15.852 15.273 -2.331 1.00 12.23 H new ATOM 0 HA ILE A 128 -17.069 13.443 -4.119 1.00 11.33 H new ATOM 0 HB ILE A 128 -15.303 15.411 -4.331 1.00 23.41 H new ATOM 0 HG12 ILE A 128 -16.452 14.386 -6.229 1.00 32.13 H new ATOM 0 HG13 ILE A 128 -14.742 14.465 -6.607 1.00 32.13 H new ATOM 0 HG21 ILE A 128 -13.047 14.527 -4.860 1.00 22.34 H new ATOM 0 HG22 ILE A 128 -13.477 14.259 -3.154 1.00 22.34 H new ATOM 0 HG23 ILE A 128 -13.559 12.912 -4.314 1.00 22.34 H new ATOM 0 HD11 ILE A 128 -15.666 12.239 -7.191 1.00 71.02 H new ATOM 0 HD12 ILE A 128 -14.460 12.091 -5.890 1.00 71.02 H new ATOM 0 HD13 ILE A 128 -16.196 12.010 -5.507 1.00 71.02 H new ATOM 2063 N PHE A 129 -14.750 12.352 -2.118 1.00 20.10 N ATOM 2064 CA PHE A 129 -14.120 11.200 -1.515 1.00 64.04 C ATOM 2065 C PHE A 129 -15.179 10.221 -1.017 1.00 52.22 C ATOM 2066 O PHE A 129 -15.075 9.013 -1.230 1.00 14.21 O ATOM 2067 CB PHE A 129 -13.264 11.685 -0.355 1.00 23.32 C ATOM 2068 CG PHE A 129 -12.659 10.512 0.385 1.00 23.21 C ATOM 2069 CD1 PHE A 129 -11.873 9.572 -0.297 1.00 24.04 C ATOM 2070 CD2 PHE A 129 -12.881 10.367 1.761 1.00 54.41 C ATOM 2071 CE1 PHE A 129 -11.314 8.493 0.397 1.00 43.23 C ATOM 2072 CE2 PHE A 129 -12.320 9.289 2.451 1.00 21.44 C ATOM 2073 CZ PHE A 129 -11.536 8.351 1.770 1.00 24.12 C ATOM 0 H PHE A 129 -14.479 13.240 -1.695 1.00 20.10 H new ATOM 0 HA PHE A 129 -13.501 10.682 -2.248 1.00 64.04 H new ATOM 0 HB2 PHE A 129 -12.472 12.335 -0.727 1.00 23.32 H new ATOM 0 HB3 PHE A 129 -13.870 12.280 0.328 1.00 23.32 H new ATOM 0 HD1 PHE A 129 -11.699 9.681 -1.357 1.00 24.04 H new ATOM 0 HD2 PHE A 129 -13.486 11.089 2.289 1.00 54.41 H new ATOM 0 HE1 PHE A 129 -10.710 7.769 -0.129 1.00 43.23 H new ATOM 0 HE2 PHE A 129 -12.492 9.180 3.512 1.00 21.44 H new ATOM 0 HZ PHE A 129 -11.103 7.518 2.304 1.00 24.12 H new ATOM 2083 N ARG A 130 -16.199 10.758 -0.355 1.00 63.11 N ATOM 2084 CA ARG A 130 -17.281 9.935 0.173 1.00 64.23 C ATOM 2085 C ARG A 130 -18.147 9.374 -0.955 1.00 1.41 C ATOM 2086 O ARG A 130 -18.594 8.230 -0.889 1.00 30.33 O ATOM 2087 CB ARG A 130 -18.151 10.765 1.123 1.00 42.52 C ATOM 2088 CG ARG A 130 -17.423 10.953 2.456 1.00 72.41 C ATOM 2089 CD ARG A 130 -18.145 12.015 3.288 1.00 4.30 C ATOM 2090 NE ARG A 130 -17.463 12.204 4.563 1.00 72.10 N ATOM 2091 CZ ARG A 130 -18.040 12.871 5.558 1.00 72.25 C ATOM 2092 NH1 ARG A 130 -19.236 13.368 5.403 1.00 33.33 N ATOM 2093 NH2 ARG A 130 -17.410 13.028 6.690 1.00 55.14 N ATOM 0 H ARG A 130 -16.299 11.756 -0.172 1.00 63.11 H new ATOM 0 HA ARG A 130 -16.838 9.100 0.715 1.00 64.23 H new ATOM 0 HB2 ARG A 130 -18.370 11.735 0.677 1.00 42.52 H new ATOM 0 HB3 ARG A 130 -19.106 10.266 1.286 1.00 42.52 H new ATOM 0 HG2 ARG A 130 -17.391 10.009 3.001 1.00 72.41 H new ATOM 0 HG3 ARG A 130 -16.391 11.255 2.279 1.00 72.41 H new ATOM 0 HD2 ARG A 130 -18.176 12.957 2.741 1.00 4.30 H new ATOM 0 HD3 ARG A 130 -19.178 11.712 3.461 1.00 4.30 H new ATOM 0 HE ARG A 130 -16.528 11.818 4.694 1.00 72.10 H new ATOM 0 HH11 ARG A 130 -19.729 13.245 4.518 1.00 33.33 H new ATOM 0 HH12 ARG A 130 -19.679 13.880 6.166 1.00 33.33 H new ATOM 0 HH21 ARG A 130 -16.475 12.639 6.811 1.00 55.14 H new ATOM 0 HH22 ARG A 130 -17.853 13.540 7.453 1.00 55.14 H new ATOM 2107 N LYS A 131 -18.397 10.187 -1.980 1.00 20.25 N ATOM 2108 CA LYS A 131 -19.231 9.751 -3.097 1.00 5.14 C ATOM 2109 C LYS A 131 -18.757 8.407 -3.636 1.00 2.24 C ATOM 2110 O LYS A 131 -19.509 7.432 -3.637 1.00 44.11 O ATOM 2111 CB LYS A 131 -19.186 10.795 -4.216 1.00 25.44 C ATOM 2112 CG LYS A 131 -20.236 10.455 -5.276 1.00 21.23 C ATOM 2113 CD LYS A 131 -20.118 11.436 -6.444 1.00 20.44 C ATOM 2114 CE LYS A 131 -21.286 11.225 -7.408 1.00 61.22 C ATOM 2115 NZ LYS A 131 -22.533 11.779 -6.807 1.00 32.24 N ATOM 0 H LYS A 131 -18.039 11.139 -2.060 1.00 20.25 H new ATOM 0 HA LYS A 131 -20.254 9.641 -2.738 1.00 5.14 H new ATOM 0 HB2 LYS A 131 -19.374 11.788 -3.808 1.00 25.44 H new ATOM 0 HB3 LYS A 131 -18.194 10.818 -4.666 1.00 25.44 H new ATOM 0 HG2 LYS A 131 -20.094 9.434 -5.629 1.00 21.23 H new ATOM 0 HG3 LYS A 131 -21.235 10.507 -4.843 1.00 21.23 H new ATOM 0 HD2 LYS A 131 -20.119 12.461 -6.073 1.00 20.44 H new ATOM 0 HD3 LYS A 131 -19.172 11.286 -6.964 1.00 20.44 H new ATOM 0 HE2 LYS A 131 -21.079 11.715 -8.359 1.00 61.22 H new ATOM 0 HE3 LYS A 131 -21.411 10.163 -7.617 1.00 61.22 H new ATOM 0 HZ1 LYS A 131 -23.246 11.917 -7.552 1.00 32.24 H new ATOM 0 HZ2 LYS A 131 -22.900 11.115 -6.096 1.00 32.24 H new ATOM 0 HZ3 LYS A 131 -22.324 