USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 THR OG1 : rot 180:sc= 0.00509 USER MOD Set 1.2: A 145 MET CE :methyl -164:sc= -0.614 (180deg=-1.58) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 131:sc= -0.0479 (180deg=-0.914) USER MOD Set 2.2: A 76 TYR OH : rot 165:sc= -0.0322 USER MOD Set 3.1: A 33 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00327) USER MOD Set 3.2: A 149 GLN : amide:sc= -0.0898 X(o=-0.09,f=-0.099) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -130:sc= -2.76 (180deg=-5.79!) USER MOD Set 4.2: A 32 MET CE :methyl -115:sc= -3.39! (180deg=-6.38!) USER MOD Set 5.1: A 21 ASN : amide:sc= -6.9! C(o=-12!,f=-14!) USER MOD Set 5.2: A 99 TYR OH : rot 150:sc= 0.601 USER MOD Set 5.3: A 110 HIS : no HD1:sc= -4.35! C(o=-12!,f=-22!) USER MOD Set 5.4: A 142 MET CE :methyl 149:sc= -1.45 (180deg=-3.84!) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 36 MET CE :methyl -144:sc= -0.774 (180deg=-1.56) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 110:sc= -1.13 USER MOD Single : A 22 THR OG1 : rot -84:sc= -0.883! USER MOD Single : A 29 LYS NZ :NH3+ -140:sc= -1.4 (180deg=-2.93!) USER MOD Single : A 34 MET CE :methyl -147:sc= -5.01! (180deg=-9.1!) USER MOD Single : A 40 SER OG : rot -29:sc= 0.409 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= 0.0918 (180deg=0.0206) USER MOD Single : A 50 SER OG : rot 15:sc= 0.796 USER MOD Single : A 51 TYR OH : rot 53:sc= -0.05 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -55:sc= -0.213 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 70 SER OG : rot 5:sc= 0.968 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 93:sc= 0.513 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.208 (180deg=-0.876) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= -0.505 (180deg=-5.81!) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= -3.99! (180deg=-4.15!) USER MOD Single : A 90 THR OG1 : rot -140:sc= 0.34 USER MOD Single : A 92 TYR OH : rot 180:sc= -2.18! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 108:sc= 0.534 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 65:sc= 0.729 USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= -0.0107 (180deg=-0.202) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 164:sc= -2.52 (180deg=-4.73!) USER MOD Single : A 112 MET CE :methyl -134:sc= -1.33 (180deg=-2.27) USER MOD Single : A 115 TYR OH : rot 60:sc= -0.809 USER MOD Single : A 116 SER OG : rot -144:sc= 2.01 USER MOD Single : A 118 SER OG : rot 180:sc= -0.435 USER MOD Single : A 122 SER OG : rot 166:sc= -0.984 USER MOD Single : A 131 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.122) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 150:sc= -2.1 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 130:sc= -0.56 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.819 15.221 -20.023 1.00 0.00 N ATOM 2 CA MET A 1 -0.332 16.451 -20.710 1.00 52.33 C ATOM 3 C MET A 1 -1.348 17.572 -20.521 1.00 51.04 C ATOM 4 O MET A 1 -1.092 18.541 -19.806 1.00 30.31 O ATOM 5 CB MET A 1 -0.145 16.159 -22.200 1.00 13.13 C ATOM 6 CG MET A 1 0.325 17.429 -22.914 1.00 61.45 C ATOM 7 SD MET A 1 0.756 17.033 -24.627 1.00 3.13 S ATOM 8 CE MET A 1 2.475 16.554 -24.323 1.00 53.23 C ATOM 0 H1 MET A 1 -0.127 14.455 -20.151 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.938 15.414 -19.008 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.732 14.934 -20.430 1.00 0.00 H new ATOM 0 HA MET A 1 0.623 16.759 -20.283 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.585 15.361 -22.336 1.00 13.13 H new ATOM 0 HB3 MET A 1 -1.082 15.811 -22.634 1.00 13.13 H new ATOM 0 HG2 MET A 1 -0.461 18.184 -22.891 1.00 61.45 H new ATOM 0 HG3 MET A 1 1.188 17.851 -22.399 1.00 61.45 H new ATOM 0 HE1 MET A 1 2.944 16.265 -25.264 1.00 53.23 H new ATOM 0 HE2 MET A 1 3.016 17.396 -23.891 1.00 53.23 H new ATOM 0 HE3 MET A 1 2.501 15.712 -23.631 1.00 53.23 H new ATOM 20 N THR A 2 -2.502 17.434 -21.167 1.00 3.32 N ATOM 21 CA THR A 2 -3.549 18.445 -21.062 1.00 31.51 C ATOM 22 C THR A 2 -3.876 18.724 -19.599 1.00 71.12 C ATOM 23 O THR A 2 -4.102 19.870 -19.211 1.00 74.10 O ATOM 24 CB THR A 2 -4.809 17.969 -21.788 1.00 64.55 C ATOM 25 OG1 THR A 2 -4.471 17.571 -23.109 1.00 52.22 O ATOM 26 CG2 THR A 2 -5.830 19.107 -21.840 1.00 22.21 C ATOM 0 H THR A 2 -2.735 16.640 -21.763 1.00 3.32 H new ATOM 0 HA THR A 2 -3.190 19.364 -21.525 1.00 31.51 H new ATOM 0 HB THR A 2 -5.240 17.122 -21.253 1.00 64.55 H new ATOM 0 HG1 THR A 2 -5.277 17.264 -23.575 1.00 52.22 H new ATOM 0 HG21 THR A 2 -6.727 18.767 -22.357 1.00 22.21 H new ATOM 0 HG22 THR A 2 -6.089 19.410 -20.826 1.00 22.21 H new ATOM 0 HG23 THR A 2 -5.402 19.955 -22.374 1.00 22.21 H new ATOM 34 N VAL A 3 -3.897 17.669 -18.791 1.00 51.41 N ATOM 35 CA VAL A 3 -4.196 17.813 -17.371 1.00 50.35 C ATOM 36 C VAL A 3 -3.087 18.608 -16.676 1.00 51.14 C ATOM 37 O VAL A 3 -1.935 18.574 -17.107 1.00 15.20 O ATOM 38 CB VAL A 3 -4.319 16.428 -16.727 1.00 31.51 C ATOM 39 CG1 VAL A 3 -5.673 15.813 -17.085 1.00 44.41 C ATOM 40 CG2 VAL A 3 -3.198 15.524 -17.249 1.00 4.21 C ATOM 0 H VAL A 3 -3.712 16.712 -19.092 1.00 51.41 H new ATOM 0 HA VAL A 3 -5.138 18.350 -17.260 1.00 50.35 H new ATOM 0 HB VAL A 3 -4.239 16.524 -15.644 1.00 31.51 H new ATOM 0 HG11 VAL A 3 -5.758 14.828 -16.626 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -6.473 16.455 -16.717 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -5.754 15.717 -18.168 1.00 44.41 H new ATOM 0 HG21 VAL A 3 -3.283 14.538 -16.792 1.00 4.21 H new ATOM 0 HG22 VAL A 3 -3.280 15.431 -18.332 1.00 4.21 H new ATOM 0 HG23 VAL A 3 -2.232 15.959 -16.995 1.00 4.21 H new ATOM 50 N PRO A 4 -3.403 19.318 -15.618 1.00 73.12 N ATOM 51 CA PRO A 4 -2.401 20.122 -14.869 1.00 12.34 C ATOM 52 C PRO A 4 -1.042 19.429 -14.793 1.00 15.51 C ATOM 53 O PRO A 4 -0.964 18.205 -14.696 1.00 74.25 O ATOM 54 CB PRO A 4 -3.033 20.258 -13.484 1.00 35.35 C ATOM 55 CG PRO A 4 -4.511 20.247 -13.729 1.00 23.14 C ATOM 56 CD PRO A 4 -4.745 19.435 -15.014 1.00 53.44 C ATOM 0 HA PRO A 4 -2.192 21.079 -15.347 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.735 19.437 -12.832 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -2.721 21.182 -12.997 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -5.039 19.798 -12.887 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -4.892 21.262 -13.839 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -5.170 18.455 -14.794 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -5.440 19.941 -15.684 1.00 53.44 H new ATOM 64 N ASP A 5 0.024 20.221 -14.839 1.00 12.22 N ATOM 65 CA ASP A 5 1.374 19.673 -14.776 1.00 22.15 C ATOM 66 C ASP A 5 1.528 18.768 -13.558 1.00 22.21 C ATOM 67 O ASP A 5 0.872 18.970 -12.536 1.00 60.12 O ATOM 68 CB ASP A 5 2.396 20.809 -14.702 1.00 34.44 C ATOM 69 CG ASP A 5 2.365 21.623 -15.991 1.00 21.53 C ATOM 70 OD1 ASP A 5 1.775 21.153 -16.950 1.00 32.44 O ATOM 71 OD2 ASP A 5 2.931 22.704 -16.001 1.00 50.33 O ATOM 0 H ASP A 5 -0.019 21.237 -14.919 1.00 12.22 H new ATOM 0 HA ASP A 5 1.550 19.085 -15.677 1.00 22.15 H new ATOM 0 HB2 ASP A 5 2.176 21.453 -13.850 1.00 34.44 H new ATOM 0 HB3 ASP A 5 3.394 20.401 -14.544 1.00 34.44 H new ATOM 76 N ARG A 6 2.399 17.770 -13.673 1.00 61.24 N ATOM 77 CA ARG A 6 2.631 16.841 -12.574 1.00 11.45 C ATOM 78 C ARG A 6 3.537 17.476 -11.525 1.00 51.04 C ATOM 79 O ARG A 6 3.481 17.127 -10.346 1.00 22.12 O ATOM 80 CB ARG A 6 3.270 15.549 -13.103 1.00 11.40 C ATOM 81 CG ARG A 6 4.313 15.883 -14.185 1.00 43.01 C ATOM 82 CD ARG A 6 3.656 15.882 -15.575 1.00 14.15 C ATOM 83 NE ARG A 6 3.690 14.540 -16.145 1.00 25.21 N ATOM 84 CZ ARG A 6 4.787 14.069 -16.729 1.00 74.32 C ATOM 85 NH1 ARG A 6 5.860 14.809 -16.796 1.00 62.45 N ATOM 86 NH2 ARG A 6 4.793 12.865 -17.233 1.00 72.43 N ATOM 0 H ARG A 6 2.952 17.585 -14.510 1.00 61.24 H new ATOM 0 HA ARG A 6 1.673 16.602 -12.112 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.743 15.006 -12.285 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.501 14.896 -13.516 1.00 11.40 H new ATOM 0 HG2 ARG A 6 4.756 16.859 -13.985 1.00 43.01 H new ATOM 0 HG3 ARG A 6 5.123 15.154 -14.157 1.00 43.01 H new ATOM 0 HD2 ARG A 6 2.625 16.227 -15.499 1.00 14.15 H new ATOM 0 HD3 ARG A 6 4.177 16.578 -16.232 1.00 14.15 H new ATOM 0 HE ARG A 6 2.858 13.953 -16.095 1.00 25.21 H new ATOM 0 HH11 ARG A 6 5.857 15.749 -16.400 1.00 62.45 H new ATOM 0 HH12 ARG A 6 6.702 14.447 -17.244 1.00 62.45 H new ATOM 0 HH21 ARG A 6 3.956 12.285 -17.179 1.00 72.43 H new ATOM 0 HH22 ARG A 6 5.635 12.504 -17.681 1.00 72.43 H new ATOM 100 N SER A 7 4.369 18.412 -11.963 1.00 24.50 N ATOM 101 CA SER A 7 5.282 19.096 -11.055 1.00 15.21 C ATOM 102 C SER A 7 4.506 19.772 -9.929 1.00 62.44 C ATOM 103 O SER A 7 5.006 19.911 -8.813 1.00 0.01 O ATOM 104 CB SER A 7 6.091 20.142 -11.820 1.00 52.42 C ATOM 105 OG SER A 7 6.724 19.524 -12.933 1.00 23.24 O ATOM 0 H SER A 7 4.431 18.714 -12.935 1.00 24.50 H new ATOM 0 HA SER A 7 5.959 18.359 -10.624 1.00 15.21 H new ATOM 0 HB2 SER A 7 5.439 20.947 -12.159 1.00 52.42 H new ATOM 0 HB3 SER A 7 6.838 20.591 -11.165 1.00 52.42 H new ATOM 0 HG SER A 7 7.243 20.193 -13.427 1.00 23.24 H new ATOM 111 N GLU A 8 3.288 20.205 -10.236 1.00 55.43 N ATOM 112 CA GLU A 8 2.453 20.884 -9.251 1.00 74.40 C ATOM 113 C GLU A 8 2.185 19.995 -8.038 1.00 61.42 C ATOM 114 O GLU A 8 2.406 20.410 -6.902 1.00 24.35 O ATOM 115 CB GLU A 8 1.123 21.286 -9.890 1.00 43.14 C ATOM 116 CG GLU A 8 0.401 22.285 -8.983 1.00 42.40 C ATOM 117 CD GLU A 8 1.109 23.634 -9.025 1.00 53.01 C ATOM 118 OE1 GLU A 8 1.811 23.883 -9.993 1.00 45.21 O ATOM 119 OE2 GLU A 8 0.942 24.399 -8.090 1.00 42.34 O ATOM 0 H GLU A 8 2.858 20.099 -11.155 1.00 55.43 H new ATOM 0 HA GLU A 8 2.988 21.772 -8.913 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.298 21.729 -10.870 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.501 20.404 -10.045 1.00 43.14 H new ATOM 0 HG2 GLU A 8 -0.634 22.398 -9.305 1.00 42.40 H new ATOM 0 HG3 GLU A 8 0.378 21.909 -7.960 1.00 42.40 H new ATOM 126 N ILE A 9 1.706 18.775 -8.275 1.00 32.20 N ATOM 127 CA ILE A 9 1.417 17.862 -7.171 1.00 44.52 C ATOM 128 C ILE A 9 2.678 17.134 -6.715 1.00 71.22 C ATOM 129 O ILE A 9 2.808 16.781 -5.543 1.00 34.23 O ATOM 130 CB ILE A 9 0.359 16.826 -7.578 1.00 12.34 C ATOM 131 CG1 ILE A 9 -0.084 16.055 -6.315 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.962 15.870 -8.612 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.986 14.858 -6.664 1.00 22.25 C ATOM 0 H ILE A 9 1.513 18.401 -9.204 1.00 32.20 H new ATOM 0 HA ILE A 9 1.034 18.464 -6.347 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.508 17.315 -8.022 1.00 12.34 H new ATOM 0 HG12 ILE A 9 0.796 15.702 -5.777 1.00 51.22 H new ATOM 0 HG13 ILE A 9 -0.618 16.730 -5.646 1.00 51.22 H new ATOM 0 HG21 ILE A 9 0.215 15.132 -8.905 1.00 71.51 H new ATOM 0 HG22 ILE A 9 1.277 16.435 -9.489 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.824 15.362 -8.179 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -1.276 14.342 -5.749 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.879 15.213 -7.179 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -0.443 14.170 -7.312 1.00 22.25 H new ATOM 145 N ALA A 10 3.609 16.906 -7.636 1.00 72.21 N ATOM 146 CA ALA A 10 4.835 16.210 -7.268 1.00 65.35 C ATOM 147 C ALA A 10 5.720 17.109 -6.424 1.00 33.31 C ATOM 148 O ALA A 10 5.843 18.306 -6.684 1.00 3.55 O ATOM 149 CB ALA A 10 5.594 15.691 -8.495 1.00 40.42 C ATOM 0 H ALA A 10 3.542 17.184 -8.615 1.00 72.21 H new ATOM 0 HA ALA A 10 4.553 15.339 -6.676 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.501 15.179 -8.172 1.00 40.42 H new ATOM 0 HB2 ALA A 10 4.962 14.995 -9.047 1.00 40.42 H new ATOM 0 HB3 ALA A 10 5.860 16.529 -9.140 1.00 40.42 H new ATOM 155 N GLY A 11 6.323 16.520 -5.395 1.00 73.14 N ATOM 156 CA GLY A 11 7.188 17.256 -4.483 1.00 23.13 C ATOM 157 C GLY A 11 6.615 17.208 -3.069 1.00 62.21 C ATOM 158 O GLY A 11 7.359 17.198 -2.089 1.00 2.41 O ATOM 0 H GLY A 11 6.226 15.529 -5.173 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.190 16.827 -4.493 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.281 18.291 -4.812 1.00 23.13 H new ATOM 162 N LYS A 12 5.284 17.170 -2.971 1.00 50.22 N ATOM 163 CA LYS A 12 4.631 17.112 -1.666 1.00 64.23 C ATOM 164 C LYS A 12 3.165 16.683 -1.783 1.00 33.14 C ATOM 165 O LYS A 12 2.323 17.454 -2.242 1.00 23.54 O ATOM 166 CB LYS A 12 4.705 18.482 -0.989 1.00 54.11 C ATOM 167 CG LYS A 12 4.242 18.358 0.464 1.00 51.14 C ATOM 168 CD LYS A 12 4.395 19.709 1.165 1.00 1.44 C ATOM 169 CE LYS A 12 4.052 19.559 2.648 1.00 14.14 C ATOM 170 NZ LYS A 12 4.545 20.751 3.396 1.00 61.31 N ATOM 0 H LYS A 12 4.647 17.178 -3.768 1.00 50.22 H new ATOM 0 HA LYS A 12 5.155 16.368 -1.067 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.726 18.863 -1.026 1.00 54.11 H new ATOM 0 HB3 LYS A 12 4.078 19.197 -1.522 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.202 18.034 0.499 1.00 51.14 H new ATOM 0 HG3 LYS A 12 4.830 17.599 0.981 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.416 20.075 1.053 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.739 20.447 0.702 1.00 1.44 H new ATOM 0 HE2 LYS A 12 2.974 19.457 2.774 1.00 14.14 H new ATOM 0 HE3 LYS A 12 4.507 18.652 3.047 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 4.312 20.649 4.404 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 5.576 20.828 3.285 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 4.091 21.608 3.021 1.00 61.31 H new ATOM 184 N TRP A 13 2.857 15.464 -1.333 1.00 70.35 N ATOM 185 CA TRP A 13 1.482 14.956 -1.353 1.00 13.43 C ATOM 186 C TRP A 13 1.020 14.807 0.097 1.00 24.03 C ATOM 187 O TRP A 13 1.721 14.197 0.904 1.00 52.23 O ATOM 188 CB TRP A 13 1.471 13.561 -2.012 1.00 71.25 C ATOM 189 CG TRP A 13 1.689 13.639 -3.467 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.662 14.327 -4.092 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.929 12.957 -4.494 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.553 14.091 -5.442 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.512 13.240 -5.734 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.191 12.108 -4.463 1.00 10.34 C ATOM 195 CZ2 TRP A 13 1.020 12.704 -6.913 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.701 11.567 -5.653 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.090 11.859 -6.878 1.00 42.33 C ATOM 0 H TRP A 13 3.540 14.810 -0.950 1.00 70.35 H new ATOM 0 HA TRP A 13 0.832 15.634 -1.906 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.246 12.941 -1.562 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.517 13.073 -1.814 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.400 14.955 -3.616 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.171 14.499 -6.144 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.661 11.871 -3.520 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.493 12.939 -7.855 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.568 10.923 -5.624 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.476 11.432 -7.792 1.00 42.33 H new ATOM 208 N TYR A 14 -0.127 15.389 0.452 1.00 55.13 N ATOM 209 CA TYR A 14 -0.606 15.327 1.837 1.00 3.33 C ATOM 210 C TYR A 14 -1.704 14.277 2.012 1.00 31.42 C ATOM 211 O TYR A 14 -2.743 14.345 1.367 1.00 34.32 O ATOM 212 CB TYR A 14 -1.142 16.723 2.236 1.00 20.12 C ATOM 213 CG TYR A 14 -0.484 17.228 3.510 1.00 42.10 C ATOM 214 CD1 TYR A 14 0.913 17.240 3.629 1.00 33.50 C ATOM 215 CD2 TYR A 14 -1.277 17.696 4.569 1.00 62.44 C ATOM 216 CE1 TYR A 14 1.511 17.715 4.802 1.00 51.12 C ATOM 217 CE2 TYR A 14 -0.674 18.171 5.739 1.00 44.23 C ATOM 218 CZ TYR A 14 0.719 18.180 5.854 1.00 0.24 C ATOM 219 OH TYR A 14 1.312 18.648 7.009 1.00 12.22 O ATOM 0 H TYR A 14 -0.734 15.901 -0.188 1.00 55.13 H new ATOM 0 HA TYR A 14 0.224 15.037 2.481 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -0.959 17.429 1.426 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.222 16.673 2.378 1.00 20.12 H new ATOM 0 HD1 TYR A 14 1.527 16.883 2.816 1.00 33.50 H new ATOM 0 HD2 TYR A 14 -2.353 17.690 4.481 1.00 62.44 H new ATOM 0 HE1 TYR A 14 2.587 17.722 4.894 1.00 51.12 H new ATOM 0 HE2 TYR A 14 -1.285 18.531 6.553 1.00 44.23 H new ATOM 0 HH TYR A 14 0.619 18.934 7.640 1.00 12.22 H new ATOM 229 N VAL A 15 -1.467 13.344 2.935 1.00 31.05 N ATOM 230 CA VAL A 15 -2.442 12.295 3.252 1.00 33.51 C ATOM 231 C VAL A 15 -3.279 12.753 4.443 1.00 44.40 C ATOM 232 O VAL A 15 -2.721 13.186 5.448 1.00 12.25 O ATOM 233 CB VAL A 15 -1.717 10.993 3.602 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.739 9.932 4.015 1.00 11.52 C ATOM 235 CG2 VAL A 15 -0.932 10.497 2.383 1.00 55.14 C ATOM 0 H VAL A 15 -0.606 13.292 3.479 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.084 12.116 2.389 1.00 33.51 H new ATOM 0 HB VAL A 15 -1.028 11.175 4.427 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.221 9.006 4.264 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.295 10.282 4.885 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.429 9.752 3.191 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.417 9.570 2.635 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.619 10.317 1.556 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.201 11.250 2.090 1.00 55.14 H new ATOM 245 N VAL A 16 -4.614 12.699 4.332 1.00 72.41 N ATOM 246 CA VAL A 16 -5.459 13.174 5.436 1.00 62.20 C ATOM 247 C VAL A 16 -6.675 12.300 5.714 1.00 74.34 C ATOM 248 O VAL A 16 -7.481 12.644 6.578 1.00 14.05 O ATOM 249 CB VAL A 16 -5.936 14.586 5.135 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.720 15.501 4.950 1.00 21.45 C ATOM 251 CG2 VAL A 16 -6.781 14.579 3.858 1.00 41.30 C ATOM 0 H VAL A 16 -5.118 12.344 3.519 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.834 13.137 6.328 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.543 14.954 5.962 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -5.057 16.515 4.734 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.124 15.503 5.863 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -4.113 15.136 4.122 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.123 15.591 3.642 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.179 14.214 3.026 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.643 13.927 3.996 1.00 41.30 H new ATOM 261 N ALA A 17 -6.777 11.150 5.067 1.00 31.30 N ATOM 262 CA ALA A 17 -7.885 10.239 5.364 1.00 63.12 C ATOM 263 C ALA A 17 -7.794 9.004 4.497 1.00 50.22 C ATOM 264 O ALA A 17 -7.465 9.093 3.315 1.00 25.22 O ATOM 265 CB ALA A 17 -9.244 10.915 5.125 1.00 40.12 C ATOM 0 H ALA A 17 -6.128 10.825 4.350 1.00 31.30 H new ATOM 0 HA ALA A 17 -7.808 9.963 6.416 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -10.045 10.212 5.354 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.333 11.790 5.769 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.319 11.223 4.082 1.00 40.12 H new ATOM 271 N LEU A 18 -8.062 7.842 5.084 1.00 41.03 N ATOM 272 CA LEU A 18 -7.973 6.599 4.332 1.00 14.30 C ATOM 273 C LEU A 18 -9.014 5.596 4.827 1.00 1.41 C ATOM 274 O LEU A 18 -9.346 5.557 6.012 1.00 54.35 O ATOM 275 CB LEU A 18 -6.532 6.046 4.478 1.00 13.23 C ATOM 276 CG LEU A 18 -6.491 4.498 4.498 1.00 44.51 C ATOM 277 CD1 LEU A 18 -5.198 4.009 3.839 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.526 3.991 5.945 1.00 42.33 C ATOM 0 H LEU A 18 -8.338 7.736 6.060 1.00 41.03 H new ATOM 0 HA LEU A 18 -8.184 6.778 3.278 