12.692 -6.354 1.00 32.24 H new ATOM 2129 N LEU A 132 -17.507 8.353 -4.083 1.00 54.13 N ATOM 2130 CA LEU A 132 -16.961 7.109 -4.607 1.00 11.42 C ATOM 2131 C LEU A 132 -17.008 6.037 -3.525 1.00 42.24 C ATOM 2132 O LEU A 132 -17.429 4.901 -3.764 1.00 74.41 O ATOM 2133 CB LEU A 132 -15.515 7.317 -5.064 1.00 63.54 C ATOM 2134 CG LEU A 132 -15.413 8.609 -5.880 1.00 70.23 C ATOM 2135 CD1 LEU A 132 -14.013 8.718 -6.487 1.00 55.02 C ATOM 2136 CD2 LEU A 132 -16.456 8.591 -7.003 1.00 71.22 C ATOM 0 H LEU A 132 -16.862 9.143 -4.093 1.00 54.13 H new ATOM 0 HA LEU A 132 -17.558 6.791 -5.462 1.00 11.42 H new ATOM 0 HB2 LEU A 132 -14.854 7.369 -4.199 1.00 63.54 H new ATOM 0 HB3 LEU A 132 -15.188 6.469 -5.665 1.00 63.54 H new ATOM 0 HG LEU A 132 -15.596 9.464 -5.229 1.00 70.23 H new ATOM 0 HD11 LEU A 132 -13.939 9.637 -7.068 1.00 55.02 H new ATOM 0 HD12 LEU A 132 -13.271 8.732 -5.689 1.00 55.02 H new ATOM 0 HD13 LEU A 132 -13.831 7.862 -7.137 1.00 55.02 H new ATOM 0 HD21 LEU A 132 -16.382 9.511 -7.583 1.00 71.22 H new ATOM 0 HD22 LEU A 132 -16.275 7.736 -7.654 1.00 71.22 H new ATOM 0 HD23 LEU A 132 -17.454 8.513 -6.572 1.00 71.22 H new ATOM 2148 N ALA A 133 -16.585 6.415 -2.326 1.00 43.34 N ATOM 2149 CA ALA A 133 -16.592 5.487 -1.210 1.00 74.12 C ATOM 2150 C ALA A 133 -17.985 4.891 -1.045 1.00 44.24 C ATOM 2151 O ALA A 133 -18.129 3.730 -0.660 1.00 4.35 O ATOM 2152 CB ALA A 133 -16.171 6.201 0.073 1.00 75.44 C ATOM 0 H ALA A 133 -16.237 7.348 -2.105 1.00 43.34 H new ATOM 0 HA ALA A 133 -15.882 4.685 -1.411 1.00 74.12 H new ATOM 0 HB1 ALA A 133 -16.180 5.494 0.903 1.00 75.44 H new ATOM 0 HB2 ALA A 133 -15.166 6.605 -0.048 1.00 75.44 H new ATOM 0 HB3 ALA A 133 -16.866 7.014 0.282 1.00 75.44 H new ATOM 2158 N GLY A 134 -19.013 5.683 -1.357 1.00 22.24 N ATOM 2159 CA GLY A 134 -20.385 5.204 -1.257 1.00 3.24 C ATOM 2160 C GLY A 134 -20.626 4.118 -2.288 1.00 43.14 C ATOM 2161 O GLY A 134 -21.286 3.115 -2.014 1.00 43.50 O ATOM 0 H GLY A 134 -18.920 6.647 -1.677 1.00 22.24 H new ATOM 0 HA2 GLY A 134 -20.572 4.816 -0.256 1.00 3.24 H new ATOM 0 HA3 GLY A 134 -21.080 6.029 -1.414 1.00 3.24 H new ATOM 2165 N GLU A 135 -20.070 4.322 -3.476 1.00 22.13 N ATOM 2166 CA GLU A 135 -20.211 3.351 -4.545 1.00 13.44 C ATOM 2167 C GLU A 135 -19.572 2.035 -4.128 1.00 74.23 C ATOM 2168 O GLU A 135 -19.834 0.990 -4.723 1.00 52.13 O ATOM 2169 CB GLU A 135 -19.542 3.868 -5.821 1.00 74.13 C ATOM 2170 CG GLU A 135 -20.139 5.226 -6.197 1.00 62.43 C ATOM 2171 CD GLU A 135 -19.508 5.733 -7.489 1.00 15.20 C ATOM 2172 OE1 GLU A 135 -18.753 4.986 -8.090 1.00 23.12 O ATOM 2173 OE2 GLU A 135 -19.787 6.862 -7.858 1.00 34.54 O ATOM 0 H GLU A 135 -19.521 5.147 -3.719 1.00 22.13 H new ATOM 0 HA GLU A 135 -21.271 3.193 -4.742 1.00 13.44 H new ATOM 0 HB2 GLU A 135 -18.467 3.961 -5.668 1.00 74.13 H new ATOM 0 HB3 GLU A 135 -19.688 3.157 -6.634 1.00 74.13 H new ATOM 0 HG2 GLU A 135 -21.218 5.136 -6.320 1.00 62.43 H new ATOM 0 HG3 GLU A 135 -19.968 5.943 -5.394 1.00 62.43 H new ATOM 2180 N ARG A 136 -18.734 2.089 -3.089 1.00 64.24 N ATOM 2181 CA ARG A 136 -18.066 0.889 -2.586 1.00 71.45 C ATOM 2182 C ARG A 136 -18.740 0.397 -1.299 1.00 72.55 C ATOM 2183 O ARG A 136 -18.195 -0.448 -0.591 1.00 43.12 O ATOM 2184 CB ARG A 136 -16.587 1.196 -2.313 1.00 61.14 C ATOM 2185 CG ARG A 136 -15.771 -0.101 -2.338 1.00 23.23 C ATOM 2186 CD ARG A 136 -14.289 0.222 -2.145 1.00 22.12 C ATOM 2187 NE ARG A 136 -13.484 -0.981 -2.315 1.00 75.22 N ATOM 2188 CZ ARG A 136 -13.326 -1.538 -3.512 1.00 31.41 C ATOM 2189 NH1 ARG A 136 -13.892 -1.004 -4.560 1.00 61.52 N ATOM 2190 NH2 ARG A 136 -12.606 -2.619 -3.639 1.00 33.01 N ATOM 0 H ARG A 136 -18.504 2.945 -2.584 1.00 64.24 H new ATOM 0 HA ARG A 136 -18.141 0.105 -3.340 1.00 71.45 H new ATOM 0 HB2 ARG A 136 -16.206 1.890 -3.063 1.00 61.14 H new ATOM 0 HB3 ARG A 136 -16.481 1.684 -1.344 1.00 61.14 H new ATOM 0 HG2 ARG A 136 -16.113 -0.773 -1.551 1.00 23.23 H new ATOM 0 HG3 ARG A 136 -15.920 -0.618 -3.286 1.00 23.23 H new ATOM 0 HD2 ARG A 136 -13.978 0.980 -2.864 1.00 22.12 H new ATOM 0 HD3 ARG A 136 -14.127 0.639 -1.151 1.00 22.12 H new ATOM 0 HE ARG A 136 -13.034 -1.403 -1.502 1.00 75.22 H new ATOM 0 HH11 ARG A 136 -14.455 -0.160 -4.461 1.00 61.52 H new ATOM 0 HH12 ARG A 136 -13.771 -1.431 -5.478 1.00 61.52 H new ATOM 0 HH21 ARG A 136 -12.164 -3.037 -2.820 1.00 33.01 H new ATOM 0 HH22 ARG A 136 -12.485 -3.046 -4.557 1.00 33.01 H new ATOM 2204 N ASN A 137 -19.931 0.924 -1.013 1.00 3.34 N ATOM 2205 CA ASN A 137 -20.675 0.519 0.181 1.00 50.42 C ATOM 2206 C ASN A 137 -19.841 0.697 1.445 1.00 33.51 C ATOM 2207 O ASN A 137 -19.898 -0.120 2.363 1.00 21.54 O ATOM 2208 CB ASN A 137 -21.050 -0.941 0.055 1.00 13.44 C ATOM 2209 CG ASN A 137 -21.812 -1.180 -1.244 1.00 21.32 C ATOM 2210 OD1 ASN A 137 -21.642 -2.219 -1.881 1.00 50.41 O ATOM 2211 ND2 ASN A 137 -22.648 -0.275 -1.676 1.00 61.02 N ATOM 0 H ASN A 137 -20.398 1.626 -1.586 1.00 3.34 H new ATOM 0 HA ASN A 137 -21.562 1.147 0.258 1.00 50.42 H new ATOM 0 HB2 ASN A 137 -20.151 -1.558 0.077 1.00 13.44 H new ATOM 0 HB3 ASN A 137 -21.663 -1.241 0.905 1.00 13.44 H new ATOM 0 HD21 ASN A 137 -23.162 -0.428 -2.543 1.00 61.02 H new ATOM 0 HD22 ASN A 137 -22.787 0.585 -1.146 1.00 61.02 H new ATOM 2218 N TYR A 138 -19.077 1.767 1.478 1.00 34.52 N ATOM 2219 CA TYR A 138 -18.224 2.068 2.626 1.00 71.23 C ATOM 2220 C TYR A 138 -19.048 2.494 3.849 1.00 31.11 C ATOM 2221 O TYR A 138 -20.133 3.058 3.719 1.00 63.53 O ATOM 2222 CB TYR A 138 -17.235 3.186 2.253 1.00 5.32 C ATOM 2223 CG TYR A 138 -17.891 4.551 2.382 1.00 21.44 C ATOM 2224 CD1 TYR A 138 -19.227 4.739 2.002 1.00 43.42 C ATOM 2225 CD2 TYR A 138 -17.154 5.629 2.884 1.00 41.32 C ATOM 2226 CE1 TYR A 138 -19.822 5.999 2.126 1.00 54.40 C ATOM 2227 CE2 TYR A 138 -17.751 6.892 3.007 1.00 45.41 C ATOM 2228 CZ TYR A 138 -19.084 7.076 2.628 1.00 62.20 C ATOM 2229 OH TYR A 138 -19.671 8.318 2.749 1.00 40.12 O ATOM 0 H TYR A 138 -19.023 2.451 0.723 1.00 34.52 H new ATOM 0 HA TYR A 138 -17.681 1.160 2.889 1.00 71.23 H new ATOM 0 HB2 TYR A 138 -16.360 3.135 2.901 1.00 5.32 H new ATOM 0 HB3 TYR A 138 -16.884 3.041 1.231 1.00 5.32 H new ATOM 0 HD1 TYR A 138 -19.798 3.909 1.613 1.00 43.42 H new ATOM 0 HD2 TYR A 138 -16.124 5.488 3.177 1.00 41.32 H new ATOM 0 HE1 TYR A 138 -20.852 6.140 1.834 1.00 54.40 H new ATOM 0 HE2 TYR A 138 -17.181 7.723 3.395 1.00 45.41 H new ATOM 0 HH TYR A 138 -19.263 8.801 3.498 1.00 40.12 H new ATOM 2239 N THR A 139 -18.507 2.236 5.038 1.00 11.21 N ATOM 2240 CA THR A 139 -19.173 2.617 6.286 1.00 3.42 C ATOM 2241 C THR A 139 -18.252 3.526 7.099 1.00 30.54 C ATOM 2242 O THR A 139 -17.035 3.483 6.937 1.00 72.01 O ATOM 2243 CB THR A 139 -19.512 1.366 7.105 1.00 42.45 C ATOM 2244 OG1 THR A 139 -18.415 1.047 7.951 1.00 64.53 O ATOM 2245 CG2 THR A 139 -19.788 0.192 6.164 1.00 10.25 C ATOM 0 H THR A 139 -17.611 1.766 5.166 1.00 11.21 H new ATOM 0 HA THR A 139 -20.095 3.148 6.050 1.00 3.42 H new ATOM 0 HB THR A 139 -20.398 1.558 7.710 1.00 42.45 H new ATOM 0 HG1 THR A 139 -18.629 0.249 8.477 1.00 64.53 H new ATOM 0 HG21 THR A 139 -20.028 -0.695 6.750 1.00 10.25 H new ATOM 0 HG22 THR A 139 -20.628 0.436 5.514 1.00 10.25 H new ATOM 0 HG23 THR A 139 -18.904 -0.003 5.557 1.00 10.25 H new ATOM 2253 N ASP A 140 -18.822 4.385 7.936 1.00 64.41 N ATOM 2254 CA ASP A 140 -17.995 5.314 8.701 1.00 12.20 C ATOM 2255 C ASP A 140 -16.762 4.614 9.275 1.00 73.25 C ATOM 2256 O ASP A 140 -15.638 5.065 9.061 1.00 10.33 O ATOM 2257 CB ASP A 140 -18.815 5.919 9.842 1.00 22.52 C ATOM 2258 CG ASP A 140 -19.319 4.814 10.763 1.00 50.22 C ATOM 2259 OD1 ASP A 140 -19.488 3.704 10.288 1.00 54.33 O ATOM 2260 OD2 ASP A 140 -19.530 5.094 11.933 1.00 73.21 O ATOM 0 H ASP A 140 -19.826 4.459 8.101 1.00 64.41 H new ATOM 0 HA ASP A 140 -17.660 6.102 8.027 1.00 12.20 H new ATOM 0 HB2 ASP A 140 -18.204 6.624 10.406 1.00 22.52 H new ATOM 0 HB3 ASP A 140 -19.658 6.480 9.438 1.00 22.52 H new ATOM 2265 N GLU A 141 -16.964 3.526 10.012 1.00 54.32 N ATOM 2266 CA GLU A 141 -15.842 2.806 10.613 1.00 62.02 C ATOM 2267 C GLU A 141 -14.852 2.312 9.556 1.00 43.11 C ATOM 2268 O GLU A 141 -13.683 2.073 9.859 1.00 42.22 O ATOM 2269 CB GLU A 141 -16.363 1.612 11.414 1.00 42.10 C ATOM 2270 CG GLU A 141 -17.270 2.109 12.540 1.00 63.25 C ATOM 2271 CD GLU A 141 -17.788 0.928 13.353 1.00 35.14 C ATOM 2272 OE1 GLU A 141 -17.606 -0.195 12.912 1.00 12.21 O ATOM 2273 OE2 GLU A 141 -18.359 1.163 14.406 1.00 62.23 O ATOM 0 H GLU A 141 -17.882 3.126 10.207 1.00 54.32 H new ATOM 0 HA GLU A 141 -15.318 3.501 11.270 1.00 62.02 H new ATOM 0 HB2 GLU A 141 -16.914 0.935 10.761 1.00 42.10 H new ATOM 0 HB3 GLU A 141 -15.528 1.046 11.828 1.00 42.10 H new ATOM 0 HG2 GLU A 141 -16.719 2.792 13.187 1.00 63.25 H new ATOM 0 HG3 GLU A 141 -18.107 2.669 12.123 1.00 63.25 H new ATOM 2280 N MET A 142 -15.321 2.157 8.323 1.00 13.13 N ATOM 2281 CA MET A 142 -14.457 1.686 7.244 1.00 2.03 C ATOM 2282 C MET A 142 -13.579 2.815 6.719 1.00 44.23 C ATOM 2283 O MET A 142 -12.534 