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -5.920 6.412 3.653 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.090 6.430 5.397 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.356 4.118 3.954 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -5.171 2.919 3.854 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -5.161 4.358 2.807 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.340 4.401 4.386 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.497 2.901 5.950 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -5.664 4.379 6.488 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.442 4.331 6.428 1.00 42.33 H new ATOM 290 N ALA A 19 -9.514 4.781 3.898 1.00 72.11 N ATOM 291 CA ALA A 19 -10.507 3.763 4.220 1.00 31.11 C ATOM 292 C ALA A 19 -9.936 2.381 3.935 1.00 13.13 C ATOM 293 O ALA A 19 -8.952 2.244 3.209 1.00 23.53 O ATOM 294 CB ALA A 19 -11.783 3.978 3.390 1.00 4.41 C ATOM 0 H ALA A 19 -9.245 4.808 2.915 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.759 3.841 5.278 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.515 3.210 3.642 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.199 4.961 3.610 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.542 3.915 2.329 1.00 4.41 H new ATOM 300 N SER A 20 -10.552 1.361 4.515 1.00 62.30 N ATOM 301 CA SER A 20 -10.082 0.000 4.314 1.00 12.45 C ATOM 302 C SER A 20 -11.115 -1.010 4.777 1.00 24.04 C ATOM 303 O SER A 20 -12.168 -0.652 5.303 1.00 71.24 O ATOM 304 CB SER A 20 -8.778 -0.218 5.081 1.00 43.13 C ATOM 305 OG SER A 20 -9.050 -0.224 6.476 1.00 1.05 O ATOM 0 H SER A 20 -11.368 1.448 5.121 1.00 62.30 H new ATOM 0 HA SER A 20 -9.912 -0.144 3.247 1.00 12.45 H new ATOM 0 HB2 SER A 20 -8.321 -1.162 4.784 1.00 43.13 H new ATOM 0 HB3 SER A 20 -8.065 0.571 4.841 1.00 43.13 H new ATOM 0 HG SER A 20 -8.934 -1.131 6.828 1.00 1.05 H new ATOM 311 N ASN A 21 -10.780 -2.280 4.600 1.00 54.23 N ATOM 312 CA ASN A 21 -11.648 -3.372 5.021 1.00 53.10 C ATOM 313 C ASN A 21 -10.948 -4.134 6.133 1.00 74.32 C ATOM 314 O ASN A 21 -11.566 -4.904 6.868 1.00 11.43 O ATOM 315 CB ASN A 21 -11.932 -4.309 3.845 1.00 23.03 C ATOM 316 CG ASN A 21 -12.709 -3.567 2.763 1.00 70.51 C ATOM 317 OD1 ASN A 21 -13.051 -4.148 1.733 1.00 72.43 O ATOM 318 ND2 ASN A 21 -13.008 -2.308 2.934 1.00 32.42 N ATOM 0 H ASN A 21 -9.908 -2.581 4.165 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.599 -2.974 5.376 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -10.995 -4.688 3.437 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.503 -5.172 4.187 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -13.526 -1.804 2.214 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -12.724 -1.828 3.788 1.00 32.42 H new ATOM 325 N THR A 22 -9.648 -3.880 6.258 1.00 11.02 N ATOM 326 CA THR A 22 -8.847 -4.509 7.295 1.00 40.13 C ATOM 327 C THR A 22 -8.929 -3.669 8.565 1.00 24.02 C ATOM 328 O THR A 22 -8.373 -2.573 8.642 1.00 72.43 O ATOM 329 CB THR A 22 -7.390 -4.653 6.833 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.692 -5.485 7.746 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.710 -3.282 6.772 1.00 44.44 C ATOM 0 H THR A 22 -9.130 -3.243 5.653 1.00 11.02 H new ATOM 0 HA THR A 22 -9.233 -5.508 7.499 1.00 40.13 H new ATOM 0 HB THR A 22 -7.376 -5.096 5.837 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.375 -4.948 8.502 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.678 -3.402 6.443 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.243 -2.642 6.069 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.724 -2.824 7.761 1.00 44.44 H new ATOM 339 N GLU A 23 -9.673 -4.169 9.536 1.00 50.22 N ATOM 340 CA GLU A 23 -9.885 -3.444 10.781 1.00 21.22 C ATOM 341 C GLU A 23 -8.600 -2.795 11.282 1.00 33.42 C ATOM 342 O GLU A 23 -8.644 -1.769 11.955 1.00 60.34 O ATOM 343 CB GLU A 23 -10.429 -4.397 11.848 1.00 55.34 C ATOM 344 CG GLU A 23 -10.714 -3.621 13.136 1.00 23.42 C ATOM 345 CD GLU A 23 -11.402 -4.528 14.150 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.560 -5.702 13.854 1.00 72.44 O ATOM 347 OE2 GLU A 23 -11.761 -4.038 15.207 1.00 64.13 O ATOM 0 H GLU A 23 -10.141 -5.074 9.488 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.607 -2.651 10.586 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -11.341 -4.876 11.491 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -9.708 -5.191 12.042 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -9.783 -3.237 13.552 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.346 -2.759 12.919 1.00 23.42 H new ATOM 354 N PHE A 24 -7.466 -3.390 10.963 1.00 12.32 N ATOM 355 CA PHE A 24 -6.192 -2.843 11.409 1.00 62.34 C ATOM 356 C PHE A 24 -5.989 -1.390 10.957 1.00 43.04 C ATOM 357 O PHE A 24 -5.601 -0.542 11.760 1.00 34.23 O ATOM 358 CB PHE A 24 -5.038 -3.707 10.882 1.00 11.12 C ATOM 359 CG PHE A 24 -5.435 -5.168 10.899 1.00 35.23 C ATOM 360 CD1 PHE A 24 -6.079 -5.716 12.017 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.153 -5.978 9.791 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.440 -7.068 12.025 1.00 43.22 C ATOM 363 CE2 PHE A 24 -5.515 -7.330 9.800 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.159 -7.875 10.916 1.00 60.21 C ATOM 0 H PHE A 24 -7.397 -4.241 10.405 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.203 -2.852 12.499 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.780 -3.404 9.867 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.150 -3.556 11.496 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.297 -5.094 12.873 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -4.656 -5.559 8.929 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -6.936 -7.489 12.887 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.297 -7.953 8.945 1.00 62.52 H new ATOM 0 HZ PHE A 24 -6.439 -8.918 10.922 1.00 60.21 H new ATOM 374 N PHE A 25 -6.194 -1.109 9.667 1.00 4.22 N ATOM 375 CA PHE A 25 -5.962 0.243 9.132 1.00 53.40 C ATOM 376 C PHE A 25 -7.004 1.279 9.583 1.00 44.12 C ATOM 377 O PHE A 25 -6.644 2.367 10.026 1.00 73.34 O ATOM 378 CB PHE A 25 -5.941 0.176 7.591 1.00 14.51 C ATOM 379 CG PHE A 25 -4.818 1.028 7.025 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.521 2.279 7.582 1.00 75.12 C ATOM 381 CD2 PHE A 25 -4.077 0.560 5.933 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.487 3.057 7.051 1.00 44.54 C ATOM 383 CE2 PHE A 25 -3.042 1.339 5.403 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.747 2.588 5.961 1.00 1.40 C ATOM 0 H PHE A 25 -6.516 -1.788 8.978 1.00 4.22 H new ATOM 0 HA PHE A 25 -5.004 0.578 9.531 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.815 -0.858 7.270 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.897 0.519 7.195 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -5.092 2.643 8.423 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -4.304 -0.403 5.499 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -3.260 4.020 7.483 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -2.470 0.976 4.562 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.949 3.189 5.550 1.00 1.40 H new ATOM 394 N LEU A 26 -8.287 0.957 9.464 1.00 51.21 N ATOM 395 CA LEU A 26 -9.322 1.916 9.860 1.00 24.04 C ATOM 396 C LEU A 26 -9.311 2.125 11.370 1.00 24.21 C ATOM 397 O LEU A 26 -9.359 3.257 11.856 1.00 34.11 O ATOM 398 CB LEU A 26 -10.708 1.447 9.389 1.00 11.33 C ATOM 399 CG LEU A 26 -10.974 -0.014 9.819 1.00 54.15 C ATOM 400 CD1 LEU A 26 -12.014 -0.047 10.945 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.510 -0.819 8.624 1.00 64.21 C ATOM 0 H LEU A 26 -8.633 0.066 9.107 1.00 51.21 H new ATOM 0 HA LEU A 26 -9.104 2.870 9.380 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.477 2.098 9.805 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.774 1.528 8.304 1.00 11.33 H new ATOM 0 HG LEU A 26 -10.039 -0.451 10.170 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -12.196 -1.080 11.242 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.642 0.517 11.801 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.945 0.399 10.594 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.696 -1.848 8.932 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.440 -0.372 8.272 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.775 -0.809 7.819 1.00 64.21 H new ATOM 413 N ARG A 27 -9.238 1.026 12.100 1.00 34.32 N ATOM 414 CA ARG A 27 -9.212 1.102 13.554 1.00 64.22 C ATOM 415 C ARG A 27 -8.056 1.992 14.002 1.00 1.05 C ATOM 416 O ARG A 27 -8.220 2.852 14.867 1.00 3.25 O ATOM 417 CB ARG A 27 -9.062 -0.291 14.168 1.00 51.33 C ATOM 418 CG ARG A 27 -9.206 -0.198 15.689 1.00 52.22 C ATOM 419 CD ARG A 27 -9.401 -1.599 16.273 1.00 54.13 C ATOM 420 NE ARG A 27 -8.189 -2.393 16.098 1.00 14.32 N ATOM 421 CZ ARG A 27 -7.176 -2.301 16.954 1.00 52.13 C ATOM 422 NH1 ARG A 27 -7.254 -1.489 17.973 1.00 34.32 N ATOM 423 NH2 ARG A 27 -6.104 -3.024 16.776 1.00 70.23 N ATOM 0 H ARG A 27 -9.196 0.081 11.718 1.00 34.32 H new ATOM 0 HA ARG A 27 -10.155 1.529 13.896 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.818 -0.962 13.761 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -8.090 -0.711 13.909 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -8.319 0.267 16.121 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -10.055 0.435 15.946 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -9.648 -1.528 17.332 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -10.241 -2.091 15.783 1.00 54.13 H new ATOM 0 HE ARG A 27 -8.118 -3.030 15.305 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -8.092 -0.925 18.113 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -6.477 -1.419 18.630 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -6.044 -3.659 15.980 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -5.327 -2.954 17.433 1.00 70.23 H new ATOM 437 N GLU A 28 -6.881 1.768 13.416 1.00 12.43 N ATOM 438 CA GLU A 28 -5.697 2.546 13.774 1.00 52.20 C ATOM 439 C GLU A 28 -5.682 3.919 13.091 1.00 15.22 C ATOM 440 O GLU A 28 -5.301 4.920 13.701 1.00 34.35 O ATOM 441 CB GLU A 28 -4.436 1.766 13.385 1.00 33.00 C ATOM 442 CG GLU A 28 -3.238 2.279 14.190 1.00 20.23 C ATOM 443 CD GLU A 28 -1.942 1.741 13.596 1.00 43.21 C ATOM 444 OE1 GLU A 28 -1.805 1.786 12.385 1.00 1.12 O ATOM 445 OE2 GLU A 28 -1.105 1.291 14.361 1.00 0.13 O ATOM 0 H GLU A 28 -6.724 1.061 12.698 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.722 2.712 14.851 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.583 0.702 13.573 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -4.243 1.878 12.318 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -3.225 3.369 14.184 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -3.328 1.967 15.230 1.00 20.23 H new ATOM 452 N LYS A 29 -6.091 3.990 11.829 1.00 53.01 N ATOM 453 CA LYS A 29 -6.080 5.271 11.130 1.00 53.24 C ATOM 454 C LYS A 29 -6.719 6.341 12.001 1.00 15.32 C ATOM 455 O LYS A 29 -6.413 7.526 11.877 1.00 61.42 O ATOM 456 CB LYS A 29 -6.851 5.145 9.807 1.00 64.24 C ATOM 457 CG LYS A 29 -7.049 6.522 9.154 1.00 14.12 C ATOM 458 CD LYS A 29 -5.692 7.176 8.887 1.00 44.31 C ATOM 459 CE LYS A 29 -5.867 8.352 7.923 1.00 43.22 C ATOM 460 NZ LYS A 29 -4.528 8.857 7.507 1.00 33.11 N ATOM 0 H LYS A 29 -6.426 3.198 11.280 1.00 53.01 H new ATOM 0 HA LYS A 29 -5.049 5.555 10.918 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -6.308 4.490 9.126 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.821 4.682 9.989 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -7.600 6.414 8.220 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -7.647 7.160 9.805 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -5.254 7.523 9.823 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -5.002 6.446 8.464 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -6.437 8.038 7.049 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -6.435 9.149 8.404 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -4.545 9.896 7.470 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -3.811 8.547 8.194 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -4.292 8.481 6.567 1.00 33.11 H new ATOM 474 N ASP A 30 -7.618 5.912 12.869 1.00 25.34 N ATOM 475 CA ASP A 30 -8.316 6.835 13.748 1.00 24.43 C ATOM 476 C ASP A 30 -7.385 7.446 14.797 1.00 2.55 C ATOM 477 O ASP A 30 -7.667 8.529 15.311 1.00 42.30 O ATOM 478 CB ASP A 30 -9.463 6.109 14.454 1.00 21.02 C ATOM 479 CG ASP A 30 -10.347 7.115 15.181 1.00 23.24 C ATOM 480 OD1 ASP A 30 -11.218 7.681 14.541 1.00 74.02 O ATOM 481 OD2 ASP A 30 -10.142 7.305 16.369 1.00 64.35 O ATOM 0 H ASP A 30 -7.882 4.933 12.984 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.703 7.645 13.130 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -10.054 5.552 13.727 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -9.064 5.384 15.163 1.00 21.02 H new ATOM 486 N LYS A 31 -6.294 6.751 15.149 1.00 21.32 N ATOM 487 CA LYS A 31 -5.391 7.275 16.179 1.00 0.23 C ATOM 488 C LYS A 31 -4.222 8.089 15.620 1.00 11.45 C ATOM 489 O LYS A 31 -3.645 8.890 16.355 1.00 4.11 O ATOM 490 CB LYS A 31 -4.884 6.148 17.104 1.00 43.32 C ATOM 491 CG LYS A 31 -3.822 5.281 16.410 1.00 62.53 C ATOM 492 CD LYS A 31 -2.410 5.916 16.525 1.00 44.01 C ATOM 493 CE LYS A 31 -1.741 5.993 15.141 1.00 10.32 C ATOM 494 NZ LYS A 31 -1.009 4.723 14.879 1.00 12.43 N ATOM 0 H LYS A 31 -6.022 5.853 14.749 1.00 21.32 H new ATOM 0 HA LYS A 31 -5.989 7.972 16.767 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.464 6.582 18.011 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.723 5.522 17.409 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.813 4.287 16.857 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -4.082 5.156 15.359 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.488 6.915 16.954 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.793 5.325 17.202 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.493 6.159 14.369 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -1.053 6.838 15.103 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.039 4.938 14.571 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.978 4.155 15.749 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.498 4.188 14.133 1.00 12.43 H new ATOM 508 N MET A 32 -3.843 7.914 14.352 1.00 31.34 N ATOM 509 CA MET A 32 -2.711 8.698 13.827 1.00 70.41 C ATOM 510 C MET A 32 -3.124 10.128 13.500 1.00 62.31 C ATOM 511 O MET A 32 -4.278 10.521 13.672 1.00 70.22 O ATOM 512 CB MET A 32 -2.072 8.053 12.571 1.00 62.10 C ATOM 513 CG MET A 32 -3.139 7.513 11.605 1.00 13.23 C ATOM 514 SD MET A 32 -2.458 6.112 10.677 1.00 11.22 S ATOM 515 CE MET A 32 -2.550 4.884 12.001 1.00 23.44 C ATOM 0 H MET A 32 -4.276 7.269 13.692 1.00 31.34 H new ATOM 0 HA MET A 32 -1.966 8.710 14.622 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.455 8.790 12.057 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.411 7.241 12.875 1.00 62.10 H new ATOM 0 HG2 MET A 32 -4.023 7.200 12.160 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.455 8.299 10.919 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.543 4.571 12.278 1.00 23.44 H new ATOM 0 HE2 MET A 32 -3.046 5.320 12.868 1.00 23.44 H new ATOM 0 HE3 MET A 32 -3.117 4.019 11.656 1.00 23.44 H new ATOM 525 N LYS A 33 -2.148 10.893 13.018 1.00 42.12 N ATOM 526 CA LYS A 33 -2.352 12.290 12.641 1.00 30.03 C ATOM 527 C LYS A 33 -2.056 12.459 11.151 1.00 12.20 C ATOM 528 O LYS A 33 -1.627 11.510 10.494 1.00 73.25 O ATOM 529 CB LYS A 33 -1.411 13.181 13.454 1.00 20.23 C ATOM 530 CG LYS A 33 -1.937 13.319 14.883 1.00 61.45 C ATOM 531 CD LYS A 33 -0.913 14.077 15.728 1.00 71.34 C ATOM 532 CE LYS A 33 -1.479 14.315 17.130 1.00 23.54 C ATOM 533 NZ LYS A 33 -0.659 15.343 17.829 1.00 3.44 N ATOM 0 H LYS A 33 -1.193 10.562 12.878 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.384 12.576 12.843 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.409 12.753 13.465 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -1.333 14.164 12.989 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -2.889 13.850 14.882 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -2.121 12.334 15.312 1.00 61.45 H new ATOM 0 HD2 LYS A 33 0.014 13.508 15.791 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -0.671 15.029 15.256 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -2.516 14.645 17.064 1.00 23.54 H new ATOM 0 HE3 LYS A 33 -1.476 13.385 17.698 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 -0.784 15.246 18.857 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 0.344 15.210 17.588 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 -0.964 16.292 17.531 1.00 3.44 H new ATOM 547 N MET A 34 -2.286 13.649 10.606 1.00 41.31 N ATOM 548 CA MET A 34 -2.062 13.889 9.196 1.00 33.10 C ATOM 549 C MET A 34 -0.669 13.427 8.773 1.00 63.21 C ATOM 550 O MET A 34 0.319 13.670 9.466 1.00 52.35 O ATOM 551 CB MET A 34 -2.147 15.406 8.992 1.00 34.15 C ATOM 552 CG MET A 34 -2.197 15.763 7.504 1.00 52.42 C ATOM 553 SD MET A 34 -3.360 17.137 7.242 1.00 55.42 S ATOM 554 CE MET A 34 -4.868 16.323 7.822 1.00 62.44 C ATOM 0 H MET A 34 -2.627 14.459 11.124 1.00 41.31 H new ATOM 0 HA MET A 34 -2.797 13.343 8.605 1.00 33.10 H new ATOM 0 HB2 MET A 34 -3.035 15.793 9.492 1.00 34.15 H new ATOM 0 HB3 MET A 34 -1.285 15.887 9.455 1.00 34.15 H new ATOM 0 HG2 MET A 34 -1.204 16.043 7.154 1.00 52.42 H new ATOM 0 HG3 MET A 34 -2.507 14.895 6.922 1.00 52.42 H new ATOM 0 HE1 MET A 34 -5.722 16.691 7.253 1.00 62.44 H new ATOM 0 HE2 MET A 34 -4.776 15.246 7.683 1.00 62.44 H new ATOM 0 HE3 MET A 34 -5.015 16.541 8.880 1.00 62.44 H new ATOM 564 N ALA A 35 -0.611 12.750 7.624 1.00 21.44 N ATOM 565 CA ALA A 35 0.647 12.235 7.089 1.00 44.20 C ATOM 566 C ALA A 35 0.990 12.949 5.788 1.00 64.15 C ATOM 567 O ALA A 35 0.141 13.614 5.195 1.00 44.52 O ATOM 568 CB ALA A 35 0.532 10.724 6.850 1.00 54.02 C ATOM 0 H ALA A 35 -1.426 12.546 7.045 1.00 21.44 H new ATOM 0 HA ALA A 35 1.443 12.418 7.810 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.473 10.346 6.451 1.00 54.02 H new ATOM 0 HB2 ALA A 35 0.310 10.223 7.792 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.269 10.528 6.137 1.00 54.02 H new ATOM 574 N MET A 36 2.242 12.819 5.354 1.00 5.10 N ATOM 575 CA MET A 36 2.689 13.471 4.123 1.00 73.22 C ATOM 576 C MET A 36 3.414 12.471 3.232 1.00 60.32 C ATOM 577 O MET A 36 3.804 11.390 3.671 1.00 53.43 O ATOM 578 CB MET A 36 3.620 14.664 4.441 1.00 61.43 C ATOM 579 CG MET A 36 3.899 14.737 5.945 1.00 31.25 C ATOM 580 SD MET A 36 2.410 15.300 6.805 1.00 13.52 S ATOM 581 CE MET A 36 3.250 16.153 8.158 1.00 33.51 C ATOM 0 H MET A 36 2.960 12.273 5.831 1.00 5.10 H new ATOM 0 HA MET A 36 1.811 13.847 3.598 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.558 14.557 3.895 1.00 61.43 H new ATOM 0 HB3 MET A 36 3.159 15.593 4.105 1.00 61.43 H new ATOM 0 HG2 MET A 36 4.200 13.758 6.318 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.725 15.420 6.140 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.678 16.028 9.077 1.00 33.51 H new ATOM 0 HE2 MET A 36 4.247 15.732 8.291 1.00 33.51 H new ATOM 0 HE3 MET A 36 3.333 17.214 7.923 1.00 33.51 H new ATOM 591 N ALA A 37 3.574 12.847 1.971 1.00 51.34 N ATOM 592 CA ALA A 37 4.237 11.986 1.003 1.00 13.33 C ATOM 593 C ALA A 37 4.822 12.804 -0.139 1.00 20.11 C ATOM 594 O ALA A 37 4.409 13.933 -0.375 1.00 53.12 O ATOM 595 CB ALA A 37 3.225 10.990 0.436 1.00 24.41 C ATOM 0 H ALA A 37 3.255 13.740 1.595 1.00 51.34 H new ATOM 0 HA ALA A 37 5.047 11.458 1.507 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.718 10.343 -0.290 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.819 10.383 1.245 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.415 11.532 -0.053 1.00 24.41 H new ATOM 601 N ARG A 38 5.775 12.221 -0.855 1.00 10.24 N ATOM 602 CA ARG A 38 6.388 12.920 -1.999 1.00 73.45 C ATOM 603 C ARG A 38 6.582 11.950 -3.152 1.00 34.33 C ATOM 604 O ARG A 38 7.004 10.814 -2.952 1.00 62.01 O ATOM 605 CB ARG A 38 7.723 13.577 -1.617 1.00 70.14 C ATOM 606 CG ARG A 38 8.650 12.568 -0.940 1.00 11.32 C ATOM 607 CD ARG A 38 10.097 13.063 -1.021 1.00 44.30 C ATOM 608 NE ARG A 38 10.999 12.087 -0.418 1.00 70.55 N ATOM 609 CZ ARG A 38 12.234 12.421 -0.063 1.00 72.44 C ATOM 610 NH1 ARG A 38 12.661 13.639 -0.250 1.00 51.41 N ATOM 611 NH2 ARG A 38 13.022 11.530 0.476 1.00 42.02 N ATOM 0 H ARG A 38 6.141 11.286 -0.677 1.00 10.24 H new ATOM 0 HA ARG A 38 5.712 13.717 -2.308 1.00 73.45 H new ATOM 0 HB2 ARG A 38 8.204 13.978 -2.509 1.00 70.14 H new ATOM 0 HB3 ARG A 38 7.541 14.417 -0.947 1.00 70.14 H new ATOM 0 HG2 ARG A 38 8.359 12.434 0.102 1.00 11.32 H new ATOM 0 HG3 ARG A 38 8.560 11.595 -1.424 1.00 11.32 H new ATOM 0 HD2 ARG A 38 10.374 13.230 -2.062 1.00 44.30 H new ATOM 0 HD3 ARG A 38 10.191 14.020 -0.509 1.00 44.30 H new ATOM 0 HE ARG A 38 10.675 11.132 -0.267 1.00 70.55 H new ATOM 0 HH11 ARG A 38 12.046 14.336 -0.669 1.00 51.41 H new ATOM 0 HH12 ARG A 38 13.610 13.894 0.023 1.00 51.41 H new ATOM 0 HH21 ARG A 38 12.689 10.577 0.624 1.00 42.02 H new ATOM 0 HH22 ARG A 38 13.971 11.787 0.749 1.00 42.02 H new ATOM 625 N ILE A 39 6.223 12.386 -4.361 1.00 25.42 N ATOM 626 CA ILE A 39 6.299 11.558 -5.557 1.00 20.44 C ATOM 627 C ILE A 39 7.223 12.201 -6.584 1.00 41.22 C ATOM 628 O ILE A 39 7.265 13.427 -6.700 1.00 34.24 O ATOM 629 CB ILE A 39 4.897 11.478 -6.102 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.737 10.458 -7.228 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.508 12.820 -6.622 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.274 9.991 -7.230 1.00 61.20 C ATOM 0 H ILE A 39 5.871 13.327 -4.534 1.00 25.42 H new ATOM 0 HA ILE A 39 6.696 10.569 -5.330 1.00 20.44 H new ATOM 0 HB ILE A 39 4.257 11.154 -5.281 1.00 51.52 H new ATOM 0 HG12 ILE A 39 4.998 10.904 -8.188 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.408 9.613 -7.077 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.494 12.776 -7.020 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.549 13.550 -5.813 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.196 13.117 -7.414 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.127 9.260 -8.025 1.00 61.20 H new ATOM 0 HD12 ILE A 39 3.036 9.535 -6.269 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.619 10.846 -7.398 1.00 61.20 H new ATOM 644 N SER A 40 7.953 11.399 -7.329 1.00 55.20 N ATOM 645 CA SER A 40 8.842 11.951 -8.339 1.00 63.41 C ATOM 646 C SER A 40 9.057 10.943 -9.459 1.00 50.51 C ATOM 647 O SER A 40 8.801 9.753 -9.289 1.00 24.20 O ATOM 648 CB SER A 40 10.157 12.354 -7.703 1.00 72.31 C ATOM 649 OG SER A 40 9.899 13.141 -6.548 1.00 21.15 O ATOM 0 H SER A 40 7.953 10.381 -7.261 1.00 55.20 H new ATOM 0 HA SER A 40 8.386 12.841 -8.773 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.730 11.467 -7.432 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.760 12.918 -8.414 1.00 72.31 H new ATOM 0 HG SER A 40 9.054 13.624 -6.663 1.00 21.15 H new ATOM 655 N PHE A 41 9.500 11.424 -10.618 1.00 13.21 N ATOM 656 CA PHE A 41 9.699 10.540 -11.765 1.00 73.23 C ATOM 657 C PHE A 41 11.157 10.130 -11.950 1.00 22.01 C ATOM 658 O PHE A 41 11.892 10.749 -12.719 1.00 31.42 O ATOM 659 CB PHE A 41 9.212 11.239 -13.035 1.00 43.55 C ATOM 660 CG PHE A 41 7.739 11.546 -12.906 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.320 12.683 -12.207 1.00 3.33 C ATOM 662 CD2 PHE A 41 6.792 10.691 -13.485 1.00 22.43 C ATOM 663 CE1 PHE A 41 5.955 12.968 -12.086 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.426 10.975 -13.364 1.00 14.24 C ATOM 665 CZ PHE A 41 5.008 12.114 -12.665 1.00 11.12 C ATOM 0 H PHE A 41 9.725 12.404 -10.788 1.00 13.21 H new ATOM 0 HA PHE A 41 9.126 9.633 -11.574 1.00 73.23 H new ATOM 0 HB2 PHE A 41 9.774 12.159 -13.195 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.388 10.604 -13.903 1.00 43.55 H new ATOM 0 HD1 PHE A 41 8.050 13.341 -11.760 1.00 3.33 H new ATOM 0 HD2 PHE A 41 7.115 9.813 -14.025 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.632 13.846 -11.546 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.696 10.316 -13.810 1.00 14.24 H new ATOM 0 HZ PHE A 41 3.955 12.334 -12.572 1.00 11.12 H new ATOM 675 N LEU A 42 11.555 9.055 -11.277 1.00 72.14 N ATOM 676 CA LEU A 42 12.915 8.549 -11.427 1.00 3.31 C ATOM 677 C LEU A 42 13.154 8.296 -12.907 1.00 2.14 C ATOM 678 O LEU A 42 14.226 8.567 -13.449 1.00 13.22 O ATOM 679 CB LEU A 42 13.087 7.229 -10.669 1.00 63.03 C ATOM 680 CG LEU A 42 13.113 7.469 -9.153 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.655 6.191 -8.429 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.538 7.826 -8.707 1.00 1.35 C ATOM 0 H LEU A 42 10.967 8.525 -10.633 1.00 72.14 H new ATOM 0 HA LEU A 42 13.622 9.276 -11.026 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.271 6.551 -10.920 1.00 63.03 H new ATOM 0 HB3 LEU A 42 14.012 6.744 -10.981 1.00 63.03 H new ATOM 0 HG LEU A 42 12.443 8.293 -8.906 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.672 6.357 -7.352 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.642 5.939 -8.741 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.327 5.370 -8.680 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.551 7.995 -7.630 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.213 7.006 -8.953 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.864 8.731 -9.220 1.00 1.35 H new ATOM 694 N GLY A 43 12.109 7.781 -13.542 1.00 24.41 N ATOM 695 CA GLY A 43 12.122 7.477 -14.964 1.00 32.34 C ATOM 696 C GLY A 43 10.691 7.255 -15.441 1.00 5.31 C ATOM 697 O GLY A 43 9.798 7.002 -14.631 1.00 55.24 O ATOM 0 H GLY A 43 11.226 7.562 -13.082 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.580 8.295 -15.519 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.723 6.588 -15.153 1.00 32.34 H new ATOM 701 N GLU A 44 10.465 7.355 -16.742 1.00 61.02 N ATOM 702 CA GLU A 44 9.121 7.165 -17.277 1.00 43.32 C ATOM 703 C GLU A 44 8.520 5.865 -16.755 1.00 4.12 C ATOM 704 O GLU A 44 7.299 5.709 -16.715 1.00 13.41 O ATOM 705 CB GLU A 44 9.159 7.139 -18.807 1.00 42.22 C ATOM 706 CG GLU A 44 9.578 8.513 -19.332 1.00 2.53 C ATOM 707 CD GLU A 44 8.480 9.535 -19.053 1.00 3.44 C ATOM 708 OE1 GLU A 44 7.371 9.119 -18.758 1.00 73.24 O ATOM 709 OE2 GLU A 44 8.764 10.718 -19.137 1.00 22.15 O ATOM 0 H GLU A 44 11.180 7.563 -17.439 1.00 61.02 H new ATOM 0 HA GLU A 44 8.499 7.998 -16.950 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.859 6.378 -19.151 1.00 42.22 H new ATOM 0 HB3 GLU A 44 8.179 6.871 -19.201 1.00 42.22 H new ATOM 0 HG2 GLU A 44 10.507 8.826 -18.855 1.00 2.53 H new ATOM 0 HG3 GLU A 44 9.772 8.459 -20.403 1.00 2.53 H new ATOM 716 N ASP A 45 9.384 4.935 -16.352 1.00 41.50 N ATOM 717 CA ASP A 45 8.928 3.648 -15.824 1.00 21.20 C ATOM 718 C ASP A 45 9.425 3.455 -14.394 1.00 63.11 C ATOM 719 O ASP A 45 9.349 2.356 -13.844 1.00 64.22 O ATOM 720 CB ASP A 45 9.439 2.503 -16.709 1.00 33.33 C ATOM 721 CG ASP A 45 9.566 2.977 -18.154 1.00 41.45 C ATOM 722 OD1 ASP A 45 8.541 3.185 -18.781 1.00 62.25 O ATOM 723 OD2 ASP A 45 10.688 3.125 -18.610 1.00 71.02 O ATOM 0 H ASP A 45 10.398 5.046 -16.380 1.00 41.50 H new ATOM 0 HA ASP A 45 7.838 3.641 -15.824 1.00 21.20 H new ATOM 0 HB2 ASP A 45 10.406 2.155 -16.345 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.754 1.657 -16.654 1.00 33.33 H new ATOM 728 N GLU A 46 9.931 4.530 -13.797 1.00 61.05 N ATOM 729 CA GLU A 46 10.438 4.473 -12.429 1.00 11.53 C ATOM 730 C GLU A 46 9.957 5.682 -11.632 1.00 61.35 C ATOM 731 O GLU A 46 10.235 6.827 -11.991 1.00 31.14 O ATOM 732 CB GLU A 46 11.967 4.438 -12.446 1.00 1.23 C ATOM 733 CG GLU A 46 12.444 3.261 -13.297 1.00 54.41 C ATOM 734 CD GLU A 46 13.965 3.167 -13.253 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.581 4.084 -12.735 1.00 35.14 O ATOM 736 OE2 GLU A 46 14.493 2.179 -13.738 1.00 24.22 O ATOM 0 H GLU A 46 10.001 5.448 -14.236 1.00 61.05 H new ATOM 0 HA GLU A 46 10.061 3.568 -11.953 1.00 11.53 H new ATOM 0 HB2 GLU A 46 12.358 5.373 -12.848 1.00 1.23 H new ATOM 0 HB3 GLU A 46 12.350 4.344 -11.430 1.00 1.23 H new ATOM 0 HG2 GLU A 46 12.004 2.334 -12.930 1.00 54.41 H new ATOM 0 HG3 GLU A 46 12.109 3.387 -14.327 1.00 54.41 H new ATOM 743 N LEU A 47 9.193 5.420 -10.574 1.00 71.31 N ATOM 744 CA LEU A 47 8.627 6.486 -9.745 1.00 10.13 C ATOM 745 C LEU A 47 8.969 6.276 -8.273 1.00 4.12 C ATOM 746 O LEU A 47 8.897 5.160 -7.767 1.00 72.11 O ATOM 747 CB LEU A 47 7.093 6.465 -9.907 1.00 22.32 C ATOM 748 CG LEU A 47 6.579 7.751 -10.579 1.00 12.11 C ATOM 749 CD1 LEU A 47 5.287 7.425 -11.322 1.00 62.32 C ATOM 750 CD2 LEU A 47 6.300 8.832 -9.516 1.00 41.54 C ATOM 0 H LEU A 47 8.950 4.478 -10.269 1.00 71.31 H new ATOM 0 HA LEU A 47 9.044 7.441 -10.064 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.801 5.600 -10.503 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.624 6.352 -8.929 1.00 22.32 H new ATOM 0 HG LEU A 47 7.331 8.128 -11.272 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.908 8.326 -11.805 1.00 62.32 H new ATOM 0 HD12 LEU A 47 5.484 6.664 -12.077 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.545 7.052 -10.616 1.00 62.32 H new ATOM 0 HD21 LEU A 47 5.937 9.737 -10.004 1.00 41.54 H new ATOM 0 HD22 LEU A 47 5.546 8.469 -8.817 1.00 41.54 H new ATOM 0 HD23 LEU A 47 7.219 9.056 -8.974 1.00 41.54 H new ATOM 762 N LYS A 48 9.338 7.358 -7.590 1.00 22.02 N ATOM 763 CA LYS A 48 9.678 7.279 -6.172 1.00 31.55 C ATOM 764 C LYS A 48 8.569 7.896 -5.323 1.00 12.40 C ATOM 765 O LYS A 48 8.314 9.093 -5.420 1.00 65.42 O ATOM 766 CB LYS A 48 10.992 8.036 -5.923 1.00 74.40 C ATOM 767 CG LYS A 48 11.693 7.498 -4.671 1.00 43.45 C ATOM 768 CD LYS A 48 13.097 8.103 -4.579 1.00 31.23 C ATOM 769 CE LYS A 48 13.000 9.623 -4.415 1.00 60.11 C ATOM 770 NZ LYS A 48 14.254 10.136 -3.794 1.00 23.24 N ATOM 0 H LYS A 48 9.409 8.293 -7.992 1.00 22.02 H new ATOM 0 HA LYS A 48 9.793 6.231 -5.893 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.648 7.932 -6.787 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.788 9.100 -5.804 1.00 74.40 H new ATOM 0 HG2 LYS A 48 11.117 7.750 -3.781 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.755 6.411 -4.714 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.634 7.671 -3.735 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.666 7.861 -5.476 1.00 31.23 H new ATOM 0 HE2 LYS A 48 12.842 10.095 -5.385 1.00 60.11 H new ATOM 0 HE3 LYS A 48 12.142 9.879 -3.793 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 14.362 11.147 -4.013 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 14.208 10.009 -2.763 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 15.068 9.611 -4.172 1.00 23.24 H new ATOM 784 N VAL A 49 7.925 7.081 -4.478 1.00 14.01 N ATOM 785 CA VAL A 49 6.857 7.581 -3.604 1.00 20.43 C ATOM 786 C VAL A 49 7.223 7.334 -2.151 1.00 3.24 C ATOM 787 O VAL A 49 7.806 6.309 -1.797 1.00 52.54 O ATOM 788 CB VAL A 49 5.489 6.958 -3.985 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.626 6.655 -2.762 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.715 7.948 -4.845 1.00 0.14 C ATOM 0 H VAL A 49 8.122 6.085 -4.381 1.00 14.01 H new ATOM 0 HA VAL A 49 6.754 8.657 -3.742 1.00 20.43 H new ATOM 0 HB VAL A 49 5.698 6.026 -4.511 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.679 6.220 -3.083 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.148 5.950 -2.114 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.434 7.578 -2.214 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.751 7.518 -5.117 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.556 8.869 -4.285 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.283 8.167 -5.749 1.00 0.14 H new ATOM 800 N SER A 50 6.927 8.329 -1.334 1.00 72.14 N ATOM 801 CA SER A 50 7.273 8.295 0.078 1.00 75.02 C ATOM 802 C SER A 50 6.075 8.537 0.979 1.00 4.34 C ATOM 803 O SER A 50 5.148 9.257 0.608 1.00 74.01 O ATOM 804 CB SER A 50 8.270 9.406 0.319 1.00 34.44 C ATOM 805 OG SER A 50 8.864 9.253 1.602 1.00 73.43 O ATOM 0 H SER A 50 6.444 9.178 -1.626 1.00 72.14 H new ATOM 0 HA SER A 50 7.669 7.307 0.313 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.040 9.389 -0.452 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.773 10.374 0.252 1.00 34.44 H new ATOM 0 HG SER A 50 8.680 8.353 1.942 1.00 73.43 H new ATOM 811 N TYR A 51 6.146 7.976 2.191 1.00 10.20 N ATOM 812 CA TYR A 51 5.095 8.163 3.192 1.00 41.44 C ATOM 813 C TYR A 51 5.700 8.712 4.482 1.00 60.13 C ATOM 814 O TYR A 51 6.731 8.223 4.945 1.00 44.53 O ATOM 815 CB TYR A 51 4.393 6.839 3.532 1.00 53.10 C ATOM 816 CG TYR A 51 4.216 5.982 2.304 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.680 6.529 1.139 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.568 4.627 2.344 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.497 5.724 0.011 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.388 3.823 1.215 1.00 23.14 C ATOM 821 CZ TYR A 51 3.853 4.372 0.047 1.00 5.10 C ATOM 822 OH TYR A 51 3.670 3.580 -1.068 1.00 41.31 O ATOM 0 H TYR A 51 6.921 7.389 2.501 1.00 10.20 H new ATOM 0 HA TYR A 51 4.369 8.858 2.770 1.00 41.44 H new ATOM 0 HB2 TYR A 51 4.976 6.296 4.276 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.420 7.045 3.978 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.407 7.573 1.108 1.00 1.03 H new ATOM 0 HD2 TYR A 51 4.979 4.203 3.248 1.00 14.40 H new ATOM 0 HE1 TYR A 51 3.080 6.147 -0.891 1.00 5.12 H new ATOM 0 HE2 TYR A 51 4.662 2.779 1.245 1.00 23.14 H new ATOM 0 HH TYR A 51 4.101 4.000 -1.842 1.00 41.31 H new ATOM 832 N ALA A 52 5.049 9.710 5.069 1.00 1.20 N ATOM 833 CA ALA A 52 5.528 10.298 6.319 1.00 61.54 C ATOM 834 C ALA A 52 4.399 10.329 7.344 1.00 33.01 C ATOM 835 O ALA A 52 3.435 11.080 7.195 1.00 4.12 O ATOM 836 CB ALA A 52 6.046 11.719 6.065 1.00 64.52 C ATOM 0 H ALA A 52 4.193 10.128 4.704 1.00 1.20 H new ATOM 0 HA ALA A 52 6.344 9.689 6.709 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.401 12.150 7.001 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.866 11.685 5.348 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.240 12.334 5.665 1.00 64.52 H new ATOM 842 N VAL A 53 4.522 9.505 8.385 1.00 1.11 N ATOM 843 CA VAL A 53 3.505 9.441 9.431 1.00 2.13 C ATOM 844 C VAL A 53 4.078 9.972 10.753 1.00 53.41 C ATOM 845 O VAL A 53 4.998 9.374 11.309 1.00 65.45 O ATOM 846 CB VAL A 53 3.065 7.983 9.619 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.695 7.940 10.301 1.00 41.12 C ATOM 848 CG2 VAL A 53 2.975 7.302 8.251 1.00 53.35 C ATOM 0 H VAL A 53 5.313 8.876 8.525 1.00 1.11 H new ATOM 0 HA VAL A 53 2.651 10.052 9.140 1.00 2.13 H new ATOM 0 HB VAL A 53 3.793 7.462 10.242 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.386 6.903 10.433 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.758 8.426 11.275 1.00 41.12 H new ATOM 0 HG13 VAL A 53 0.964 8.460 9.682 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.663 6.266 8.380 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.247 7.826 7.631 1.00 53.35 H new ATOM 0 HG23 VAL A 53 3.951 7.329 7.766 1.00 53.35 H new ATOM 858 N PRO A 54 3.564 11.066 11.272 1.00 24.31 N ATOM 859 CA PRO A 54 4.056 11.648 12.551 1.00 4.44 C ATOM 860 C PRO A 54 3.393 11.006 13.768 1.00 44.22 C ATOM 861 O PRO A 54 2.901 11.700 14.654 1.00 43.31 O ATOM 862 CB PRO A 54 3.666 13.119 12.418 1.00 70.12 C ATOM 863 CG PRO A 54 2.389 13.097 11.642 1.00 63.40 C ATOM 864 CD PRO A 54 2.469 11.881 10.707 1.00 21.22 C ATOM 0 HA PRO A 54 5.123 11.489 12.707 1.00 4.44 H new ATOM 0 HB2 PRO A 54 3.529 13.584 13.395 1.00 70.12 H new ATOM 0 HB3 PRO A 54 4.437 13.689 11.899 1.00 70.12 H new ATOM 0 HG2 PRO A 54 1.531 13.018 12.309 1.00 63.40 H new ATOM 0 HG3 PRO A 54 2.265 14.018 11.072 1.00 63.40 H new ATOM 0 HD2 PRO A 54 1.529 11.329 10.689 1.00 21.22 H new ATOM 0 HD3 PRO A 54 2.683 12.180 9.681 1.00 21.22 H new ATOM 872 N LYS A 55 3.390 9.678 13.801 1.00 32.12 N ATOM 873 CA LYS A 55 2.788 8.949 14.910 1.00 22.13 C ATOM 874 C LYS A 55 3.319 9.474 16.248 1.00 34.53 C ATOM 875 O LYS A 55 4.483 9.247 16.578 1.00 63.23 O ATOM 876 CB LYS A 55 3.120 7.461 14.780 1.00 52.02 C ATOM 877 CG LYS A 55 2.297 6.658 15.788 1.00 33.05 C ATOM 878 CD LYS A 55 2.746 5.194 15.759 1.00 65.33 C ATOM 879 CE LYS A 55 1.836 4.352 16.659 1.00 43.42 C ATOM 880 NZ LYS A 55 2.552 3.110 17.065 1.00 50.10 N ATOM 0 H LYS A 55 3.796 9.087 13.076 1.00 32.12 H new ATOM 0 HA LYS A 55 1.708 9.092 14.880 1.00 22.13 H new ATOM 0 HB2 LYS A 55 2.907 7.118 13.767 1.00 52.02 H new ATOM 0 HB3 LYS A 55 4.184 7.300 14.954 1.00 52.02 H new ATOM 0 HG2 LYS A 55 2.425 7.070 16.789 1.00 33.05 H new ATOM 0 HG3 LYS A 55 1.236 6.730 15.547 1.00 33.05 H new ATOM 0 HD2 LYS A 55 2.714 4.815 14.738 1.00 65.33 H new ATOM 0 HD3 LYS A 55 3.780 5.115 16.096 1.00 65.33 H new ATOM 0 HE2 LYS A 55 1.549 4.924 17.541 1.00 43.42 H new ATOM 0 HE3 LYS A 55 0.917 4.099 16.130 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 1.935 2.538 17.676 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 2.805 2.562 16.218 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 3.417 3.362 17.585 1.00 50.10 H new ATOM 894 N PRO A 56 2.515 10.166 17.024 1.00 52.11 N ATOM 895 CA PRO A 56 2.960 10.707 18.341 1.00 72.53 C ATOM 896 C PRO A 56 3.790 9.699 19.136 1.00 42.15 C ATOM 897 O PRO A 56 4.562 10.077 20.016 1.00 61.53 O ATOM 898 CB PRO A 56 1.646 11.026 19.056 1.00 62.43 C ATOM 899 CG PRO A 56 0.686 11.357 17.961 1.00 42.35 C ATOM 900 CD PRO A 56 1.105 10.517 16.748 1.00 12.24 C ATOM 0 HA PRO A 56 3.614 11.572 18.230 1.00 72.53 H new ATOM 0 HB2 PRO A 56 1.299 10.176 19.643 1.00 62.43 H new ATOM 0 HB3 PRO A 56 1.764 11.862 19.745 1.00 62.43 H new ATOM 0 HG2 PRO A 56 -0.337 11.126 18.258 1.00 42.35 H new ATOM 0 HG3 PRO A 56 0.717 12.421 17.726 1.00 42.35 H new ATOM 0 HD2 PRO A 56 0.485 9.626 16.646 1.00 12.24 H new ATOM 0 HD3 PRO A 56 1.008 11.081 15.820 1.00 12.24 H new ATOM 908 N ASN A 57 3.624 8.417 18.824 1.00 21.20 N ATOM 909 CA ASN A 57 4.364 7.371 19.525 1.00 5.00 C ATOM 910 C ASN A 57 5.775 7.230 18.959 1.00 71.00 C ATOM 911 O ASN A 57 6.689 6.790 19.657 1.00 41.55 O ATOM 912 CB ASN A 57 3.629 6.036 19.399 1.00 61.55 C ATOM 913 CG ASN A 57 2.208 6.170 19.936 1.00 51.04 C ATOM 914 OD1 ASN A 57 1.807 7.251 20.368 1.00 74.33 O ATOM 915 ND2 ASN A 57 1.419 5.132 19.934 1.00 63.44 N ATOM 0 H ASN A 57 2.991 8.079 18.099 1.00 21.20 H new ATOM 0 HA ASN A 57 4.435 7.652 20.576 1.00 5.00 H new ATOM 0 HB2 ASN A 57 3.604 5.722 18.355 1.00 61.55 H new ATOM 0 HB3 ASN A 57 4.164 5.263 19.951 1.00 61.55 H new ATOM 0 HD21 ASN A 57 0.467 5.214 20.291 1.00 63.44 H new ATOM 0 HD22 ASN A 57 1.754 4.238 19.576 1.00 63.44 H new ATOM 922 N GLY A 58 5.949 7.604 17.694 1.00 21.40 N ATOM 923 CA GLY A 58 7.258 7.510 17.059 1.00 65.22 C ATOM 924 C GLY A 58 7.216 8.037 15.631 1.00 22.03 C ATOM 925 O GLY A 58 6.498 7.505 14.784 1.00 54.50 O ATOM 0 H GLY A 58 5.209 7.971 17.095 1.00 21.40 H new ATOM 0 HA2 GLY A 58 7.987 8.077 17.637 1.00 65.22 H new ATOM 0 HA3 GLY A 58 7.590 6.472 17.057 1.00 65.22 H new ATOM 929 N CYS A 59 7.989 9.086 