2.573 6.119 1.00 11.51 O ATOM 2284 CB MET A 142 -15.312 1.126 6.099 1.00 63.42 C ATOM 2285 CG MET A 142 -14.429 0.826 4.878 1.00 20.11 C ATOM 2286 SD MET A 142 -15.088 -0.608 3.989 1.00 32.02 S ATOM 2287 CE MET A 142 -14.800 -1.841 5.283 1.00 54.35 C ATOM 0 H MET A 142 -16.284 2.348 8.046 1.00 13.13 H new ATOM 0 HA MET A 142 -13.813 0.900 7.640 1.00 2.03 H new ATOM 0 HB2 MET A 142 -15.818 0.217 6.424 1.00 63.42 H new ATOM 0 HB3 MET A 142 -16.087 1.843 5.829 1.00 63.42 H new ATOM 0 HG2 MET A 142 -14.397 1.693 4.218 1.00 20.11 H new ATOM 0 HG3 MET A 142 -13.405 0.630 5.196 1.00 20.11 H new ATOM 0 HE1 MET A 142 -14.381 -2.744 4.839 1.00 54.35 H new ATOM 0 HE2 MET A 142 -14.102 -1.441 6.018 1.00 54.35 H new ATOM 0 HE3 MET A 142 -15.744 -2.082 5.772 1.00 54.35 H new ATOM 2297 N VAL A 143 -14.021 4.046 6.938 1.00 13.55 N ATOM 2298 CA VAL A 143 -13.281 5.223 6.471 1.00 41.44 C ATOM 2299 C VAL A 143 -13.089 6.234 7.600 1.00 52.04 C ATOM 2300 O VAL A 143 -14.050 6.607 8.273 1.00 64.33 O ATOM 2301 CB VAL A 143 -14.064 5.880 5.332 1.00 14.41 C ATOM 2302 CG1 VAL A 143 -15.337 6.523 5.896 1.00 31.43 C ATOM 2303 CG2 VAL A 143 -13.205 6.953 4.659 1.00 31.14 C ATOM 0 H VAL A 143 -14.886 4.261 7.434 1.00 13.55 H new ATOM 0 HA VAL A 143 -12.298 4.904 6.125 1.00 41.44 H new ATOM 0 HB VAL A 143 -14.330 5.122 4.595 1.00 14.41 H new ATOM 0 HG11 VAL A 143 -15.897 6.992 5.087 1.00 31.43 H new ATOM 0 HG12 VAL A 143 -15.953 5.757 6.368 1.00 31.43 H new ATOM 0 HG13 VAL A 143 -15.067 7.277 6.635 1.00 31.43 H new ATOM 0 HG21 VAL A 143 -13.769 7.416 3.849 1.00 31.14 H new ATOM 0 HG22 VAL A 143 -12.932 7.713 5.391 1.00 31.14 H new ATOM 0 HG23 VAL A 143 -12.301 6.496 4.256 1.00 31.14 H new ATOM 2313 N ALA A 144 -11.844 6.668 7.816 1.00 72.15 N ATOM 2314 CA ALA A 144 -11.559 7.631 8.889 1.00 14.32 C ATOM 2315 C ALA A 144 -10.765 8.845 8.390 1.00 35.44 C ATOM 2316 O ALA A 144 -9.688 8.703 7.811 1.00 32.23 O ATOM 2317 CB ALA A 144 -10.774 6.938 10.005 1.00 41.21 C ATOM 0 H ALA A 144 -11.030 6.376 7.275 1.00 72.15 H new ATOM 0 HA ALA A 144 -12.517 7.994 9.262 1.00 14.32 H new ATOM 0 HB1 ALA A 144 -10.563 7.653 10.800 1.00 41.21 H new ATOM 0 HB2 ALA A 144 -11.363 6.113 10.406 1.00 41.21 H new ATOM 0 HB3 ALA A 144 -9.836 6.553 9.605 1.00 41.21 H new ATOM 2323 N MET A 145 -11.312 10.037 8.641 1.00 51.40 N ATOM 2324 CA MET A 145 -10.675 11.290 8.248 1.00 50.21 C ATOM 2325 C MET A 145 -9.652 11.711 9.313 1.00 75.31 C ATOM 2326 O MET A 145 -9.810 11.386 10.490 1.00 70.10 O ATOM 2327 CB MET A 145 -11.740 12.396 8.075 1.00 51.22 C ATOM 2328 CG MET A 145 -13.127 11.785 7.757 1.00 64.22 C ATOM 2329 SD MET A 145 -13.825 12.580 6.290 1.00 24.31 S ATOM 2330 CE MET A 145 -13.012 11.540 5.048 1.00 74.21 C ATOM 0 H MET A 145 -12.204 10.158 9.120 1.00 51.40 H new ATOM 0 HA MET A 145 -10.162 11.143 7.298 1.00 50.21 H new ATOM 0 HB2 MET A 145 -11.801 12.993 8.985 1.00 51.22 H new ATOM 0 HB3 MET A 145 -11.443 13.070 7.272 1.00 51.22 H new ATOM 0 HG2 MET A 145 -13.032 10.712 7.590 1.00 64.22 H new ATOM 0 HG3 MET A 145 -13.796 11.917 8.607 1.00 64.22 H new ATOM 0 HE1 MET A 145 -12.323 12.147 4.460 1.00 74.21 H new ATOM 0 HE2 MET A 145 -12.459 10.743 5.546 1.00 74.21 H new ATOM 0 HE3 MET A 145 -13.764 11.104 4.390 1.00 74.21 H new ATOM 2340 N LEU A 146 -8.614 12.445 8.898 1.00 41.21 N ATOM 2341 CA LEU A 146 -7.583 12.915 9.838 1.00 72.34 C ATOM 2342 C LEU A 146 -7.566 14.454 9.879 1.00 1.24 C ATOM 2343 O LEU A 146 -7.630 15.097 8.832 1.00 73.40 O ATOM 2344 CB LEU A 146 -6.198 12.415 9.408 1.00 10.20 C ATOM 2345 CG LEU A 146 -6.200 10.883 9.241 1.00 21.43 C ATOM 2346 CD1 LEU A 146 -5.059 10.453 8.301 1.00 62.15 C ATOM 2347 CD2 LEU A 146 -6.002 10.208 10.606 1.00 1.24 C ATOM 0 H LEU A 146 -8.463 12.726 7.929 1.00 41.21 H new ATOM 0 HA LEU A 146 -7.820 12.522 10.827 1.00 72.34 H new ATOM 0 HB2 LEU A 146 -5.911 12.888 8.469 1.00 10.20 H new ATOM 0 HB3 LEU A 146 -5.455 12.704 10.151 1.00 10.20 H new ATOM 0 HG LEU A 146 -7.157 10.581 8.816 1.00 21.43 H new ATOM 0 HD11 LEU A 146 -5.069 9.369 8.189 1.00 62.15 H new ATOM 0 HD12 LEU A 146 -5.196 10.920 7.325 1.00 62.15 H new ATOM 0 HD13 LEU A 146 -4.103 10.766 8.722 1.00 62.15 H new ATOM 0 HD21 LEU A 146 -6.005 9.125 10.480 1.00 1.24 H new ATOM 0 HD22 LEU A 146 -5.049 10.522 11.032 1.00 1.24 H new ATOM 0 HD23 LEU A 146 -6.812 10.497 11.276 1.00 1.24 H new ATOM 2359 N PRO A 147 -7.483 15.060 11.049 1.00 61.04 N ATOM 2360 CA PRO A 147 -7.461 16.552 11.184 1.00 71.15 C ATOM 2361 C PRO