15.367 1.00 54.34 N ATOM 930 CA CYS A 59 8.032 9.674 14.035 1.00 51.21 C ATOM 931 C CYS A 59 8.552 8.659 13.021 1.00 31.45 C ATOM 932 O CYS A 59 9.759 8.536 12.816 1.00 44.11 O ATOM 933 CB CYS A 59 8.938 10.908 14.038 1.00 1.22 C ATOM 934 SG CYS A 59 9.246 11.443 12.336 1.00 70.24 S ATOM 0 H CYS A 59 8.590 9.543 16.053 1.00 54.34 H new ATOM 0 HA CYS A 59 7.021 9.968 13.753 1.00 51.21 H new ATOM 0 HB2 CYS A 59 8.470 11.714 14.604 1.00 1.22 H new ATOM 0 HB3 CYS A 59 9.881 10.677 14.533 1.00 1.22 H new ATOM 939 N ARG A 60 7.631 7.936 12.387 1.00 40.34 N ATOM 940 CA ARG A 60 8.006 6.934 11.392 1.00 42.44 C ATOM 941 C ARG A 60 8.029 7.552 9.999 1.00 63.14 C ATOM 942 O ARG A 60 6.996 7.964 9.473 1.00 64.13 O ATOM 943 CB ARG A 60 7.013 5.771 11.423 1.00 33.31 C ATOM 944 CG ARG A 60 7.228 4.951 12.696 1.00 55.20 C ATOM 945 CD ARG A 60 6.264 3.763 12.711 1.00 43.01 C ATOM 946 NE ARG A 60 6.356 3.056 13.982 1.00 23.22 N ATOM 947 CZ ARG A 60 5.576 2.012 14.247 1.00 44.41 C ATOM 948 NH1 ARG A 60 4.710 1.604 13.360 1.00 33.41 N ATOM 949 NH2 ARG A 60 5.677 1.396 15.392 1.00 34.22 N ATOM 0 H ARG A 60 6.627 8.024 12.543 1.00 40.34 H new ATOM 0 HA ARG A 60 9.003 6.564 11.630 1.00 42.44 H new ATOM 0 HB2 ARG A 60 5.992 6.150 11.390 1.00 33.31 H new ATOM 0 HB3 ARG A 60 7.148 5.140 10.544 1.00 33.31 H new ATOM 0 HG2 ARG A 60 8.258 4.597 12.743 1.00 55.20 H new ATOM 0 HG3 ARG A 60 7.065 5.575 13.575 1.00 55.20 H new ATOM 0 HD2 ARG A 60 5.243 4.112 12.554 1.00 43.01 H new ATOM 0 HD3 ARG A 60 6.499 3.084 11.891 1.00 43.01 H new ATOM 0 HE ARG A 60 7.031 3.367 14.681 1.00 23.22 H new ATOM 0 HH11 ARG A 60 4.632 2.086 12.464 1.00 33.41 H new ATOM 0 HH12 ARG A 60 4.111 0.803 13.562 1.00 33.41 H new ATOM 0 HH21 ARG A 60 6.354 1.715 16.085 1.00 34.22 H new ATOM 0 HH22 ARG A 60 5.079 0.595 15.595 1.00 34.22 H new ATOM 963 N LYS A 61 9.219 7.606 9.404 1.00 74.25 N ATOM 964 CA LYS A 61 9.379 8.168 8.065 1.00 1.21 C ATOM 965 C LYS A 61 10.252 7.262 7.204 1.00 72.44 C ATOM 966 O LYS A 61 11.323 6.828 7.631 1.00 43.24 O ATOM 967 CB LYS A 61 10.010 9.561 8.155 1.00 73.32 C ATOM 968 CG LYS A 61 11.458 9.442 8.636 1.00 34.44 C ATOM 969 CD LYS A 61 11.982 10.826 9.021 1.00 35.33 C ATOM 970 CE LYS A 61 13.505 10.775 9.166 1.00 45.45 C ATOM 971 NZ LYS A 61 13.993 12.059 9.741 1.00 23.33 N ATOM 0 H LYS A 61 10.084 7.269 9.827 1.00 74.25 H new ATOM 0 HA LYS A 61 8.395 8.246 7.603 1.00 1.21 H new ATOM 0 HB2 LYS A 61 9.979 10.048 7.180 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.439 10.186 8.842 1.00 73.32 H new ATOM 0 HG2 LYS A 61 11.514 8.769 9.492 1.00 34.44 H new ATOM 0 HG3 LYS A 61 12.079 9.012 7.851 1.00 34.44 H new ATOM 0 HD2 LYS A 61 11.703 11.556 8.261 1.00 35.33 H new ATOM 0 HD3 LYS A 61 11.528 11.151 9.957 1.00 35.33 H new ATOM 0 HE2 LYS A 61 13.792 9.944 9.810 1.00 45.45 H new ATOM 0 HE3 LYS A 61 13.968 10.600 8.195 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 15.028 12.024 9.839 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 13.731 12.843 9.110 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 13.561 12.207 10.675 1.00 23.33 H new ATOM 985 N TRP A 62 9.796 6.983 5.987 1.00 45.33 N ATOM 986 CA TRP A 62 10.556 6.133 5.076 1.00 74.52 C ATOM 987 C TRP A 62 10.174 6.431 3.626 1.00 14.12 C ATOM 988 O TRP A 62 9.268 7.224 3.360 1.00 0.00 O ATOM 989 CB TRP A 62 10.335 4.648 5.434 1.00 72.22 C ATOM 990 CG TRP A 62 9.358 4.000 4.502 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.085 4.404 4.300 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.559 2.833 3.653 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.491 3.559 3.380 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.359 2.575 2.951 1.00 2.15 C ATOM 995 CE3 TRP A 62 10.657 1.982 3.425 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.250 1.511 2.056 1.00 14.44 C ATOM 997 CZ3 TRP A 62 10.551 0.910 2.524 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.349 0.675 1.841 1.00 70.52 C ATOM 0 H TRP A 62 8.913 7.329 5.611 1.00 45.33 H new ATOM 0 HA TRP A 62 11.619 6.348 5.183 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.286 4.117 5.393 1.00 72.22 H new ATOM 0 HB3 TRP A 62 9.970 4.570 6.458 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.609 5.248 4.778 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.528 3.652 3.057 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.587 2.155 3.946 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.322 1.334 1.532 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.400 0.263 2.356 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.273 -0.151 1.150 1.00 70.52 H new ATOM 1009 N GLU A 63 10.884 5.799 2.695 1.00 12.11 N ATOM 1010 CA GLU A 63 10.635 6.008 1.269 1.00 40.41 C ATOM 1011 C GLU A 63 10.238 4.705 0.581 1.00 43.12 C ATOM 1012 O GLU A 63 10.462 3.616 1.108 1.00 43.41 O ATOM 1013 CB GLU A 63 11.896 6.575 0.612 1.00 23.13 C ATOM 1014 CG GLU A 63 11.565 7.105 -0.784 1.00 20.21 C ATOM 1015 CD GLU A 63 12.736 7.927 -1.309 1.00 53.42 C ATOM 1016 OE1 GLU A 63 13.821 7.380 -1.412 1.00 63.30 O ATOM 1017 OE2 GLU A 63 12.531 9.095 -1.598 1.00 2.33 O ATOM 0 H GLU A 63 11.635 5.139 2.900 1.00 12.11 H new ATOM 0 HA GLU A 63 9.810 6.712 1.162 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.307 7.376 1.226 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.660 5.801 0.544 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.358 6.275 -1.460 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.665 7.718 -0.747 1.00 20.21 H new ATOM 1024 N THR A 64 9.641 4.833 -0.602 1.00 42.12 N ATOM 1025 CA THR A 64 9.201 3.671 -1.371 1.00 71.14 C ATOM 1026 C THR A 64 9.320 3.949 -2.868 1.00 41.23 C ATOM 1027 O THR A 64 9.099 5.074 -3.317 1.00 12.21 O ATOM 1028 CB THR A 64 7.749 3.342 -1.021 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.580 3.394 0.387 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.398 1.941 -1.529 1.00 54.24 C ATOM 0 H THR A 64 9.451 5.730 -1.049 1.00 42.12 H new ATOM 0 HA THR A 64 9.837 2.822 -1.120 1.00 71.14 H new ATOM 0 HB THR A 64 7.090 4.070 -1.494 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.230 2.800 0.817 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.363 1.711 -1.277 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.525 1.904 -2.611 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.056 1.209 -1.061 1.00 54.24 H new ATOM 1038 N THR A 65 9.682 2.923 -3.639 1.00 41.52 N ATOM 1039 CA THR A 65 9.841 3.078 -5.087 1.00 24.34 C ATOM 1040 C THR A 65 8.702 2.408 -5.852 1.00 43.03 C ATOM 1041 O THR A 65 8.425 1.226 -5.654 1.00 10.41 O ATOM 1042 CB THR A 65 11.173 2.465 -5.526 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.219 2.975 -4.712 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.442 2.819 -6.989 1.00 44.02 C ATOM 0 H THR A 65 9.869 1.983 -3.290 1.00 41.52 H new ATOM 0 HA THR A 65 9.823 4.144 -5.313 1.00 24.34 H new ATOM 0 HB THR A 65 11.127 1.381 -5.420 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.072 2.582 -4.991 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.391 2.382 -7.301 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.639 2.425 -7.612 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.488 3.902 -7.099 1.00 44.02 H new ATOM 1052 N PHE A 66 8.051 3.169 -6.739 1.00 12.55 N ATOM 1053 CA PHE A 66 6.953 2.646 -7.543 1.00 53.42 C ATOM 1054 C PHE A 66 7.323 2.744 -9.019 1.00 14.12 C ATOM 1055 O PHE A 66 7.838 3.769 -9.463 1.00 11.14 O ATOM 1056 CB PHE A 66 5.691 3.478 -7.283 1.00 20.52 C ATOM 1057 CG PHE A 66 5.013 3.014 -6.018 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.571 3.317 -4.772 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.818 2.289 -6.091 1.00 51.21 C ATOM 1060 CE1 PHE A 66 4.934 2.893 -3.600 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.185 1.864 -4.921 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.743 2.167 -3.676 1.00 21.23 C ATOM 0 H PHE A 66 8.270 4.150 -6.915 1.00 12.55 H new ATOM 0 HA PHE A 66 6.767 1.606 -7.277 1.00 53.42 H new ATOM 0 HB2 PHE A 66 5.953 4.533 -7.198 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.006 3.387 -8.126 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.492 3.877 -4.714 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.385 2.058 -7.053 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.363 3.127 -2.637 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.265 1.302 -4.978 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.253 1.839 -2.771 1.00 21.23 H new ATOM 1072 N LYS A 67 7.074 1.676 -9.776 1.00 4.55 N ATOM 1073 CA LYS A 67 7.407 1.665 -11.203 1.00 22.14 C ATOM 1074 C LYS A 67 6.146 1.561 -12.050 1.00 51.00 C ATOM 1075 O LYS A 67 5.169 0.929 -11.654 1.00 74.14 O ATOM 1076 CB LYS A 67 8.307 0.472 -11.521 1.00 64.21 C ATOM 1077 CG LYS A 67 9.635 0.594 -10.764 1.00 74.21 C ATOM 1078 CD LYS A 67 10.712 -0.192 -11.510 1.00 73.23 C ATOM 1079 CE LYS A 67 11.954 -0.329 -10.627 1.00 12.53 C ATOM 1080 NZ LYS A 67 12.950 -1.207 -11.303 1.00 31.10 N ATOM 0 H LYS A 67 6.648 0.816 -9.432 1.00 4.55 H new ATOM 0 HA LYS A 67 7.923 2.597 -11.435 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.806 -0.455 -11.243 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.494 0.424 -12.594 1.00 64.21 H new ATOM 0 HG2 LYS A 67 9.925 1.641 -10.680 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.526 0.211 -9.749 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.335 -1.178 -11.780 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.969 0.316 -12.439 1.00 73.23 H new ATOM 0 HE2 LYS A 67 12.388 0.653 -10.437 1.00 12.53 H new ATOM 0 HE3 LYS A 67 11.681 -0.749 -9.659 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 13.794 -1.300 -10.703 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 12.533 -2.146 -11.462 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 13.219 -0.788 -12.216 1.00 31.10 H new ATOM 1094 N LYS A 68 6.170 2.204 -13.213 1.00 42.54 N ATOM 1095 CA LYS A 68 5.011 2.191 -14.102 1.00 11.20 C ATOM 1096 C LYS A 68 4.799 0.805 -14.703 1.00 14.51 C ATOM 1097 O LYS A 68 5.705 0.233 -15.309 1.00 52.12 O ATOM 1098 CB LYS A 68 5.196 3.217 -15.228 1.00 72.34 C ATOM 1099 CG LYS A 68 3.827 3.667 -15.750 1.00 60.01 C ATOM 1100 CD LYS A 68 4.019 4.636 -16.918 1.00 21.14 C ATOM 1101 CE LYS A 68 2.670 5.250 -17.300 1.00 14.22 C ATOM 1102 NZ LYS A 68 2.141 6.039 -16.150 1.00 41.20 N ATOM 0 H LYS A 68 6.969 2.735 -13.560 1.00 42.54 H new ATOM 0 HA LYS A 68 4.132 2.453 -13.513 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.756 4.077 -14.861 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.779 2.780 -16.039 1.00 72.34 H new ATOM 0 HG2 LYS A 68 3.247 2.802 -16.073 1.00 60.01 H new ATOM 0 HG3 LYS A 68 3.263 4.150 -14.952 1.00 60.01 H new ATOM 0 HD2 LYS A 68 4.722 5.421 -16.641 1.00 21.14 H new ATOM 0 HD3 LYS A 68 4.447 4.112 -17.773 1.00 21.14 H new ATOM 0 HE2 LYS A 68 2.784 5.892 -18.174 1.00 14.22 H new ATOM 0 HE3 LYS A 68 1.965 4.465 -17.572 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 1.843 6.979 -16.481 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 1.326 5.544 -15.735 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 2.884 6.145 -15.431 1.00 41.20 H new ATOM 1116 N THR A 69 3.590 0.276 -14.533 1.00 33.34 N ATOM 1117 CA THR A 69 3.247 -1.043 -15.063 1.00 0.52 C ATOM 1118 C THR A 69 1.960 -0.963 -15.875 1.00 24.32 C ATOM 1119 O THR A 69 1.282 0.065 -15.880 1.00 12.35 O ATOM 1120 CB THR A 69 3.064 -2.033 -13.912 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.631 -3.284 -14.430 1.00 33.32 O ATOM 1122 CG2 THR A 69 2.018 -1.493 -12.935 1.00 43.53 C ATOM 0 H THR A 69 2.831 0.739 -14.033 1.00 33.34 H new ATOM 0 HA THR A 69 4.056 -1.384 -15.709 1.00 0.52 H new ATOM 0 HB THR A 69 4.012 -2.164 -13.390 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.515 -3.920 -13.694 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.888 -2.199 -12.115 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.351 -0.534 -12.539 1.00 43.53 H new ATOM 0 HG23 THR A 69 1.069 -1.361 -13.454 1.00 43.53 H new ATOM 1130 N SER A 70 1.623 -2.055 -16.556 1.00 73.34 N ATOM 1131 CA SER A 70 0.407 -2.098 -17.364 1.00 21.14 C ATOM 1132 C SER A 70 -0.720 -2.761 -16.588 1.00 62.34 C ATOM 1133 O SER A 70 -1.805 -2.990 -17.123 1.00 33.02 O ATOM 1134 CB SER A 70 0.665 -2.870 -18.658 1.00 1.13 C ATOM 1135 OG SER A 70 -0.578 -3.207 -19.259 1.00 23.12 O ATOM 0 H SER A 70 2.170 -2.916 -16.565 1.00 73.34 H new ATOM 0 HA SER A 70 0.115 -1.076 -17.607 1.00 21.14 H new ATOM 0 HB2 SER A 70 1.261 -2.267 -19.342 1.00 1.13 H new ATOM 0 HB3 SER A 70 1.238 -3.773 -18.448 1.00 1.13 H new ATOM 0 HG SER A 70 -1.309 -2.798 -18.750 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.436 -3.080 -15.327 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.400 -3.742 -14.441 1.00 64.20 C ATOM 1143 C ASP A 71 -2.843 -3.545 -14.897 1.00 33.31 C ATOM 1144 O ASP A 71 -3.613 -4.505 -14.948 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.246 -3.210 -13.015 1.00 73.54 C ATOM 1146 CG ASP A 71 -1.985 -4.120 -12.039 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -3.167 -3.898 -11.833 1.00 12.33 O ATOM 1148 OD2 ASP A 71 -1.359 -5.025 -11.512 1.00 13.14 O ATOM 0 H ASP A 71 0.465 -2.889 -14.889 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.184 -4.810 -14.475 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.190 -3.158 -12.749 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.641 -2.196 -12.951 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.214 -2.311 -15.235 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.573 -2.035 -15.685 1.00 32.43 C ATOM 1155 C ASP A 72 -4.702 -0.581 -16.116 1.00 74.41 C ATOM 1156 O ASP A 72 -5.114 0.280 -15.338 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.572 -2.333 -14.567 1.00 3.42 C ATOM 1158 CG ASP A 72 -6.968 -1.871 -14.969 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -7.155 -1.559 -16.135 1.00 4.42 O ATOM 1160 OD2 ASP A 72 -7.831 -1.835 -14.107 1.00 4.41 O ATOM 0 H ASP A 72 -2.600 -1.497 -15.206 1.00 44.42 H new ATOM 0 HA ASP A 72 -4.791 -2.678 -16.537 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.582 -3.402 -14.354 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -5.264 -1.829 -13.651 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.350 -0.321 -17.366 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.427 1.029 -17.911 1.00 13.45 C ATOM 1167 C GLY A 73 -3.224 1.867 -17.487 1.00 4.30 C ATOM 1168 O GLY A 73 -2.123 1.703 -18.013 1.00 13.04 O ATOM 0 H GLY A 73 -4.009 -1.024 -18.022 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.475 0.982 -18.999 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.345 1.509 -17.572 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.442 2.754 -16.518 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.372 3.611 -15.999 1.00 24.41 C ATOM 1174 C GLU A 74 -2.222 3.405 -14.496 1.00 21.41 C ATOM 1175 O GLU A 74 -2.910 4.054 -13.708 1.00 30.23 O ATOM 1176 CB GLU A 74 -2.695 5.080 -16.281 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.666 5.330 -17.790 1.00 32.41 C ATOM 1178 CD GLU A 74 -2.923 6.804 -18.079 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -3.212 7.529 -17.141 1.00 13.01 O ATOM 1180 OE2 GLU A 74 -2.828 7.188 -19.234 1.00 33.22 O ATOM 0 H GLU A 74 -4.349 2.900 -16.075 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.438 3.345 -16.495 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -3.677 5.331 -15.879 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -1.972 5.725 -15.781 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -1.699 5.034 -18.197 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -3.421 4.717 -18.283 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.346 2.487 -14.096 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.148 2.195 -12.677 1.00 74.13 C ATOM 1189 C VAL A 75 0.331 2.082 -12.329 1.00 54.35 C ATOM 1190 O VAL A 75 1.148 1.680 -13.159 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.851 0.891 -12.305 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.738 0.661 -10.789 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.327 0.974 -12.719 1.00 23.10 C ATOM 0 H VAL A 75 -0.765 1.936 -14.728 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.574 3.023 -12.110 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.380 0.057 -12.825 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.240 -0.270 -10.524 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.687 0.599 -10.508 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.207 1.490 -10.259 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.832 0.045 -12.455 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.804 1.806 -12.201 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.395 1.130 -13.796 1.00 23.10 H new ATOM 1203 N TYR A 76 0.662 2.421 -11.084 1.00 20.31 N ATOM 1204 CA TYR A 76 2.042 2.340 -10.607 1.00 54.31 C ATOM 1205 C TYR A 76 2.125 1.258 -9.531 1.00 3.43 C ATOM 1206 O TYR A 76 1.134 0.974 -8.863 1.00 71.11 O ATOM 1207 CB TYR A 76 2.471 3.695 -10.046 1.00 25.33 C ATOM 1208 CG TYR A 76 2.170 4.763 -11.071 1.00 1.12 C ATOM 1209 CD1 TYR A 76 0.880 5.297 -11.167 1.00 11.12 C ATOM 1210 CD2 TYR A 76 3.179 5.211 -11.932 1.00 73.11 C ATOM 1211 CE1 TYR A 76 0.599 6.282 -12.122 1.00 72.52 C ATOM 1212 CE2 TYR A 76 2.897 6.195 -12.888 1.00 11.35 C ATOM 1213 CZ TYR A 76 1.608 6.730 -12.982 1.00 4.34 C ATOM 1214 OH TYR A 76 1.330 7.699 -13.925 1.00 23.33 O ATOM 0 H TYR A 76 -0.005 2.754 -10.388 1.00 20.31 H new ATOM 0 HA TYR A 76 2.712 2.082 -11.427 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.941 3.904 -9.117 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.535 3.686 -9.811 1.00 25.33 H new ATOM 0 HD1 TYR A 76 0.101 4.949 -10.505 1.00 11.12 H new ATOM 0 HD2 TYR A 76 4.174 4.798 -11.859 1.00 73.11 H new ATOM 0 HE1 TYR A 76 -0.396 6.696 -12.195 1.00 72.52 H new ATOM 0 HE2 TYR A 76 3.675 6.541 -13.553 1.00 11.35 H new ATOM 0 HH TYR A 76 2.169 8.067 -14.273 1.00 23.33 H new ATOM 1224 N TYR A 77 3.301 0.651 -9.365 1.00 13.23 N ATOM 1225 CA TYR A 77 3.454 -0.406 -8.360 1.00 64.31 C ATOM 1226 C TYR A 77 4.896 -0.555 -7.876 1.00 23.13 C ATOM 1227 O TYR A 77 5.835 -0.493 -8.669 1.00 24.02 O ATOM 1228 CB TYR A 77 2.954 -1.743 -8.941 1.00 54.32 C ATOM 1229 CG TYR A 77 4.092 -2.501 -9.595 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.622 -2.056 -10.811 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.616 -3.646 -8.980 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.675 -2.756 -11.413 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.669 -4.345 -9.583 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.199 -3.900 -10.799 1.00 23.33 C ATOM 1235 OH TYR A 77 7.236 -4.589 -11.393 1.00 34.21 O ATOM 0 H TYR A 77 4.144 0.865 -9.898 1.00 13.23 H new ATOM 0 HA TYR A 77 2.856 -0.122 -7.494 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.515 -2.349 -8.148 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.167 -1.556 -9.672 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.219 -1.173 -11.285 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.208 -3.989 -8.041 1.00 72.44 H new ATOM 0 HE1 TYR A 77 6.083 -2.413 -12.352 1.00 15.25 H new ATOM 0 HE2 TYR A 77 6.072 -5.228 -9.109 1.00 14.12 H new ATOM 0 HH TYR A 77 7.480 -5.357 -10.835 1.00 34.21 H new ATOM 1245 N SER A 78 5.061 -0.792 -6.574 1.00 34.12 N ATOM 1246 CA SER A 78 6.386 -0.995 -5.997 1.00 