A 147 -6.082 17.162 10.905 1.00 54.51 C ATOM 2362 O PRO A 147 -5.095 16.447 10.737 1.00 73.42 O ATOM 2363 CB PRO A 147 -7.865 16.767 12.642 1.00 45.23 C ATOM 2364 CG PRO A 147 -7.308 15.581 13.357 1.00 4.21 C ATOM 2365 CD PRO A 147 -7.408 14.407 12.374 1.00 51.13 C ATOM 0 HA PRO A 147 -8.118 17.036 10.462 1.00 71.15 H new ATOM 0 HB2 PRO A 147 -7.455 17.697 13.035 1.00 45.23 H new ATOM 0 HB3 PRO A 147 -8.948 16.825 12.750 1.00 45.23 H new ATOM 0 HG2 PRO A 147 -6.273 15.755 13.653 1.00 4.21 H new ATOM 0 HG3 PRO A 147 -7.870 15.376 14.268 1.00 4.21 H new ATOM 0 HD2 PRO A 147 -6.542 13.749 12.447 1.00 51.13 H new ATOM 0 HD3 PRO A 147 -8.289 13.796 12.569 1.00 51.13 H new ATOM 2373 N ARG A 148 -6.037 18.495 10.851 1.00 0.13 N ATOM 2374 CA ARG A 148 -4.792 19.221 10.586 1.00 14.33 C ATOM 2375 C ARG A 148 -3.722 18.920 11.632 1.00 12.42 C ATOM 2376 O ARG A 148 -2.554 19.259 11.446 1.00 21.44 O ATOM 2377 CB ARG A 148 -5.068 20.726 10.564 1.00 73.03 C ATOM 2378 CG ARG A 148 -5.478 21.195 11.961 1.00 23.30 C ATOM 2379 CD ARG A 148 -6.020 22.624 11.878 1.00 11.41 C ATOM 2380 NE ARG A 148 -6.144 23.196 13.214 1.00 52.11 N ATOM 2381 CZ ARG A 148 -6.288 24.506 13.389 1.00 5.31 C ATOM 2382 NH1 ARG A 148 -6.323 25.302 12.355 1.00 2.34 N ATOM 2383 NH2 ARG A 148 -6.393 24.996 14.593 1.00 32.22 N ATOM 0 H ARG A 148 -6.850 19.095 10.988 1.00 0.13 H new ATOM 0 HA ARG A 148 -4.418 18.890 9.617 1.00 14.33 H new ATOM 0 HB2 ARG A 148 -4.179 21.264 10.236 1.00 73.03 H new ATOM 0 HB3 ARG A 148 -5.859 20.950 9.848 1.00 73.03 H new ATOM 0 HG2 ARG A 148 -6.237 20.530 12.372 1.00 23.30 H new ATOM 0 HG3 ARG A 148 -4.622 21.157 12.635 1.00 23.30 H new ATOM 0 HD2 ARG A 148 -5.354 23.238 11.272 1.00 11.41 H new ATOM 0 HD3 ARG A 148 -6.991 22.624 11.383 1.00 11.41 H new ATOM 0 HE ARG A 148 -6.120 22.581 14.027 1.00 52.11 H new ATOM 0 HH11 ARG A 148 -6.240 24.919 11.413 1.00 2.34 H new ATOM 0 HH12 ARG A 148 -6.433 26.307 12.489 1.00 2.34 H new ATOM 0 HH21 ARG A 148 -6.365 24.374 15.401 1.00 32.22 H new ATOM 0 HH22 ARG A 148 -6.503 26.001 14.727 1.00 32.22 H new ATOM 2397 N GLN A 149 -4.117 18.289 12.732 1.00 62.24 N ATOM 2398 CA GLN A 149 -3.161 17.965 13.788 1.00 72.22 C ATOM 2399 C GLN A 149 -1.913 17.318 13.196 1.00 30.32 C ATOM 2400 O GLN A 149 -1.997 16.314 12.490 1.00 51.33 O ATOM 2401 CB GLN A 149 -3.802 17.020 14.806 1.00 43.22 C ATOM 2402 CG GLN A 149 -5.061 17.670 15.383 1.00 65.22 C ATOM 2403 CD GLN A 149 -4.687 18.913 16.182 1.00 74.22 C ATOM 2404 OE1 GLN A 149 -4.098 18.807 17.258 1.00 70.23 O ATOM 2405 NE2 GLN A 149 -4.993 20.093 15.717 1.00 53.41 N ATOM 0 H GLN A 149 -5.076 17.995 12.916 1.00 62.24 H new ATOM 0 HA GLN A 149 -2.873 18.889 14.290 1.00 72.22 H new ATOM 0 HB2 GLN A 149 -4.055 16.073 14.330 1.00 43.22 H new ATOM 0 HB3 GLN A 149 -3.096 16.797 15.606 1.00 43.22 H new ATOM 0 HG2 GLN A 149 -5.744 17.938 14.577 1.00 65.22 H new ATOM 0 HG3 GLN A 149 -5.586 16.961 16.023 1.00 65.22 H new ATOM 0 HE21 GLN A 149 -5.481 20.179 14.825 1.00 53.41 H new ATOM 0 HE22 GLN A 149 -4.744 20.929 16.245 1.00 53.41 H new ATOM 2414 N GLU A 150 -0.753 17.909 13.477 1.00 42.23 N ATOM 2415 CA GLU A 150 0.514 17.393 12.959 1.00 21.23 C ATOM 2416 C GLU A 150 1.557 17.291 14.068 1.00 62.23 C ATOM 2417 O GLU A 150 1.666 18.174 14.919 1.00 71.24 O ATOM 2418 CB GLU A 150 1.037 18.320 11.860 1.00 71.11 C ATOM 2419 CG GLU A 150 1.302 19.709 12.443 1.00 1.21 C ATOM 2420 CD GLU A 150 1.635 20.690 11.324 1.00 52.05 C ATOM 2421 OE1 GLU A 150 2.784 20.724 10.915 1.00 21.00 O ATOM 2422 OE2 GLU A 150 0.737 21.392 10.891 1.00 55.32 O ATOM 0 H GLU A 150 -0.664 18.742 14.058 1.00 42.23 H new ATOM 0 HA GLU A 150 0.336 16.397 12.554 1.00 21.23 H new ATOM 0 HB2 GLU A 150 1.953 17.913 11.433 1.00 71.11 H new ATOM 0 HB3 GLU A 150 0.310 18.387 11.050 1.00 71.11 H new ATOM 0 HG2 GLU A 150 0.426 20.055 12.992 1.00 1.21 H new ATOM 0 HG3 GLU A 150 2.127 19.663 13.154 1.00 1.21 H new ATOM 2429 N GLU A 151 2.342 16.216 14.029 1.00 74.43 N ATOM 2430 CA GLU A 151 3.407 16.004 15.007 1.00 45.11 C ATOM 2431 C GLU A 151 4.744 16.026 14.282 1.00 63.01 C ATOM 2432 O GLU A 151 5.447 17.037 14.287 1.00 2.22 O ATOM 2433 CB GLU A 151 3.222 14.661 15.717 1.00 75.41 C ATOM 2434 CG GLU A 151 1.816 14.589 16.318 1.00 44.43 C ATOM 2435 CD GLU A 151 1.701 15.558 17.490 1.00 42.42 C ATOM 2436 OE1 GLU A 151 2.731 16.010 17.963 1.00 43.23 O ATOM 2437 OE2 GLU A 151 0.584 15.834 17.898 1.00 72.33 O ATOM 0 H GLU A 151 2.260 15.478 13.330 1.00 74.43 H new