44.32 C ATOM 1247 C SER A 78 6.623 -2.491 -5.798 1.00 31.35 C ATOM 1248 O SER A 78 6.088 -3.098 -4.869 1.00 51.51 O ATOM 1249 CB SER A 78 6.484 -0.276 -4.651 1.00 72.53 C ATOM 1250 OG SER A 78 7.791 -0.452 -4.118 1.00 63.21 O ATOM 0 H SER A 78 4.295 -0.848 -5.903 1.00 34.12 H new ATOM 0 HA SER A 78 7.141 -0.590 -6.671 1.00 44.32 H new ATOM 0 HB2 SER A 78 6.270 0.785 -4.776 1.00 72.53 H new ATOM 0 HB3 SER A 78 5.740 -0.672 -3.959 1.00 72.53 H new ATOM 0 HG SER A 78 8.358 0.301 -4.386 1.00 63.21 H new ATOM 1256 N GLU A 79 7.405 -3.081 -6.692 1.00 62.43 N ATOM 1257 CA GLU A 79 7.690 -4.513 -6.634 1.00 61.20 C ATOM 1258 C GLU A 79 8.278 -4.923 -5.284 1.00 63.04 C ATOM 1259 O GLU A 79 7.974 -5.999 -4.769 1.00 34.22 O ATOM 1260 CB GLU A 79 8.669 -4.887 -7.751 1.00 63.42 C ATOM 1261 CG GLU A 79 8.727 -6.411 -7.911 1.00 51.11 C ATOM 1262 CD GLU A 79 9.521 -7.031 -6.764 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.313 -6.323 -6.167 1.00 14.04 O ATOM 1264 OE2 GLU A 79 9.324 -8.206 -6.503 1.00 33.42 O ATOM 0 H GLU A 79 7.854 -2.593 -7.467 1.00 62.43 H new ATOM 0 HA GLU A 79 6.747 -5.045 -6.764 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.357 -4.427 -8.688 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.661 -4.499 -7.521 1.00 63.42 H new ATOM 0 HG2 GLU A 79 7.717 -6.821 -7.927 1.00 51.11 H new ATOM 0 HG3 GLU A 79 9.190 -6.667 -8.864 1.00 51.11 H new ATOM 1271 N GLU A 80 9.135 -4.077 -4.727 1.00 52.34 N ATOM 1272 CA GLU A 80 9.776 -4.384 -3.451 1.00 52.25 C ATOM 1273 C GLU A 80 8.801 -4.293 -2.277 1.00 12.04 C ATOM 1274 O GLU A 80 8.941 -5.020 -1.293 1.00 24.00 O ATOM 1275 CB GLU A 80 10.943 -3.422 -3.216 1.00 55.45 C ATOM 1276 CG GLU A 80 10.408 -1.997 -3.060 1.00 30.33 C ATOM 1277 CD GLU A 80 11.566 -1.005 -3.050 1.00 21.44 C ATOM 1278 OE1 GLU A 80 12.702 -1.450 -3.051 1.00 35.03 O ATOM 1279 OE2 GLU A 80 11.300 0.186 -3.041 1.00 63.24 O ATOM 0 H GLU A 80 9.402 -3.180 -5.133 1.00 52.34 H new ATOM 0 HA GLU A 80 10.135 -5.412 -3.506 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.495 -3.714 -2.322 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.641 -3.470 -4.052 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.726 -1.764 -3.877 1.00 30.33 H new ATOM 0 HG3 GLU A 80 9.838 -1.913 -2.135 1.00 30.33 H new ATOM 1286 N ALA A 81 7.830 -3.386 -2.366 1.00 65.34 N ATOM 1287 CA ALA A 81 6.860 -3.204 -1.281 1.00 42.10 C ATOM 1288 C ALA A 81 5.502 -3.820 -1.615 1.00 0.31 C ATOM 1289 O ALA A 81 4.533 -3.612 -0.885 1.00 12.34 O ATOM 1290 CB ALA A 81 6.682 -1.711 -0.996 1.00 60.53 C ATOM 0 H ALA A 81 7.692 -2.771 -3.168 1.00 65.34 H new ATOM 0 HA ALA A 81 7.252 -3.715 -0.401 1.00 42.10 H new ATOM 0 HB1 ALA A 81 5.961 -1.578 -0.190 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.639 -1.280 -0.702 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.319 -1.210 -1.893 1.00 60.53 H new ATOM 1296 N LYS A 82 5.431 -4.577 -2.711 1.00 21.31 N ATOM 1297 CA LYS A 82 4.171 -5.212 -3.115 1.00 52.21 C ATOM 1298 C LYS A 82 2.989 -4.299 -2.798 1.00 44.35 C ATOM 1299 O LYS A 82 2.094 -4.656 -2.026 1.00 2.02 O ATOM 1300 CB LYS A 82 4.000 -6.548 -2.389 1.00 74.04 C ATOM 1301 CG LYS A 82 5.117 -7.505 -2.811 1.00 42.22 C ATOM 1302 CD LYS A 82 4.760 -8.934 -2.387 1.00 33.13 C ATOM 1303 CE LYS A 82 4.637 -9.010 -0.863 1.00 64.01 C ATOM 1304 NZ LYS A 82 5.784 -8.298 -0.231 1.00 52.33 N ATOM 0 H LYS A 82 6.220 -4.765 -3.330 1.00 21.31 H new ATOM 0 HA LYS A 82 4.202 -5.389 -4.190 1.00 52.21 H new ATOM 0 HB2 LYS A 82 4.027 -6.394 -1.310 1.00 74.04 H new ATOM 0 HB3 LYS A 82 3.028 -6.980 -2.625 1.00 74.04 H new ATOM 0 HG2 LYS A 82 5.259 -7.460 -3.891 1.00 42.22 H new ATOM 0 HG3 LYS A 82 6.059 -7.204 -2.353 1.00 42.22 H new ATOM 0 HD2 LYS A 82 3.822 -9.237 -2.852 1.00 33.13 H new ATOM 0 HD3 LYS A 82 5.526 -9.628 -2.734 1.00 33.13 H new ATOM 0 HE2 LYS A 82 3.697 -8.562 -0.541 1.00 64.01 H new ATOM 0 HE3 LYS A 82 4.621 -10.051 -0.541 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 5.907 -8.635 0.745 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 6.651 -8.486 -0.774 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 5.596 -7.275 -0.223 1.00 52.33 H new ATOM 1318 N LYS A 83 3.005 -3.120 -3.411 1.00 4.20 N ATOM 1319 CA LYS A 83 1.951 -2.128 -3.207 1.00 70.41 C ATOM 1320 C LYS A 83 1.632 -1.413 -4.515 1.00 2.53 C ATOM 1321 O LYS A 83 2.531 -0.960 -5.223 1.00 64.44 O ATOM 1322 CB LYS A 83 2.401 -1.110 -2.158 1.00 33.14 C ATOM 1323 CG LYS A 83 1.325 -0.036 -1.984 1.00 34.14 C ATOM 1324 CD LYS A 83 1.654 0.827 -0.759 1.00 35.04 C ATOM 1325 CE LYS A 83 0.937 2.176 -0.867 1.00 11.14 C ATOM 1326 NZ LYS A 83 0.857 2.807 0.481 1.00 33.21 N ATOM 0 H LYS A 83 3.738 -2.826 -4.056 1.00 4.20 H new ATOM 0 HA LYS A 83 1.052 -2.637 -2.859 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.585 -1.611 -1.207 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.341 -0.650 -2.464 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.271 0.587 -2.877 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.348 -0.502 -1.861 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.347 0.313 0.152 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.731 0.982 -0.690 1.00 35.04 H new ATOM 0 HE2 LYS A 83 1.472 2.830 -1.555 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -0.064 2.036 -1.274 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -0.079 3.243 0.605 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 1.001 2.082 1.213 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.593 3.537 0.567 1.00 33.21 H new ATOM 1340 N LYS A 84 0.344 -1.356 -4.848 1.00 61.33 N ATOM 1341 CA LYS A 84 -0.097 -0.732 -6.098 1.00 15.13 C ATOM 1342 C LYS A 84 -1.129 0.356 -5.855 1.00 33.04 C ATOM 1343 O LYS A 84 -2.089 0.163 -5.108 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.700 -1.817 -6.996 1.00 63.23 C ATOM 1345 CG LYS A 84 -0.850 -1.299 -8.423 1.00 1.24 C ATOM 1346 CD LYS A 84 -1.475 -2.391 -9.300 1.00 22.24 C ATOM 1347 CE LYS A 84 -2.905 -2.696 -8.831 1.00 73.10 C ATOM 1348 NZ LYS A 84 -2.874 -3.795 -7.826 1.00 24.43 N ATOM 0 H LYS A 84 -0.411 -1.732 -4.274 1.00 61.33 H new ATOM 0 HA LYS A 84 0.765 -0.265 -6.575 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -0.063 -2.701 -6.988 1.00 63.23 H new ATOM 0 HB3 LYS A 84 -1.672 -2.121 -6.608 1.00 63.23 H new ATOM 0 HG2 LYS A 84 -1.476 -0.407 -8.433 1.00 1.24 H new ATOM 0 HG3 LYS A 84 0.123 -1.011 -8.821 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -1.487 -2.068 -10.341 1.00 22.24 H new ATOM 0 HD3 LYS A 84 -0.869 -3.296 -9.254 1.00 22.24 H new ATOM 0 HE2 LYS A 84 -3.355 -1.803 -8.396 1.00 73.10 H new ATOM 0 HE3 LYS A 84 -3.524 -2.983 -9.681 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -3.846 -4.037 -7.546 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -2.415 -4.631 -8.240 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -2.339 -3.485 -6.989 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.942 1.496 -6.527 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.887 2.601 -6.411 1.00 33.14 C ATOM 1364 C VAL A 85 -2.225 3.139 -7.801 1.00 25.24 C ATOM 1365 O VAL A 85 -1.341 3.432 -8.604 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.314 3.695 -5.477 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.465 3.023 -4.396 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.443 4.743 -6.221 1.00 32.55 C ATOM 0 H VAL A 85 -0.153 1.673 -7.149 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.816 2.250 -5.961 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.162 4.230 -5.050 1.00 5.13 H new ATOM 0 HG11 VAL A 85 -0.055 3.783 -3.731 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -1.085 2.335 -3.822 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.351 2.472 -4.864 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.073 5.480 -5.509 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.401 4.243 -6.697 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -1.044 5.242 -6.981 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.530 3.208 -8.087 1.00 74.44 N ATOM 1379 CA GLU A 86 -4.011 3.648 -9.400 1.00 64.25 C ATOM 1380 C GLU A 86 -4.948 4.836 -9.285 1.00 40.21 C ATOM 1381 O GLU A 86 -5.832 4.867 -8.429 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.766 2.503 -10.080 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.893 2.018 -9.165 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.500 0.736 -9.724 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -6.238 0.433 -10.877 1.00 42.40 O ATOM 1386 OE2 GLU A 86 -7.220 0.076 -8.993 1.00 20.02 O ATOM 0 H GLU A 86 -4.270 2.965 -7.428 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.141 3.943 -9.986 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.176 2.839 -11.032 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.083 1.682 -10.299 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.507 1.840 -8.161 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.661 2.787 -9.080 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.750 5.812 -10.161 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.587 6.999 -10.150 1.00 71.31 C ATOM 1395 C VAL A 87 -7.063 6.625 -10.303 1.00 43.10 C ATOM 1396 O VAL A 87 -7.566 6.454 -11.413 1.00 5.40 O ATOM 1397 CB VAL A 87 -5.154 7.938 -11.288 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.827 7.110 -12.534 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.277 8.942 -11.616 1.00 45.42 C ATOM 0 H VAL A 87 -4.026 5.805 -10.879 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.467 7.508 -9.194 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.271 8.493 -10.971 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.520 7.774 -13.342 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -4.018 6.416 -12.307 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.710 6.550 -12.841 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.953 9.599 -12.424 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -7.171 8.400 -11.925 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.502 9.538 -10.732 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.749 6.532 -9.170 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.174 6.213 -9.154 1.00 14.04 C ATOM 1411 C LEU A 88 -9.949 7.521 -9.269 1.00 60.34 C ATOM 1412 O LEU A 88 -11.122 7.558 -9.638 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.527 5.483 -7.843 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.641 4.445 -8.068 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.871 5.127 -8.671 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.151 3.323 -9.004 1.00 14.00 C ATOM 0 H LEU A 88 -7.341 6.673 -8.246 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.433 5.557 -9.985 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.639 4.988 -7.448 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -9.847 6.208 -7.095 1.00 42.12 H new ATOM 0 HG LEU A 88 -10.908 4.005 -7.107 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.656 4.388 -8.828 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.230 5.898 -7.990 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.604 5.581 -9.625 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.951 2.598 -9.152 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.865 3.750 -9.965 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.290 2.827 -8.557 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.238 8.592 -8.961 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.758 9.947 -9.017 1.00 52.10 C ATOM 1430 C ASP A 89 -8.628 10.863 -8.565 1.00 22.01 C ATOM 1431 O ASP A 89 -8.103 10.700 -7.464 1.00 32.14 O ATOM 1432 CB ASP A 89 -10.985 10.108 -8.099 1.00 0.24 C ATOM 1433 CG ASP A 89 -12.020 11.024 -8.749 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -11.624 11.871 -9.532 1.00 22.13 O ATOM 1435 OD2 ASP A 89 -13.193 10.863 -8.454 1.00 3.45 O ATOM 0 H ASP A 89 -8.265 8.543 -8.659 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.087 10.193 -10.027 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.428 9.132 -7.899 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.677 10.521 -7.138 1.00 0.24 H new ATOM 1440 N THR A 90 -8.222 11.798 -9.413 1.00 61.52 N ATOM 1441 CA THR A 90 -7.116 12.679 -9.055 1.00 2.42 C ATOM 1442 C THR A 90 -7.298 14.068 -9.665 1.00 13.23 C ATOM 1443 O THR A 90 -7.431 14.220 -10.879 1.00 1.21 O ATOM 1444 CB THR A 90 -5.792 12.016 -9.506 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.742 12.300 -8.583 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.389 12.501 -10.903 1.00 23.33 C ATOM 0 H THR A 90 -8.630 11.965 -10.333 1.00 61.52 H new ATOM 0 HA THR A 90 -7.091 12.821 -7.975 1.00 2.42 H new ATOM 0 HB THR A 90 -5.956 10.939 -9.537 1.00 74.32 H new ATOM 0 HG1 THR A 90 -3.912 12.473 -9.075 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.456 12.022 -11.199 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.171 12.244 -11.617 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.253 13.582 -10.887 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.287 15.076 -8.802 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.432 16.458 -9.242 1.00 21.22 C ATOM 1456 C ASP A 91 -6.063 17.025 -9.575 1.00 33.12 C ATOM 1457 O ASP A 91 -5.929 17.934 -10.393 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.074 17.293 -8.138 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.471 18.661 -8.682 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -7.979 19.022 -9.739 1.00 24.44 O ATOM 1461 OD2 ASP A 91 -9.261 19.328 -8.035 1.00 51.45 O ATOM 0 H ASP A 91 -7.179 14.963 -7.794 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.068 16.488 -10.126 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -8.952 16.779 -7.746 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.377 17.411 -7.308 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.045 16.460 -8.936 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.672 16.883 -9.161 1.00 12.11 C ATOM 1468 C TYR A 92 -3.492 18.368 -8.858 1.00 0.24 C ATOM 1469 O TYR A 92 -2.511 18.971 -9.294 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.277 16.592 -10.627 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.302 15.434 -10.692 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.555 14.262 -9.967 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.147 15.533 -11.477 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.655 13.193 -10.028 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.247 14.464 -11.537 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.501 13.295 -10.812 1.00 41.01 C ATOM 1477 OH TYR A 92 0.389 12.245 -10.870 1.00 3.13 O ATOM 0 H TYR A 92 -5.147 15.706 -8.257 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.025 16.323 -8.486 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.168 16.359 -11.211 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -2.827 17.480 -11.072 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.445 14.184 -9.361 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -0.951 16.436 -12.037 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.851 12.289 -9.470 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.644 14.541 -12.143 1.00 15.14 H new ATOM 0 HH TYR A 92 1.135 12.481 -11.460 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.424 18.972 -8.118 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.309 20.390 -7.799 1.00 2.32 C ATOM 1489 C LYS A 93 -5.046 20.718 -6.501 1.00 43.41 C ATOM 1490 O LYS A 93 -4.638 21.609 -5.756 1.00 54.34 O ATOM 1491 CB LYS A 93 -4.905 21.220 -8.935 1.00 54.15 C ATOM 1492 CG LYS A 93 -4.472 22.680 -8.787 1.00 14.21 C ATOM 1493 CD LYS A 93 -5.211 23.539 -9.814 1.00 4.50 C ATOM 1494 CE LYS A 93 -4.840 25.010 -9.614 1.00 33.33 C ATOM 1495 NZ LYS A 93 -5.810 25.872 -10.346 1.00 22.14 N ATOM 0 H LYS A 93 -5.250 18.510 -7.737 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.253 20.628 -7.674 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -4.575 20.828 -9.897 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -5.993 21.149 -8.918 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -4.688 23.034 -7.779 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -3.395 22.767 -8.932 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -4.950 23.222 -10.824 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -6.288 23.407 -9.706 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -4.847 25.257 -8.552 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -3.829 25.193 -9.977 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -5.558 26.872 -10.210 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -5.782 25.643 -11.360 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -6.769 25.704 -9.980 1.00 22.14 H new ATOM 1509 N SER A 94 -6.144 20.003 -6.243 1.00 53.35 N ATOM 1510 CA SER A 94 -6.946 20.239 -5.038 1.00 43.51 C ATOM 1511 C SER A 94 -6.981 19.004 -4.138 1.00 32.43 C ATOM 1512 O SER A 94 -6.560 19.059 -2.983 1.00 70.12 O ATOM 1513 CB SER A 94 -8.373 20.614 -5.435 1.00 31.12 C ATOM 1514 OG SER A 94 -8.332 21.536 -6.516 1.00 62.14 O ATOM 0 H SER A 94 -6.497 19.261 -6.847 1.00 53.35 H new ATOM 0 HA SER A 94 -6.484 21.055 -4.482 1.00 43.51 H new ATOM 0 HB2 SER A 94 -8.929 19.722 -5.724 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.895 21.054 -4.586 1.00 31.12 H new ATOM 0 HG SER A 94 -8.622 21.089 -7.338 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.489 17.894 -4.668 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.578 16.658 -3.895 1.00 5.52 C ATOM 1522 C TYR A 95 -7.611 15.454 -4.828 1.00 54.54 C ATOM 1523 O TYR A 95 -7.926 15.588 -6.009 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.845 16.676 -3.043 1.00 44.14 C ATOM 1525 CG TYR A 95 -10.008 17.120 -3.897 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.742 16.177 -4.627 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.351 18.477 -3.964 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.818 16.590 -5.423 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.426 18.889 -4.760 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.159 17.946 -5.489 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.220 18.352 -6.274 1.00 65.12 O ATOM 0 H TYR A 95 -7.843 17.825 -5.622 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.703 16.583 -3.249 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -9.037 15.684 -2.633 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.720 17.352 -2.197 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.478 15.131 -4.576 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -9.786 19.205 -3.401 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.384 15.863 -5.986 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.690 19.935 -4.812 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.323 19.324 -6.207 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.279 14.275 -4.302 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.276 13.069 -5.127 1.00 22.30 C ATOM 1543 C ALA A 96 -7.669 11.832 -4.329 1.00 13.33 C ATOM 1544 O ALA A 96 -7.284 11.670 -3.171 1.00 32.15 O ATOM 1545 CB ALA A 96 -5.882 12.854 -5.727 1.00 34.42 C ATOM 0 H ALA A 96 -7.014 14.131 -3.328 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.013 13.213 -5.917 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -5.885 11.954 -6.341 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.615 13.713 -6.343 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.153 12.743 -4.924 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.417 10.945 -4.984 1.00 41.15 N ATOM 1552 CA VAL A 97 -8.847 9.688 -4.370 1.00 53.33 C ATOM 1553 C VAL A 97 -8.248 8.551 -5.180 1.00 34.43 C ATOM 1554 O VAL A 97 -8.458 8.472 -6.390 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.381 9.587 -4.361 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -10.845 8.640 -3.245 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -10.980 10.979 -4.132 1.00 45.23 C ATOM 0 H VAL A 97 -8.739 11.074 -5.943 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.508 9.639 -3.335 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.717 9.193 -5.320 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -11.933 8.578 -3.250 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.424 7.648 -3.411 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.508 9.021 -2.281 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.068 10.910 -4.125 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.635 11.371 -3.175 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.664 11.647 -4.933 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.452 7.706 -4.533 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.773 6.624 -5.237 1.00 32.23 C ATOM 1569 C ILE A 98 -7.008 5.276 -4.566 1.00 22.44 C ATOM 1570 O ILE A 98 -7.183 5.191 -3.350 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.277 6.937 -5.245 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.079 8.426 -5.582 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.559 6.073 -6.285 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.601 8.792 -5.472 1.00 53.14 C ATOM 0 H ILE A 98 -7.262 7.748 -3.532 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.169 6.555 -6.250 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.858 6.719 -4.263 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.439 8.631 -6.590 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.667 9.043 -4.902 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.494 6.307 -6.280 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.701 5.020 -6.043 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -4.970 6.277 -7.274 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.469 9.847 -5.712 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.254 8.605 -4.456 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.023 8.186 -6.170 1.00 53.14 H new ATOM 1586 N TYR A 99 -7.017 4.226 -5.381 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.237 2.874 -4.878 1.00 44.33 C ATOM 1588 C TYR A 99 -5.899 2.180 -4.628 1.00 11.43 C ATOM 1589 O TYR A 99 -5.193 1.800 -5.563 1.00 12.40 O ATOM 1590 CB TYR A 99 -8.055 2.074 -5.904 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.824 0.972 -5.213 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -10.116 1.216 -4.733 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.247 -0.295 -5.057 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.833 0.195 -4.099 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -8.964 -1.316 -4.421 1.00 21.51 C ATOM 1596 CZ TYR A 99 -10.257 -1.071 -3.942 1.00 43.45 C ATOM 1597 OH TYR A 99 -10.965 -2.078 -3.318 1.00 3.02 O ATOM 0 H TYR A 99 -6.875 4.284 -6.389 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.785 2.927 -3.937 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.745 2.737 -6.426 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.391 1.648 -6.656 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.560 2.193 -4.852 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.250 -0.484 -5.427 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.831 0.384 -3.731 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.520 -2.293 -4.300 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.691 -2.945 -3.683 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.559 2.037 -3.349 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.299 1.404 -2.955 1.00 51.13 C ATOM 1609 C ALA A 100 -4.540 -0.030 -2.505 1.00 41.03 C ATOM 1610 O ALA A 100 -5.521 -0.323 -1.823 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.652 2.192 -1.813 1.00 1.40 C ATOM 0 H ALA A 100 -6.136 2.350 -2.568 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.633 1.398 -3.818 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.715 1.714 -1.526 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.453 3.212 -2.142 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.326 2.212 -0.957 1.00 1.40 H new ATOM 1617 N THR A 101 -3.637 -0.923 -2.902 1.00 24.01 N ATOM 1618 CA THR A 101 -3.759 -2.332 -2.544 1.00 73.20 C ATOM 1619 C THR A 101 -2.391 -2.955 -2.284 1.00 43.22 C ATOM 1620 O THR A 101 -1.458 -2.791 -3.070 1.00 4.25 O ATOM 1621 CB THR A 101 -4.462 -3.096 -3.669 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.450 -4.486 -3.376 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.736 -2.849 -4.993 1.00 74.44 C ATOM 0 H THR A 101 -2.819 -0.698 -3.468 1.00 24.01 H new ATOM 0 HA THR A 101 -4.348 -2.398 -1.629 1.00 73.20 H new ATOM 0 HB THR A 101 -5.492 -2.748 -3.752 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.980 -4.655 -2.569 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.239 -3.394 -5.791 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.746 -1.783 -5.220 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.705 -3.193 -4.912 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.295 -3.692 -1.181 1.00 61.03 N ATOM 1632 CA ARG A 102 -1.059 -4.374 -0.808 1.00 5.41 C ATOM 1633 C ARG A 102 -1.338 -5.865 -0.747 1.00 54.23 C ATOM 1634 O ARG A 102 -2.294 -6.281 -0.096 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.577 -3.881 0.557 1.00 60.00 C ATOM 1636 CG ARG A 102 0.850 -4.376 0.807 1.00 14.52 C ATOM 1637 CD ARG A 102 1.262 -4.044 2.242 1.00 72.51 C ATOM 1638 NE ARG A 102 2.698 -4.234 2.411 1.00 20.24 N ATOM 1639 CZ ARG A 102 3.565 -3.318 1.995 1.00 30.11 C ATOM 1640 NH1 ARG A 102 3.137 -2.224 1.425 1.00 54.53 N ATOM 1641 NH2 ARG A 102 4.846 -3.511 2.157 1.00 50.21 N ATOM 0 H ARG A 102 -3.064 -3.833 -0.526 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.282 -4.165 -1.544 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.606 -2.792 0.593 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.241 -4.244 1.341 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.907 -5.452 0.641 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.537 -3.907 0.103 1.00 14.52 H new ATOM 0 HD2 ARG A 102 0.994 -3.014 2.476 1.00 72.51 H new ATOM 0 HD3 ARG A 102 0.719 -4.681 2.940 1.00 72.51 H new ATOM 0 HE ARG A 102 3.042 -5.085 2.856 1.00 20.24 H new ATOM 0 HH11 ARG A 102 2.136 -2.072 1.299 1.00 54.53 H new ATOM 0 HH12 ARG A 102 3.803 -1.521 1.106 1.00 54.53 H new ATOM 0 HH21 ARG A 102 5.181 -4.365 2.603 1.00 50.21 H new ATOM 0 HH22 ARG A 102 5.512 -2.808 1.838 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.543 -6.682 -1.441 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.787 -8.126 -1.444 1.00 22.05 C ATOM 1657 C VAL A 103 0.397 -8.887 -0.864 1.00 4.11 C ATOM 1658 O VAL A 103 1.517 -8.799 -1.369 1.00 23.25 O ATOM 1659 CB VAL A 103 -1.045 -8.592 -2.883 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.171 -8.273 -3.759 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.308 -10.101 -2.905 1.00 62.12 C ATOM 0 H VAL A 103 0.257 -6.378 -1.996 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.658 -8.331 -0.821 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.919 -8.069 -3.272 1.00 35.21 H new ATOM 0 HG11 VAL A 103 -0.018 -8.606 -4.779 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.350 -7.198 -3.756 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.048 -8.788 -3.366 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.490 -10.424 -3.930 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.440 -10.627 -2.508 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -2.181 -10.327 -2.293 1.00 62.12 H new ATOM 1671 N LYS A 104 0.137 -9.642 0.199 1.00 3.15 N ATOM 1672 CA LYS A 104 1.168 -10.436 0.852 1.00 32.13 C ATOM 1673 C LYS A 104 1.020 -11.889 0.418 1.00 22.11 C ATOM 1674 O LYS A 104 0.028 -12.253 -0.213 1.00 10.01 O ATOM 1675 CB LYS A 104 1.030 -10.321 2.376 1.00 14.51 C ATOM 1676 CG LYS A 104 2.368 -10.640 3.051 1.00 2.35 C ATOM 1677 CD LYS A 104 2.233 -10.453 4.563 1.00 64.04 C ATOM 1678 CE LYS A 104 3.614 -10.551 5.215 1.00 0.02 C ATOM 1679 NZ LYS A 104 4.160 -11.924 5.020 1.00 4.41 N ATOM 0 H LYS A 104 -0.785 -9.720 0.627 1.00 3.15 H new ATOM 0 HA LYS A 104 2.154 -10.069 0.566 1.00 32.13 H new ATOM 0 HB2 LYS A 104 0.709 -9.315 2.645 1.00 14.51 H new ATOM 0 HB3 LYS A 104 0.261 -11.007 2.732 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.666 -11.664 2.826 1.00 2.35 H new ATOM 0 HG3 LYS A 104 3.149 -9.987 2.661 1.00 2.35 H new ATOM 0 HD2 LYS A 104 1.784 -9.484 4.782 1.00 64.04 H new ATOM 0 HD3 LYS A 104 1.569 -11.213 4.976 1.00 64.04 H new ATOM 0 HE2 LYS A 104 4.288 -9.815 4.777 1.00 0.02 H new ATOM 0 HE3 LYS A 104 3.542 -10.324 6.279 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 4.994 -12.055 5.627 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 3.434 -12.625 5.272 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 4.433 -12.051 4.025 1.00 4.41 H new ATOM 1693 N ASP A 105 2.004 -12.713 0.737 1.00 4.52 N ATOM 1694 CA ASP A 105 1.946 -14.112 0.345 1.00 33.04 C ATOM 1695 C ASP A 105 0.688 -14.778 0.899 1.00 40.01 C ATOM 1696 O ASP A 105 0.562 -15.004 2.102 1.00 25.42 O ATOM 1697 CB ASP A 105 3.185 -14.851 0.857 1.00 54.53 C ATOM 1698 CG ASP A 105 3.225 -14.816 2.381 1.00 72.43 C ATOM 1699 OD1 ASP A 105 2.520 -14.003 2.955 1.00 31.34 O ATOM 1700 OD2 ASP A 105 3.962 -15.601 2.953 1.00 4.54 O ATOM 0 H ASP A 105 2.839 -12.445 1.257 1.00 4.52 H new ATOM 0 HA ASP A 105 1.917 -14.161 -0.744 1.00 33.04 H new ATOM 0 HB2 ASP A 105 3.171 -15.884 0.510 1.00 54.53 H new ATOM 0 HB3 ASP A 105 4.086 -14.391 0.451 1.00 54.53 H new ATOM 1705 N GLY A 106 -0.227 -15.118 -0.007 1.00 64.04 N ATOM 1706 CA GLY A 106 -1.467 -15.795 0.370 1.00 22.21 C ATOM 1707 C GLY A 106 -2.560 -14.827 0.824 1.00 71.13 C ATOM 1708 O GLY A 106 -3.687 -15.249 1.083 1.00 62.32 O ATOM 0 H GLY A 106 -0.134 -14.936 -1.006 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.831 -16.374 -0.479 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -1.259 -16.502 1.173 1.00 22.21 H new ATOM 1712 N ARG A 107 -2.235 -13.537 0.939 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.226 -12.552 1.387 1.00 30.51 C ATOM 1714 C ARG A 107 -3.267 -11.330 0.471 1.00 45.05 C ATOM 1715 O ARG A 107 -2.232 -10.840 0.022 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.898 -12.105 2.812 1.00 72.11 C ATOM 1717 CG ARG A 107 -2.707 -13.335 3.700 1.00 50.40 C ATOM 1718 CD ARG A 107 -2.413 -12.892 5.134 1.00 41.32 C ATOM 1719 NE ARG A 107 -1.907 -14.015 5.915 1.00 31.44 N ATOM 1720 CZ ARG A 107 -2.693 -15.038 6.236 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -3.940 -15.047 5.854 1.00 52.42 N ATOM 1722 NH2 ARG A 107 -2.217 -16.032 6.936 1.00 73.55 N ATOM 0 H ARG A 107 -1.312 -13.154 0.733 1.00 52.25 H new ATOM 0 HA ARG A 107 -4.205 -13.030 1.356 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -1.993 -11.497 2.815 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -3.702 -11.482 3.203 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -3.603 -13.955 3.677 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -1.887 -13.945 3.322 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -1.682 -12.084 5.130 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -3.320 -12.499 5.594 1.00 41.32 H new ATOM 0 HE ARG A 107 -0.934 -14.015 6.220 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -4.312 -14.269 5.309 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -4.543 -15.832 6.100 1.00 52.42 H new ATOM 0 HH21 ARG A 107 -1.242 -16.024 7.236 1.00 73.55 H new ATOM 0 HH22 ARG A 107 -2.820 -16.817 7.182 1.00 73.55 H new ATOM 1736 N THR A 108 -4.483 -10.836 0.222 1.00 4.34 N ATOM 1737 CA THR A 108 -4.690 -9.656 -0.621 1.00 63.42 C ATOM 1738 C THR A 108 -5.422 -8.583 0.175 1.00 41.25 C ATOM 1739 O THR A 108 -6.192 -8.899 1.083 1.00 23.14 O ATOM 1740 CB THR A 108 -5.514 -10.032 -1.856 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.844 -11.059 -2.574 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.681 -8.805 -2.753 1.00 65.12 C ATOM 0 H THR A 108 -5.343 -11.238 0.595 1.00 4.34 H new ATOM 0 HA THR A 108 -3.722 -9.273 -0.943 1.00 63.42 H new ATOM 0 HB THR A 108 -6.496 -10.387 -1.544 1.00 61.41 H new ATOM 0 HG1 THR A 108 -5.370 -11.303 -3.364 1.00 42.34 H new ATOM 0 HG21 THR A 108 -6.268 -9.074 -3.632 1.00 65.12 H new ATOM 0 HG22 THR A 108 -6.194 -8.018 -2.201 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.700 -8.448 -3.067 1.00 65.12 H new ATOM 1750 N LEU A 109 -5.169 -7.316 -0.144 1.00 43.23 N ATOM 1751 CA LEU A 109 -5.810 -6.223 0.586 1.00 64.43 C ATOM 1752 C LEU A 109 -6.052 -5.019 -0.297 1.00 14.32 C ATOM 1753 O LEU A 109 -5.263 -4.707 -1.187 1.00 21.44 O ATOM 1754 CB LEU A 109 -4.914 -5.807 1.751 1.00 3.33 C ATOM 1755 CG LEU A 109 -5.429 -4.536 2.447 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -6.755 -4.830 3.156 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -4.395 -4.087 3.484 1.00 13.03 C ATOM 0 H LEU A 109 -4.537 -7.023 -0.889 1.00 43.23 H new ATOM 0 HA LEU A 109 -6.775 -6.581 0.943 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -4.859 -6.620 2.475 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -3.901 -5.636 1.387 1.00 3.33 H new ATOM 0 HG LEU A 109 -5.585 -3.753 1.705 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -7.114 -3.925 3.647 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -7.492 -5.163 2.425 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -6.604 -5.611 3.901 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -4.749 -3.186 3.984 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.251 -4.878 4.220 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.448 -3.877 2.986 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.139 -4.323 0.002 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.483 -3.114 -0.719 1.00 62.11 C ATOM 1771 C HIS A 110 -7.884 -2.029 0.275 1.00 21.10 C ATOM 1772 O HIS A 110 -8.444 -2.327 1.330 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.625 -3.379 -1.701 1.00 64.31 C ATOM 1774 CG HIS A 110 -9.684 -4.206 -1.026 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -9.969 -5.506 -1.416 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -10.536 -3.933 0.015 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -10.954 -5.961 -0.621 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -11.337 -5.042 0.268 1.00 62.11 N ATOM 0 H HIS A 110 -7.796 -4.578 0.740 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.615 -2.781 -1.289 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -9.049 -2.436 -2.045 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.248 -3.899 -2.582 1.00 64.31 H new ATOM 0 HD2 HIS A 110 -10.578 -2.999 0.556 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -11.383 -6.950 -0.693 1.00 5.01 H new ATOM 0 HE2 HIS A 110 -12.062 -5.133 0.980 1.00 62.11 H new ATOM 1786 N MET A 111 -7.594 -0.770 -0.050 1.00 60.55 N ATOM 1787 CA MET A 111 -7.933 0.332 0.845 1.00 21.20 C ATOM 1788 C MET A 111 -8.044 1.645 0.073 1.00 44.45 C ATOM 1789 O MET A 111 -7.425 1.810 -0.978 1.00 23.21 O ATOM 1790 CB MET A 111 -6.882 0.459 1.952 1.00 70.05 C ATOM 1791 CG MET A 111 -5.492 0.180 1.379 1.00 54.42 C ATOM 1792 SD MET A 111 -4.237 0.762 2.549 1.00 4.41 S ATOM 1793 CE MET A 111 -3.773 2.280 1.676 1.00 62.20 C ATOM 0 H MET A 111 -7.131 -0.491 -0.915 1.00 60.55 H new ATOM 0 HA MET A 111 -8.901 0.117 1.298 1.00 21.20 H new ATOM 0 HB2 MET A 111 -6.914 1.459 2.383 1.00 70.05 H new ATOM 0 HB3 MET A 111 -7.101 -0.242 2.757 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.369 -0.887 1.196 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.373 0.684 0.420 1.00 54.42 H new ATOM 0 HE1 MET A 111 -3.223 2.935 2.352 1.00 62.20 H new ATOM 0 HE2 MET A 111 -3.145 2.030 0.821 1.00 62.20 H new ATOM 0 HE3 MET A 111 -4.672 2.790 1.329 1.00 62.20 H new ATOM 1803 N MET A 112 -8.830 2.581 0.605 1.00 1.24 N ATOM 1804 CA MET A 112 -9.007 3.882 -0.038 1.00 41.25 C ATOM 1805 C MET A 112 -8.121 4.915 0.649 1.00 62.23 C ATOM 1806 O MET A 112 -8.019 4.933 1.874 1.00 24.34 O ATOM 1807 CB MET A 112 -10.463 4.359 0.083 1.00 1.31 C ATOM 1808 CG MET A 112 -11.446 3.218 -0.181 1.00 72.30 C ATOM 1809 SD MET A 112 -11.537 2.888 -1.961 1.00 21.22 S ATOM 1810 CE MET A 112 -12.433 4.387 -2.451 1.00 60.13 C ATOM 0 H MET A 112 -9.351 2.464 1.474 1.00 1.24 H new ATOM 0 HA MET A 112 -8.741 3.776 -1.090 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.633 4.765 1.080 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.643 5.168 -0.625 1.00 1.31 H new ATOM 0 HG2 MET A 112 -11.127 2.321 0.349 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.433 3.480 0.201 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.242 4.121 -3.132 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.848 4.869 -1.566 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.749 5.073 -2.951 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.480 5.771 -0.139 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.605 6.801 0.421 1.00 61.01 C ATOM 1822 C ARG A 113 -6.977 8.171 -0.130 1.00 42.32 C ATOM 1823 O ARG A 113 -7.121 8.347 -1.341 1.00 50.01 O ATOM 1824 CB ARG A 113 -5.148 6.473 0.071 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.218 7.639 0.473 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.857 8.490 -0.753 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.742 9.372 -0.437 1.00 43.44 N ATOM 1828 CZ ARG A 113 -2.100 10.038 -1.391 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.482 9.928 -2.633 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -1.090 10.806 -1.085 1.00 10.22 N ATOM 0 H ARG A 113 -7.547 5.775 -1.157 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.725 6.821 1.504 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.841 5.562 0.584 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -5.059 6.282 -0.998 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.708 8.261 1.222 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.310 7.246 0.930 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.594 7.843 -1.590 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.720 9.079 -1.064 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.449 9.480 0.534 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.274 9.331 -2.872 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -1.989 10.439 -3.365 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.793 10.895 -0.113 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.598 11.317 -1.818 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.141 9.140 0.772 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.507 10.500 0.385 1.00 33.01 C ATOM 1846 C LEU A 114 -6.416 11.471 0.796 1.00 22.40 C ATOM 1847 O LEU A 114 -5.994 11.498 1.965 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.817 10.891 1.068 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.141 12.374 0.826 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.158 12.664 -0.678 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.518 12.697 1.423 1.00 32.04 C ATOM 0 H LEU A 114 -7.026 9.006 1.777 