ATOM 0 HA GLU A 151 3.375 16.794 15.757 1.00 45.11 H new ATOM 0 HB2 GLU A 151 3.370 13.842 15.013 1.00 75.41 H new ATOM 0 HB3 GLU A 151 3.970 14.546 16.501 1.00 75.41 H new ATOM 0 HG2 GLU A 151 1.074 14.834 15.558 1.00 44.43 H new ATOM 0 HG3 GLU A 151 1.606 13.573 16.653 1.00 44.43 H new ATOM 2444 N CYS A 152 5.089 14.908 13.646 1.00 71.14 N ATOM 2445 CA CYS A 152 6.336 14.809 12.907 1.00 3.32 C ATOM 2446 C CYS A 152 6.098 15.206 11.455 1.00 71.52 C ATOM 2447 O CYS A 152 4.959 15.260 10.992 1.00 54.34 O ATOM 2448 CB CYS A 152 6.873 13.377 12.979 1.00 30.35 C ATOM 2449 SG CYS A 152 8.674 13.400 12.797 1.00 21.52 S ATOM 0 H CYS A 152 4.520 14.062 13.630 1.00 71.14 H new ATOM 0 HA CYS A 152 7.072 15.482 13.347 1.00 3.32 H new ATOM 0 HB2 CYS A 152 6.598 12.921 13.930 1.00 30.35 H new ATOM 0 HB3 CYS A 152 6.425 12.769 12.193 1.00 30.35 H new ATOM 2454 N THR A 153 7.180 15.492 10.749 1.00 33.31 N ATOM 2455 CA THR A 153 7.092 15.897 9.348 1.00 75.00 C ATOM 2456 C THR A 153 8.397 15.581 8.619 1.00 5.21 C ATOM 2457 O THR A 153 9.427 15.349 9.251 1.00 61.12 O ATOM 2458 CB THR A 153 6.784 17.396 9.254 1.00 64.34 C ATOM 2459 OG1 THR A 153 7.727 18.119 10.033 1.00 31.32 O ATOM 2460 CG2 THR A 153 5.367 17.670 9.778 1.00 63.01 C ATOM 0 H THR A 153 8.130 15.452 11.119 1.00 33.31 H new ATOM 0 HA THR A 153 6.285 15.339 8.873 1.00 75.00 H new ATOM 0 HB THR A 153 6.848 17.714 8.213 1.00 64.34 H new ATOM 0 HG1 THR A 153 7.534 19.078 9.974 1.00 31.32 H new ATOM 0 HG21 THR A 153 5.153 18.737 9.709 1.00 63.01 H new ATOM 0 HG22 THR A 153 4.644 17.116 9.179 1.00 63.01 H new ATOM 0 HG23 THR A 153 5.296 17.352 10.818 1.00 63.01 H new ATOM 2468 N VAL A 154 8.353 15.581 7.288 1.00 75.41 N ATOM 2469 CA VAL A 154 9.532 15.302 6.498 1.00 73.31 C ATOM 2470 C VAL A 154 10.528 16.439 6.643 1.00 20.13 C ATOM 2471 O VAL A 154 10.157 17.612 6.658 1.00 73.12 O ATOM 2472 CB VAL A 154 9.150 15.159 5.026 1.00 53.32 C ATOM 2473 CG1 VAL A 154 8.280 13.917 4.824 1.00 60.11 C ATOM 2474 CG2 VAL A 154 8.383 16.405 4.577 1.00 73.12 C ATOM 0 H VAL A 154 7.512 15.771 6.743 1.00 75.41 H new ATOM 0 HA VAL A 154 9.980 14.373 6.851 1.00 73.31 H new ATOM 0 HB VAL A 154 10.057 15.053 4.431 1.00 53.32 H new ATOM 0 HG11 VAL A 154 8.014 13.826 3.771 1.00 60.11 H new ATOM 0 HG12 VAL A 154 8.833 13.031 5.137 1.00 60.11 H new ATOM 0 HG13 VAL A 154 7.372 14.008 5.421 1.00 60.11 H new ATOM 0 HG21 VAL A 154 8.109 16.305 3.527 1.00 73.12 H new ATOM 0 HG22 VAL A 154 7.480 16.513 5.178 1.00 73.12 H new ATOM 0 HG23 VAL A 154 9.012 17.286 4.706 1.00 73.12 H new ATOM 2484 N ASP A 155 11.793 16.080 6.749 1.00 44.51 N ATOM 2485 CA ASP A 155 12.847 17.077 6.891 1.00 60.43 C ATOM 2486 C ASP A 155 13.118 17.755 5.551 1.00 52.41 C ATOM 2487 O ASP A 155 13.234 17.095 4.518 1.00 44.23 O ATOM 2488 CB ASP A 155 14.141 16.429 7.426 1.00 13.14 C ATOM 2489 CG ASP A 155 13.922 14.942 7.697 1.00 73.11 C ATOM 2490 OD1 ASP A 155 13.026 14.626 8.462 1.00 25.24 O ATOM 2491 OD2 ASP A 155 14.654 14.144 7.135 1.00 2.12 O ATOM 0 H ASP A 155 12.119 15.113 6.740 1.00 44.51 H new ATOM 0 HA ASP A 155 12.513 17.828 7.607 1.00 60.43 H new ATOM 0 HB2 ASP A 155 14.946 16.558 6.702 1.00 13.14 H new ATOM 0 HB3 ASP A 155 14.453 16.930 8.342 1.00 13.14 H new ATOM 2496 N GLU A 156 13.219 19.077 5.582 1.00 11.22 N ATOM 2497 CA GLU A 156 13.479 19.848 4.380 1.00 33.33 C ATOM 2498 C GLU A 156 14.866 19.532 3.831 1.00 45.13 C ATOM 2499 O GLU A 156 15.100 19.608 2.624 1.00 43.22 O ATOM 2500 CB GLU A 156 13.382 21.335 4.709 1.00 51.45 C ATOM 2501 CG GLU A 156 11.920 21.708 4.959 1.00 73.13 C ATOM 2502 CD GLU A 156 11.801 23.207 5.213 1.00 34.21 C ATOM 2503 OE1 GLU A 156 12.316 23.967 4.410 1.00 35.50 O ATOM 2504 OE2 GLU A 156 11.198 23.573 6.208 1.00 3.15 O ATOM 0 H GLU A 156 13.124 19.636 6.430 1.00 11.22 H new ATOM 0 HA GLU A 156 12.740 19.587 3.623 1.00 33.33 H new ATOM 0 HB2 GLU A 156 13.982 21.563 5.590 1.00 51.45 H new ATOM 0 HB3 GLU A 156 13.784 21.927 3.887 1.00 51.45 H new ATOM 0 HG2 GLU A 156 11.312 21.427 4.099 1.00 73.13 H new ATOM 0 HG3 GLU A 156 11.536 21.154 5.815 1.00 73.13 H new ATOM 2511 N VAL A 157 15.783 19.179 4.726 1.00 74.02 N ATOM 2512 CA VAL A 157 17.147 18.854 4.327 1.00 31.04 C ATOM 2513 C VAL A 157 17.149 17.974 3.080 1.00 42.05 C ATOM 2514 O VAL A 157 16.460 16.967 3.088 1.00 44.11 O ATOM 2515 CB VAL A 157 17.863 18.127 5.467 1.00 71.14 C ATOM 2516 CG1 VAL A 157 19.352 18.006 5.142 1.00 14.14 C ATOM 2517 CG2 VAL A 157 17.687 18.921 6.764 1.00 0.35 C