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.631 10.539 -0.697 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.629 10.271 0.688 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.744 10.701 2.139 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.379 12.991 1.302 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.388 13.717 -0.843 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.181 12.435 -1.104 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -9.917 12.047 -1.159 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.751 13.748 1.253 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.276 12.076 0.946 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.506 12.497 2.494 1.00 32.04 H new ATOM 1863 N TYR A 115 -5.961 12.255 -0.178 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.905 13.232 0.053 1.00 40.14 C ATOM 1865 C TYR A 115 -5.404 14.650 -0.240 1.00 22.21 C ATOM 1866 O TYR A 115 -6.322 14.845 -1.038 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.692 12.870 -0.843 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.467 13.917 -1.919 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.470 14.177 -2.859 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.258 14.622 -1.976 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.265 15.139 -3.856 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.054 15.584 -2.973 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.058 15.843 -3.912 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.857 16.791 -4.894 1.00 75.14 O ATOM 0 H TYR A 115 -6.309 12.231 -1.136 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.602 13.207 1.100 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.797 12.780 -0.228 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.858 11.898 -1.308 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.403 13.635 -2.816 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.483 14.424 -1.251 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.040 15.337 -4.582 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.121 16.126 -3.017 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.537 17.492 -4.816 1.00 75.14 H new ATOM 1884 N SER A 116 -4.774 15.633 0.399 1.00 70.41 N ATOM 1885 CA SER A 116 -5.131 17.038 0.199 1.00 12.03 C ATOM 1886 C SER A 116 -3.924 17.788 -0.349 1.00 55.25 C ATOM 1887 O SER A 116 -2.785 17.468 -0.008 1.00 2.11 O ATOM 1888 CB SER A 116 -5.566 17.669 1.522 1.00 21.23 C ATOM 1889 OG SER A 116 -5.697 19.074 1.351 1.00 45.04 O ATOM 0 H SER A 116 -4.012 15.484 1.061 1.00 70.41 H new ATOM 0 HA SER A 116 -5.959 17.099 -0.508 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.514 17.241 1.848 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.834 17.452 2.300 1.00 21.23 H new ATOM 0 HG SER A 116 -5.410 19.531 2.169 1.00 45.04 H new ATOM 1895 N ARG A 117 -4.161 18.781 -1.199 1.00 43.54 N ATOM 1896 CA ARG A 117 -3.065 19.550 -1.776 1.00 25.41 C ATOM 1897 C ARG A 117 -2.567 20.596 -0.784 1.00 54.24 C ATOM 1898 O ARG A 117 -1.418 21.034 -0.853 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.541 20.235 -3.065 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.345 20.824 -3.833 1.00 15.50 C ATOM 1901 CD ARG A 117 -1.719 19.757 -4.740 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.330 20.095 -5.027 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.600 20.039 -4.079 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.278 19.670 -2.870 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.836 20.351 -4.357 1.00 71.13 N ATOM 0 H ARG A 117 -5.091 19.070 -1.501 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.242 18.874 -2.007 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -4.066 19.516 -3.694 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.251 21.026 -2.823 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.671 21.674 -4.432 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.600 21.196 -3.130 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -1.772 18.781 -4.257 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -2.283 19.683 -5.670 1.00 50.14 H new ATOM 0 HE ARG A 117 -0.068 20.379 -5.971 1.00 63.53 H new ATOM 0 HH11 ARG A 117 -0.688 19.424 -2.652 1.00 72.23 H new ATOM 0 HH12 ARG A 117 0.992 19.627 -2.143 1.00 72.23 H new ATOM 0 HH21 ARG A 117 2.089 20.638 -5.302 1.00 71.13 H new ATOM 0 HH22 ARG A 117 2.549 20.308 -3.629 1.00 71.13 H new ATOM 1919 N SER A 118 -3.437 20.988 0.145 1.00 24.42 N ATOM 1920 CA SER A 118 -3.077 21.984 1.155 1.00 34.12 C ATOM 1921 C SER A 118 -3.279 21.414 2.563 1.00 61.40 C ATOM 1922 O SER A 118 -4.233 20.673 2.801 1.00 0.21 O ATOM 1923 CB SER A 118 -3.951 23.227 0.982 1.00 11.54 C ATOM 1924 OG SER A 118 -3.547 24.221 1.915 1.00 62.22 O ATOM 0 H SER A 118 -4.391 20.634 0.220 1.00 24.42 H new ATOM 0 HA SER A 118 -2.027 22.249 1.027 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.862 23.609 -0.035 1.00 11.54 H new ATOM 0 HB3 SER A 118 -5.000 22.972 1.136 1.00 11.54 H new ATOM 0 HG SER A 118 -4.105 25.019 1.805 1.00 62.22 H new ATOM 1930 N PRO A 119 -2.415 21.741 3.496 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.524 21.247 4.897 1.00 30.02 C ATOM 1932 C PRO A 119 -3.970 21.214 5.390 1.00 14.44 C ATOM 1933 O PRO A 119 -4.294 20.510 6.344 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.697 22.261 5.690 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.651 22.746 4.738 1.00 1.31 C ATOM 1936 CD PRO A 119 -1.237 22.615 3.324 1.00 1.25 C ATOM 0 HA PRO A 119 -2.173 20.220 5.002 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -2.318 23.084 6.045 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -1.246 21.800 6.569 1.00 55.11 H new ATOM 0 HG2 PRO A 119 -0.385 23.781 4.951 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.261 22.157 4.834 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -1.519 23.587 2.919 1.00 1.25 H new ATOM 0 HD3 PRO A 119 -0.515 22.179 2.633 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.832 21.985 4.733 1.00 24.15 N ATOM 1945 CA GLU A 120 -6.235 22.045 5.109 1.00 14.33 C ATOM 1946 C GLU A 120 -7.022 20.941 4.419 1.00 33.04 C ATOM 1947 O GLU A 120 -6.542 20.308 3.478 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.819 23.401 4.717 1.00 72.33 C ATOM 1949 CG GLU A 120 -5.986 24.519 5.347 1.00 42.31 C ATOM 1950 CD GLU A 120 -6.630 25.872 5.066 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -7.562 25.911 4.280 1.00 32.14 O ATOM 1952 OE2 GLU A 120 -6.183 26.850 5.643 1.00 41.25 O ATOM 0 H GLU A 120 -4.581 22.575 3.939 1.00 24.15 H new ATOM 0 HA GLU A 120 -6.308 21.911 6.188 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.826 23.506 3.632 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.854 23.473 5.050 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -5.906 24.362 6.423 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -4.973 24.499 4.946 1.00 42.31 H new ATOM 1959 N VAL A 121 -8.238 20.725 4.899 1.00 32.41 N ATOM 1960 CA VAL A 121 -9.119 19.701 4.339 1.00 31.23 C ATOM 1961 C VAL A 121 -10.378 20.341 3.762 1.00 11.20 C ATOM 1962 O VAL A 121 -11.184 20.915 4.495 1.00 54.50 O ATOM 1963 CB VAL A 121 -9.509 18.702 5.430 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -10.329 17.566 4.817 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -8.242 18.127 6.068 1.00 23.14 C ATOM 0 H VAL A 121 -8.642 21.245 5.678 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.588 19.182 3.541 1.00 31.23 H new ATOM 0 HB VAL A 121 -10.104 19.209 6.189 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -10.606 16.856 5.596 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -11.231 17.974 4.361 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.736 17.058 4.057 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -8.517 17.415 6.846 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.649 17.621 5.306 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.657 18.935 6.507 1.00 23.14 H new ATOM 1975 N SER A 122 -10.542 20.240 2.447 1.00 22.43 N ATOM 1976 CA SER A 122 -11.708 20.814 1.784 1.00 34.13 C ATOM 1977 C SER A 122 -12.920 19.890 1.942 1.00 33.32 C ATOM 1978 O SER A 122 -12.778 18.669 1.899 1.00 72.35 O ATOM 1979 CB SER A 122 -11.414 21.022 0.298 1.00 1.24 C ATOM 1980 OG SER A 122 -11.169 19.762 -0.313 1.00 2.34 O ATOM 0 H SER A 122 -9.887 19.769 1.823 1.00 22.43 H new ATOM 0 HA SER A 122 -11.932 21.775 2.247 1.00 34.13 H new ATOM 0 HB2 SER A 122 -12.257 21.516 -0.186 1.00 1.24 H new ATOM 0 HB3 SER A 122 -10.549 21.673 0.174 1.00 1.24 H new ATOM 0 HG SER A 122 -11.204 19.859 -1.288 1.00 2.34 H new ATOM 1986 N PRO A 123 -14.100 20.437 2.128 1.00 54.42 N ATOM 1987 CA PRO A 123 -15.337 19.618 2.299 1.00 11.10 C ATOM 1988 C PRO A 123 -15.708 18.874 1.018 1.00 22.23 C ATOM 1989 O PRO A 123 -16.280 17.784 1.065 1.00 75.20 O ATOM 1990 CB PRO A 123 -16.412 20.647 2.681 1.00 22.35 C ATOM 1991 CG PRO A 123 -15.917 21.948 2.136 1.00 22.41 C ATOM 1992 CD PRO A 123 -14.390 21.882 2.189 1.00 4.40 C ATOM 0 HA PRO A 123 -15.215 18.838 3.051 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -17.380 20.383 2.254 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -16.544 20.697 3.762 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -16.264 22.099 1.114 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -16.291 22.784 2.727 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -13.937 22.417 1.354 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -14.001 22.330 3.103 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.375 19.467 -0.124 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.673 18.846 -1.410 1.00 54.43 C ATOM 2002 C ALA A 124 -14.826 17.592 -1.600 1.00 24.52 C ATOM 2003 O ALA A 124 -15.308 16.573 -2.093 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.392 19.833 -2.545 1.00 61.51 C ATOM 0 H ALA A 124 -14.903 20.369 -0.186 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.727 18.568 -1.427 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.617 19.361 -3.501 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.017 20.718 -2.421 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.342 20.124 -2.522 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.562 17.678 -1.198 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.650 16.547 -1.321 1.00 32.45 C ATOM 2012 C ALA A 125 -13.116 15.391 -0.446 1.00 51.42 C ATOM 2013 O ALA A 125 -13.039 14.228 -0.838 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.245 16.968 -0.894 1.00 71.13 C ATOM 0 H ALA A 125 -13.148 18.514 -0.786 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.637 16.223 -2.362 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.567 16.120 -0.987 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.899 17.781 -1.532 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.265 17.304 0.143 1.00 71.13 H new ATOM 2020 N THR A 126 -13.614 15.727 0.735 1.00 42.04 N ATOM 2021 CA THR A 126 -14.112 14.717 1.660 1.00 3.13 C ATOM 2022 C THR A 126 -15.462 14.183 1.183 1.00 51.41 C ATOM 2023 O THR A 126 -15.803 13.028 1.428 1.00 54.21 O ATOM 2024 CB THR A 126 -14.229 15.294 3.079 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.193 16.243 3.288 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.108 14.168 4.120 1.00 2.32 C ATOM 0 H THR A 126 -13.684 16.686 1.075 1.00 42.04 H new ATOM 0 HA THR A 126 -13.402 13.890 1.687 1.00 3.13 H new ATOM 0 HB THR A 126 -15.200 15.777 3.189 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.267 16.614 4.192 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.192 14.588 5.122 1.00 2.32 H new ATOM 0 HG22 THR A 126 -14.905 13.441 3.963 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.141 13.676 4.013 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.250 15.037 0.527 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.570 14.638 0.048 1.00 34.13 C ATOM 2036 C ALA A 127 -17.497 13.771 -1.208 1.00 11.24 C ATOM 2037 O ALA A 127 -18.113 12.707 -1.263 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.383 15.883 -0.261 1.00 60.02 C ATOM 0 H ALA A 127 -15.997 16.003 0.317 1.00 65.22 H new ATOM 0 HA ALA A 127 -18.039 14.046 0.834 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.371 15.593 -0.620 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.487 16.483 0.643 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.876 16.468 -1.028 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.729 14.207 -2.211 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.593 13.418 -3.423 1.00 51.22 C ATOM 2046 C ILE A 128 -16.133 12.037 -2.999 1.00 20.04 C ATOM 2047 O ILE A 128 -16.634 11.005 -3.450 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.580 14.104 -4.362 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.868 13.715 -5.810 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.132 13.724 -4.007 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.872 12.191 -5.965 1.00 35.30 C ATOM 0 H ILE A 128 -16.206 15.083 -2.204 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.532 13.334 -3.970 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.689 15.181 -4.238 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.832 14.120 -6.117 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.115 14.151 -6.467 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.446 14.226 -4.690 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.916 14.032 -2.984 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -14.007 12.645 -4.096 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -16.079 11.931 -7.003 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.898 11.794 -5.679 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.642 11.762 -5.323 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.189 12.069 -2.083 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.639 10.865 -1.508 1.00 54.25 C ATOM 2065 C PHE A 129 -15.771 9.956 -1.046 1.00 74.13 C ATOM 2066 O PHE A 129 -15.716 8.735 -1.198 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.781 11.221 -0.310 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.172 9.958 0.223 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -13.900 9.151 1.103 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -11.892 9.584 -0.178 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.338 7.967 1.585 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.328 8.401 0.305 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.051 7.594 1.187 1.00 71.35 C ATOM 0 H PHE A 129 -14.783 12.930 -1.718 1.00 13.41 H new ATOM 0 HA PHE A 129 -14.036 10.355 -2.259 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -13.002 11.927 -0.597 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.383 11.706 0.458 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -14.894 9.443 1.409 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.336 10.208 -0.862 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -13.897 7.340 2.264 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.334 8.111 -0.003 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.615 6.680 1.562 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.790 10.577 -0.460 1.00 22.32 N ATOM 2084 CA ARG A 130 -17.944 9.853 0.057 1.00 74.31 C ATOM 2085 C ARG A 130 -18.770 9.222 -1.066 1.00 62.24 C ATOM 2086 O ARG A 130 -19.252 8.098 -0.933 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.827 10.820 0.855 1.00 71.01 C ATOM 2088 CG ARG A 130 -19.716 10.038 1.824 1.00 0.54 C ATOM 2089 CD ARG A 130 -20.861 10.931 2.304 1.00 74.22 C ATOM 2090 NE ARG A 130 -20.334 12.080 3.034 1.00 34.41 N ATOM 2091 CZ ARG A 130 -19.890 11.956 4.281 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -19.923 10.792 4.871 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -19.424 12.997 4.913 1.00 73.43 N ATOM 0 H ARG A 130 -16.839 11.588 -0.331 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.580 9.049 0.696 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.204 11.523 1.407 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.444 11.407 0.175 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.115 9.151 1.332 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -19.129 9.694 2.675 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -21.448 11.271 1.451 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -21.532 10.360 2.946 1.00 74.22 H new ATOM 0 HE ARG A 130 -20.306 12.993 2.580 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -20.289 9.979 4.375 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -19.583 10.695 5.828 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -19.400 13.906 4.451 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -19.083 12.902 5.870 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.954 9.959 -2.158 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.752 9.463 -3.278 1.00 0.30 C ATOM 2109 C LYS A 131 -19.302 8.070 -3.715 1.00 22.32 C ATOM 2110 O LYS A 131 -20.089 7.124 -3.690 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.637 10.428 -4.460 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.606 10.005 -5.566 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.504 10.985 -6.736 1.00 3.23 C ATOM 2114 CE LYS A 131 -21.429 10.531 -7.866 1.00 41.33 C ATOM 2115 NZ LYS A 131 -20.823 9.360 -8.562 1.00 70.02 N ATOM 0 H LYS A 131 -18.566 10.893 -2.292 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.788 9.397 -2.947 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -19.861 11.444 -4.136 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -18.615 10.433 -4.840 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -20.372 8.995 -5.902 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -21.626 9.985 -5.182 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -20.778 11.988 -6.409 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -19.475 11.036 -7.093 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -22.407 10.264 -7.465 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -21.586 11.346 -8.572 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -21.339 9.177 -9.446 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -19.826 9.562 -8.778 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -20.881 8.523 -7.948 1.00 70.02 H new ATOM 2129 N LEU A 132 -18.044 7.949 -4.121 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.527 6.659 -4.567 1.00 21.42 C ATOM 2131 C LEU A 132 -17.585 5.636 -3.436 1.00 35.51 C ATOM 2132 O LEU A 132 -17.841 4.451 -3.666 1.00 10.52 O ATOM 2133 CB LEU A 132 -16.087 6.800 -5.084 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.235 7.670 -4.128 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.369 6.774 -3.236 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.321 8.596 -4.945 1.00 60.02 C ATOM 0 H LEU A 132 -17.371 8.715 -4.151 1.00 1.15 H new ATOM 0 HA LEU A 132 -18.155 6.307 -5.385 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.635 5.813 -5.183 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -16.096 7.248 -6.078 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.903 8.266 -3.506 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.773 7.394 -2.567 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -15.010 6.118 -2.648 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.707 6.172 -3.858 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.723 9.207 -4.268 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.661 