ATOM 2518 OXT VAL A 157 17.840 18.320 2.136 1.00 44.11 O ATOM 0 H VAL A 157 15.607 19.111 5.728 1.00 74.02 H new ATOM 0 HA VAL A 157 17.670 19.783 4.101 1.00 31.04 H new ATOM 0 HB VAL A 157 17.437 17.131 5.587 1.00 71.14 H new ATOM 0 HG11 VAL A 157 19.861 17.488 5.955 1.00 14.14 H new ATOM 0 HG12 VAL A 157 19.478 17.443 4.217 1.00 14.14 H new ATOM 0 HG13 VAL A 157 19.780 19.001 5.022 1.00 14.14 H new ATOM 0 HG21 VAL A 157 18.196 18.405 7.578 1.00 0.35 H new ATOM 0 HG22 VAL A 157 18.114 19.917 6.642 1.00 0.35 H new ATOM 0 HG23 VAL A 157 16.626 19.007 6.997 1.00 0.35 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.062 3.639 3.588 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.251 1.774 2.644 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.597 2.322 2.740 1.00 20.00 O HETATM 2532 N1 EB4 A 200 0.290 -1.944 5.784 1.00 20.00 N HETATM 2533 C5 EB4 A 200 3.811 1.720 2.835 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.432 0.599 2.586 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.191 -0.255 3.657 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.108 1.185 4.083 1.00 20.00 C HETATM 2537 C6 EB4 A 200 0.446 4.244 4.638 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.732 1.611 1.798 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.604 -0.026 6.416 1.00 20.00 N HETATM 2540 C9 EB4 A 200 -0.250 5.445 4.567 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.947 -1.021 1.641 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.206 2.379 5.789 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.625 2.171 8.245 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -0.826 -1.489 3.719 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.310 0.213 1.580 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.550 3.568 5.849 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.947 0.971 2.011 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.686 0.231 4.577 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.143 1.342 5.028 1.00 20.00 O HETATM 2550 C12 EB4 A 200 -0.811 5.988 5.717 1.00 20.00 C HETATM 2551 C15 EB4 A 200 -0.677 5.331 6.934 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.242 0.436 3.261 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -1.704 -1.873 2.713 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -1.123 -3.502 4.934 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -0.569 -2.406 4.865 1.00 20.00 C HETATM 2556 C22 EB4 A 200 0.647 -2.729 6.975 1.00 20.00 C HETATM 2557 C25 EB4 A 200 0.268 -1.978 8.242 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -0.089 -2.589 9.247 1.00 20.00 O HETATM 2559 O15 EB4 A 200 0.354 -0.622 8.179 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.024 0.098 9.361 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.820 1.357 9.453 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.144 3.420 8.310 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.003 4.120 7.002 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.169 3.979 9.360 1.00 20.00 O HETATM 2565 C27 EB4 A 200 2.287 0.886 9.686 1.00 20.00 C HETATM 2566 O12 EB4 A 200 2.652 0.461 10.781 1.00 20.00 O HETATM 2567 C28 EB4 A 200 2.111 -3.138 6.924 1.00 20.00 C HETATM 2568 O13 EB4 A 200 3.018 -2.027 6.849 1.00 20.00 O HETATM 2569 C26 EB4 A 200 3.757 -1.728 7.953 1.00 20.00 C HETATM 2570 O11 EB4 A 200 3.673 -2.331 9.022 1.00 20.00 O HETATM 2571 C23 EB4 A 200 4.732 -0.559 7.780 1.00 20.00 C HETATM 2572 C29 EB4 A 200 4.440 0.529 8.799 1.00 20.00 C HETATM 2573 O14 EB4 A 200 3.097 0.988 8.599 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.623 0.007 5.545 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.755 -0.399 5.800 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.323 0.543 4.298 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.083 0.354 9.325 1.00 20.00 H new HETATM 0 H29A EB4 A 200 4.562 0.143 9.811 1.00 20.00 H new HETATM 0 H28A EB4 A 200 2.345 -3.728 7.810 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.862 1.776 7.335 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.698 0.336 6.118 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.708 -1.023 5.654 1.00 20.00 H new HETATM 0 H9 EB4 A 200 -0.356 5.960 3.612 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.500 2.028 0.818 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.500 0.881 0.740 1.00 20.00 H new HETATM 0 H30 EB4 A 200 0.124 -0.522 10.245 1.00 20.00 H new HETATM 0 H29 EB4 A 200 5.144 1.354 8.685 1.00 20.00 H new HETATM 0 H28 EB4 A 200 2.269 -3.784 6.060 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.535 2.008 10.279 1.00 20.00 H new HETATM 0 H23 EB4 A 200 5.751 -0.910 7.940 1.00 20.00 H new HETATM 0 H22 EB4 A 200 0.073 -3.655 6.988 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -1.106 5.766 7.837 1.00 20.00 H new HETATM 0 H14 EB4 A 200 7.194 -0.067 3.427 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.202 -2.841 2.764 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -1.357 6.930 5.664 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.669 0.888 1.199 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.635 -1.320 0.851 1.00 20.00 H new HETATM 2598 GA GA A 201 1.562 1.884 4.076 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.142 10.724 -10.638 1.00 20.00 C HETATM 2600 C2 ACD A 300 0.374 10.663 -10.834 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.958 9.483 -10.053 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.652 9.655 -8.564 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.275 8.506 -7.769 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.583 7.970 -6.515 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.741 8.573 -6.043 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.616 9.050 -4.594 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.655 8.052 -3.435 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.821 6.554 -3.697 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.649 5.935 -2.570 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.965 5.517 -1.267 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.543 5.722 -1.103 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.806 5.970 0.384 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.938 7.395 0.928 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.807 8.598 -0.007 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.961 8.620 -1.011 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.712 9.727 -2.037 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.640 9.516 -3.234 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.257 10.462 -4.373 1.00 20.00 C HETATM 2619 O1 ACD A 300 -1.696 11.834 -10.797 1.00 20.00 O HETATM 2620 O2 ACD A 300 -1.717 9.656 -10.334 1.00 20.00 O HETATM 0 H203 ACD A 300 1.230 10.265 -4.680 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.343 11.494 -4.033 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.925 10.302 -5.219 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.674 9.692 -2.937 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.578 8.482 -3.574 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.671 9.713 -2.361 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.893 10.704 -1.588 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.905 8.792 -0.494 1.00 20.00 H new HETATM 0 H171 ACD A 300 2.042 7.655 -1.511 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.144 8.553 -0.537 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.804 9.520 0.574 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.091 4.846 -1.450 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.884 6.568 -1.700 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.313 6.393 -4.656 1.00 20.00 H new HETATM 0 H101 ACD A 300 0.155 6.072 -3.754 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -1.504 8.969 -11.000 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.563 8.413 -2.410 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.498 10.113 -4.385 1.00 20.00 H new HETATM 0 H72 ACD A 300 -1.019 9.408 -6.686 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.536 7.831 -6.122 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.036 7.153 -5.954 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.217 8.067 -8.098 1.00 20.00 H new HETATM 0 H42 ACD A 300 1.045 10.608 -8.211 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.426 9.676 -8.405 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.534 8.547 -10.417 1.00 20.00 H new HETATM 0 H31 ACD A 300 2.035 9.427 -10.210 1.00 20.00 H new HETATM 0 H22 ACD A 300 0.608 10.559 -11.894 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.830 11.594 -10.497 1.00 20.00 H new HETATM 0 H15 ACD A 300 1.127 7.553 1.990 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.900 5.123 1.063 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.549 5.075 -0.459 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.722 5.792 -2.695 1.00 20.00 H new