7.996 -5.571 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -14.930 9.244 -5.576 1.00 60.02 H new ATOM 2148 N ALA A 133 -17.359 6.096 -2.213 1.00 22.32 N ATOM 2149 CA ALA A 133 -17.400 5.203 -1.065 1.00 1.31 C ATOM 2150 C ALA A 133 -18.756 4.509 -0.989 1.00 12.12 C ATOM 2151 O ALA A 133 -18.832 3.304 -0.745 1.00 70.21 O ATOM 2152 CB ALA A 133 -17.135 5.985 0.224 1.00 51.15 C ATOM 0 H ALA A 133 -17.148 7.069 -1.992 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.623 4.447 -1.181 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -17.168 5.305 1.075 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -16.151 6.452 0.171 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.896 6.756 0.345 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.827 5.269 -1.217 1.00 74.41 N ATOM 2159 CA GLY A 134 -21.171 4.703 -1.187 1.00 60.30 C ATOM 2160 C GLY A 134 -21.295 3.604 -2.229 1.00 32.05 C ATOM 2161 O GLY A 134 -21.961 2.592 -2.009 1.00 34.25 O ATOM 0 H GLY A 134 -19.789 6.267 -1.422 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -21.384 4.302 -0.196 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.908 5.483 -1.380 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.638 3.812 -3.363 1.00 35.20 N ATOM 2166 CA GLU A 135 -20.663 2.837 -4.440 1.00 1.00 C ATOM 2167 C GLU A 135 -19.905 1.582 -4.027 1.00 44.10 C ATOM 2168 O GLU A 135 -20.048 0.528 -4.647 1.00 3.04 O ATOM 2169 CB GLU A 135 -20.031 3.433 -5.700 1.00 54.22 C ATOM 2170 CG GLU A 135 -20.325 2.527 -6.897 1.00 44.15 C ATOM 2171 CD GLU A 135 -19.775 3.157 -8.174 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -20.453 4.002 -8.734 1.00 52.33 O ATOM 2173 OE2 GLU A 135 -18.683 2.784 -8.572 1.00 21.12 O ATOM 0 H GLU A 135 -20.083 4.645 -3.558 1.00 35.20 H new ATOM 0 HA GLU A 135 -21.699 2.573 -4.651 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -20.428 4.432 -5.881 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -18.954 3.537 -5.565 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -19.874 1.547 -6.741 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -21.400 2.372 -6.991 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.098 1.696 -2.970 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.321 0.558 -2.477 1.00 71.42 C ATOM 2182 C ARG A 136 -18.970 -0.040 -1.224 1.00 10.43 C ATOM 2183 O ARG A 136 -18.356 -0.841 -0.521 1.00 13.02 O ATOM 2184 CB ARG A 136 -16.890 1.010 -2.157 1.00 10.13 C ATOM 2185 CG ARG A 136 -15.938 -0.190 -2.195 1.00 20.53 C ATOM 2186 CD ARG A 136 -14.505 0.289 -1.956 1.00 21.34 C ATOM 2187 NE ARG A 136 -13.575 -0.828 -2.074 1.00 13.15 N ATOM 2188 CZ ARG A 136 -13.422 -1.701 -1.084 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -14.106 -1.565 0.018 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -12.586 -2.695 -1.215 1.00 30.20 N ATOM 0 H ARG A 136 -18.966 2.559 -2.442 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.297 -0.208 -3.252 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -16.568 1.762 -2.877 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -16.859 1.477 -1.173 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.222 -0.917 -1.434 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.009 -0.694 -3.159 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.248 1.064 -2.678 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.424 0.736 -0.965 1.00 21.34 H new ATOM 0 HE ARG A 136 -13.033 -0.941 -2.931 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -14.759 -0.788 0.120 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -13.988 -2.236 0.778 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -12.051 -2.801 -2.077 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -12.468 -3.366 -0.456 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.218 0.347 -0.957 1.00 22.44 N ATOM 2205 CA ASN A 137 -20.940 -0.171 0.207 1.00 43.04 C ATOM 2206 C ASN A 137 -20.142 0.037 1.489 1.00 65.41 C ATOM 2207 O ASN A 137 -20.190 -0.784 2.405 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.182 -1.658 0.024 1.00 74.52 C ATOM 2209 CG ASN A 137 -21.979 -1.906 -1.250 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -23.156 -1.553 -1.327 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -21.406 -2.495 -2.262 1.00 54.24 N ATOM 0 H ASN A 137 -20.746 1.010 -1.524 1.00 22.44 H new ATOM 0 HA ASN A 137 -21.884 0.368 0.289 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -20.230 -2.186 -0.025 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -21.723 -2.055 0.883 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -21.933 -2.664 -3.119 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -20.431 -2.787 -2.197 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.413 1.134 1.542 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.596 1.460 2.709 1.00 30.14 C ATOM 2220 C TYR A 138 -19.451 2.013 3.854 1.00 24.33 C ATOM 2221 O TYR A 138 -20.539 2.543 3.632 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.559 2.526 2.324 1.00 0.24 C ATOM 2223 CG TYR A 138 -18.179 3.896 2.511 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -19.414 4.181 1.918 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -17.542 4.864 3.297 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -20.015 5.428 2.109 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -18.143 6.116 3.483 1.00 51.14 C ATOM 2228 CZ TYR A 138 -19.379 6.396 2.890 1.00 1.13 C ATOM 2229 OH TYR A 138 -19.975 7.624 3.082 1.00 0.33 O ATOM 0 H TYR A 138 -19.365 1.822 0.790 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.109 0.543 3.042 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.667 2.427 2.943 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.245 2.391 1.289 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.904 3.435 1.311 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -16.590 4.646 3.759 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -20.970 5.643 1.653 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -17.651 6.866 4.085 1.00 51.14 H new ATOM 0 HH TYR A 138 -19.712 7.982 3.956 1.00 0.33 H new ATOM 2239 N THR A 139 -18.907 1.945 5.070 1.00 50.00 N ATOM 2240 CA THR A 139 -19.578 2.503 6.247 1.00 34.14 C ATOM 2241 C THR A 139 -18.643 3.526 6.893 1.00 42.01 C ATOM 2242 O THR A 139 -17.428 3.459 6.714 1.00 15.42 O ATOM 2243 CB THR A 139 -19.940 1.401 7.262 1.00 60.30 C ATOM 2244 OG1 THR A 139 -18.968 1.370 8.299 1.00 62.35 O ATOM 2245 CG2 THR A 139 -19.993 0.033 6.571 1.00 3.22 C ATOM 0 H THR A 139 -18.005 1.510 5.266 1.00 50.00 H new ATOM 0 HA THR A 139 -20.508 2.979 5.937 1.00 34.14 H new ATOM 0 HB THR A 139 -20.921 1.622 7.683 1.00 60.30 H new ATOM 0 HG1 THR A 139 -19.200 0.670 8.944 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.250 -0.734 7.302 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.747 0.052 5.784 1.00 3.22 H new ATOM 0 HG23 THR A 139 -19.020 -0.192 6.135 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.199 4.502 7.593 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.368 5.547 8.189 1.00 14.13 C ATOM 2255 C ASP A 140 -17.124 4.968 8.864 1.00 14.22 C ATOM 2256 O ASP A 140 -16.010 5.415 8.594 1.00 11.03 O ATOM 2257 CB ASP A 140 -19.183 6.337 9.214 1.00 54.23 C ATOM 2258 CG ASP A 140 -19.581 5.430 10.373 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -19.793 4.253 10.133 1.00 5.21 O ATOM 2260 OD2 ASP A 140 -19.669 5.926 11.485 1.00 15.14 O ATOM 0 H ASP A 140 -20.200 4.597 7.763 1.00 40.41 H new ATOM 0 HA ASP A 140 -18.039 6.206 7.385 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -18.599 7.179 9.584 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -20.074 6.750 8.742 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.303 3.998 9.752 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.164 3.413 10.455 1.00 72.05 C ATOM 2267 C GLU A 141 -15.108 2.900 9.477 1.00 22.20 C ATOM 2268 O GLU A 141 -13.954 2.694 9.853 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.643 2.260 11.340 1.00 44.22 C ATOM 2270 CG GLU A 141 -15.531 1.862 12.313 1.00 43.34 C ATOM 2271 CD GLU A 141 -16.011 0.733 13.218 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.148 0.319 13.064 1.00 33.43 O ATOM 2273 OE2 GLU A 141 -15.233 0.297 14.052 1.00 23.12 O ATOM 0 H GLU A 141 -18.210 3.603 10.001 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.710 4.191 11.069 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.534 2.559 11.893 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -16.922 1.406 10.723 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -14.648 1.545 11.759 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -15.238 2.722 12.915 1.00 43.34 H new ATOM 2280 N MET A 142 -15.504 2.683 8.228 1.00 62.22 N ATOM 2281 CA MET A 142 -14.572 2.177 7.224 1.00 23.02 C ATOM 2282 C MET A 142 -13.654 3.275 6.707 1.00 24.22 C ATOM 2283 O MET A 142 -12.602 2.987 6.150 1.00 74.13 O ATOM 2284 CB MET A 142 -15.343 1.578 6.051 1.00 34.54 C ATOM 2285 CG MET A 142 -16.425 0.629 6.578 1.00 74.15 C ATOM 2286 SD MET A 142 -16.655 -0.731 5.408 1.00 71.42 S ATOM 2287 CE MET A 142 -15.023 -1.481 5.617 1.00 54.20 C ATOM 0 H MET A 142 -16.452 2.847 7.888 1.00 62.22 H new ATOM 0 HA MET A 142 -13.960 1.411 7.701 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.798 2.372 5.459 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.662 1.039 5.392 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.137 0.239 7.554 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.362 1.168 6.714 1.00 74.15 H new ATOM 0 HE1 MET A 142 -15.095 -2.558 5.462 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.331 -1.055 4.890 1.00 54.20 H new ATOM 0 HE3 MET A 142 -14.658 -1.283 6.625 1.00 54.20 H new ATOM 2297 N VAL A 143 -14.047 4.525 6.920 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.231 5.671 6.487 1.00 3.01 C ATOM 2299 C VAL A 143 -12.969 6.603 7.661 1.00 24.33 C ATOM 2300 O VAL A 143 -13.898 7.006 8.360 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.931 6.447 5.362 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -15.153 7.181 5.922 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -12.954 7.469 4.749 1.00 74.23 C ATOM 0 H VAL A 143 -14.918 4.778 7.386 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.283 5.287 6.110 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.252 5.746 4.591 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.647 7.730 5.120 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.848 6.458 6.348 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.835 7.878 6.697 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.455 8.018 3.951 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.627 8.167 5.520 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -12.088 6.946 4.342 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.694 6.925 7.894 1.00 50.10 N ATOM 2314 CA ALA A 144 -11.335 7.798 9.014 1.00 61.10 C ATOM 2315 C ALA A 144 -10.570 9.040 8.551 1.00 63.34 C ATOM 2316 O ALA A 144 -9.503 8.938 7.937 1.00 73.51 O ATOM 2317 CB ALA A 144 -10.480 7.013 10.015 1.00 1.35 C ATOM 0 H ALA A 144 -10.906 6.601 7.333 1.00 50.10 H new ATOM 0 HA ALA A 144 -12.259 8.135 9.485 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -10.211 7.660 10.850 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -11.046 6.159 10.386 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.574 6.661 9.522 1.00 1.35 H new ATOM 2323 N MET A 145 -11.127 10.214 8.872 1.00 5.25 N ATOM 2324 CA MET A 145 -10.551 11.466 8.547 1.00 54.31 C ATOM 2325 C MET A 145 -9.522 11.812 9.630 1.00 61.24 C ATOM 2326 O MET A 145 -9.679 11.399 10.779 1.00 14.51 O ATOM 2327 CB MET A 145 -11.717 12.450 8.513 1.00 10.52 C ATOM 2328 CG MET A 145 -11.201 13.868 8.547 1.00 52.54 C ATOM 2329 SD MET A 145 -12.026 14.863 7.273 1.00 52.11 S ATOM 2330 CE MET A 145 -11.230 14.101 5.832 1.00 14.23 C ATOM 0 H MET A 145 -12.010 10.291 9.376 1.00 5.25 H new ATOM 0 HA MET A 145 -10.028 11.480 7.591 1.00 54.31 H new ATOM 0 HB2 MET A 145 -12.310 12.292 7.612 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.376 12.274 9.363 1.00 10.52 H new ATOM 0 HG2 MET A 145 -11.377 14.304 9.530 1.00 52.54 H new ATOM 0 HG3 MET A 145 -10.123 13.875 8.384 1.00 52.54 H new ATOM 0 HE1 MET A 145 -11.370 14.739 4.959 1.00 14.23 H new ATOM 0 HE2 MET A 145 -10.164 13.981 6.026 1.00 14.23 H new ATOM 0 HE3 MET A 145 -11.677 13.125 5.643 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.451 12.526 9.264 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.406 12.854 10.207 1.00 72.43 C ATOM 2342 C LEU A 146 -7.220 14.382 10.347 1.00 21.12 C ATOM 2343 O LEU A 146 -7.258 15.106 9.352 1.00 51.00 O ATOM 2344 CB LEU A 146 -6.132 12.182 9.673 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.338 11.530 10.794 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.200 10.572 11.633 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.189 10.741 10.189 1.00 65.41 C ATOM 0 H LEU A 146 -8.297 12.882 8.321 1.00 73.10 H new ATOM 0 HA LEU A 146 -7.655 12.498 11.207 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -6.399 11.431 8.930 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -5.512 12.923 9.169 1.00 14.35 H new ATOM 0 HG LEU A 146 -4.975 12.322 11.449 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -5.591 10.130 12.421 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.027 11.124 12.080 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -6.594 9.782 10.993 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -3.613 10.269 10.985 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -4.585 9.974 9.524 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.544 11.413 9.624 1.00 65.41 H new ATOM 2359 N PRO A 147 -7.021 14.878 11.559 1.00 43.31 N ATOM 2360 CA PRO A 147 -6.826 16.344 11.825 1.00 22.33 C ATOM 2361 C PRO A 147 -5.469 16.856 11.340 1.00 64.42 C ATOM 2362 O PRO A 147 -4.538 16.079 11.148 1.00 52.10 O ATOM 2363 CB PRO A 147 -6.928 16.440 13.351 1.00 61.44 C ATOM 2364 CG PRO A 147 -6.447 15.116 13.832 1.00 55.51 C ATOM 2365 CD PRO A 147 -6.960 14.106 12.818 1.00 41.15 C ATOM 0 HA PRO A 147 -7.556 16.955 11.295 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -6.315 17.252 13.741 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -7.952 16.632 13.671 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -5.359 15.092 13.894 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -6.828 14.899 14.830 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -6.291 13.250 12.731 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -7.939 13.718 13.098 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.376 18.171 11.138 1.00 24.45 N ATOM 2374 CA ARG A 148 -4.141 18.795 10.661 1.00 40.13 C ATOM 2375 C ARG A 148 -2.988 18.625 11.651 1.00 1.43 C ATOM 2376 O ARG A 148 -1.834 18.887 11.312 1.00 11.51 O ATOM 2377 CB ARG A 148 -4.379 20.288 10.424 1.00 12.42 C ATOM 2378 CG ARG A 148 -5.525 20.474 9.428 1.00 5.50 C ATOM 2379 CD ARG A 148 -5.650 21.954 9.064 1.00 73.34 C ATOM 2380 NE ARG A 148 -5.628 22.774 10.270 1.00 41.10 N ATOM 2381 CZ ARG A 148 -6.673 22.817 11.092 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -7.743 22.122 10.823 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -6.627 23.557 12.165 1.00 2.03 N ATOM 0 H ARG A 148 -6.142 18.825 11.297 1.00 24.45 H new ATOM 0 HA ARG A 148 -3.862 18.298 9.732 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -4.618 20.782 11.366 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -3.472 20.755 10.041 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -5.341 19.882 8.531 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -6.459 20.115 9.861 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -4.833 22.244 8.404 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.577 22.124 8.517 1.00 73.34 H new ATOM 0 HE ARG A 148 -4.797 23.324 10.487 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -7.779 21.545 9.982 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -8.544 22.155 11.453 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -5.790 24.102 12.373 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -7.428 23.591 12.796 1.00 2.03 H new ATOM 2397 N GLN A 149 -3.298 18.200 12.872 1.00 52.04 N ATOM 2398 CA GLN A 149 -2.263 18.016 13.891 1.00 51.24 C ATOM 2399 C GLN A 149 -0.993 17.413 13.287 1.00 22.35 C ATOM 2400 O GLN A 149 -1.047 16.408 12.582 1.00 42.24 O ATOM 2401 CB GLN A 149 -2.786 17.108 15.006 1.00 64.14 C ATOM 2402 CG GLN A 149 -3.935 17.804 15.736 1.00 54.21 C ATOM 2403 CD GLN A 149 -3.390 18.917 16.625 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -2.630 18.652 17.557 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -3.734 20.154 16.391 1.00 65.01 N ATOM 0 H GLN A 149 -4.245 17.978 13.180 1.00 52.04 H new ATOM 0 HA GLN A 149 -2.015 18.994 14.302 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -3.128 16.161 14.588 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -1.984 16.876 15.707 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -4.639 18.216 15.013 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -4.484 17.081 16.339 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -4.364 20.371 15.618 1.00 65.01 H new ATOM 0 HE22 GLN A 149 -3.373 20.904 16.981 1.00 65.01 H new ATOM 2414 N GLU A 150 0.147 18.049 13.561 1.00 14.32 N ATOM 2415 CA GLU A 150 1.436 17.584 13.035 1.00 22.54 C ATOM 2416 C GLU A 150 2.476 17.488 14.151 1.00 35.50 C ATOM 2417 O GLU A 150 2.585 18.383 14.988 1.00 24.24 O ATOM 2418 CB GLU A 150 1.933 18.560 11.966 1.00 54.11 C ATOM 2419 CG GLU A 150 2.061 19.960 12.570 1.00 42.13 C ATOM 2420 CD GLU A 150 2.332 20.979 11.468 1.00 70.14 C ATOM 2421 OE1 GLU A 150 2.533 20.562 10.339 1.00 41.35 O ATOM 2422 OE2 GLU A 150 2.333 22.161 11.770 1.00 23.40 O ATOM 0 H GLU A 150 0.207 18.885 14.142 1.00 14.32 H new ATOM 0 HA GLU A 150 1.295 16.594 12.602 1.00 22.54 H new ATOM 0 HB2 GLU A 150 2.897 18.231 11.578 1.00 54.11 H new ATOM 0 HB3 GLU A 150 1.240 18.578 11.125 1.00 54.11 H new ATOM 0 HG2 GLU A 150 1.146 20.221 13.101 1.00 42.13 H new ATOM 0 HG3 GLU A 150 2.870 19.978 13.300 1.00 42.13 H new ATOM 2429 N GLU A 151 3.258 16.406 14.136 1.00 13.22 N ATOM 2430 CA GLU A 151 4.314 16.211 15.131 1.00 5.20 C ATOM 2431 C GLU A 151 5.639 15.956 14.420 1.00 62.25 C ATOM 2432 O GLU A 151 6.707 16.307 14.924 1.00 35.11 O ATOM 2433 CB GLU A 151 3.980 15.035 16.053 1.00 73.21 C ATOM 2434 CG GLU A 151 4.857 15.105 17.308 1.00 32.44 C ATOM 2435 CD GLU A 151 4.439 14.025 18.299 1.00 42.03 C ATOM 2436 OE1 GLU A 151 3.254 13.926 18.573 1.00 62.45 O ATOM 2437 OE2 GLU A 151 5.310 13.312 18.770 1.00 21.23 O ATOM 0 H GLU A 151 3.180 15.655 13.450 1.00 13.22 H new ATOM 0 HA GLU A 151 4.393 17.111 15.741 1.00 5.20 H new ATOM 0 HB2 GLU A 151 2.926 15.064 16.331 1.00 73.21 H new ATOM 0 HB3 GLU A 151 4.146 14.092 15.532 1.00 73.21 H new ATOM 0 HG2 GLU A 151 5.905 14.975 17.037 1.00 32.44 H new ATOM 0 HG3 GLU A 151 4.767 16.088 17.770 1.00 32.44 H new ATOM 2444 N CYS A 152 5.555 15.360 13.232 1.00 3.20 N ATOM 2445 CA CYS A 152 6.741 15.076 12.425 1.00 62.35 C ATOM 2446 C CYS A 152 6.465 15.426 10.970 1.00 44.42 C ATOM 2447 O CYS A 152 5.311 15.495 10.547 1.00 52.44 O ATOM 2448 CB CYS A 152 7.139 13.601 12.540 1.00 21.15 C ATOM 2449 SG CYS A 152 8.935 13.439 12.377 1.00 44.34 S ATOM 0 H CYS A 152 4.677 15.064 12.806 1.00 3.20 H new ATOM 0 HA CYS A 152 7.567 15.683 12.796 1.00 62.35 H new ATOM 0 HB2 CYS A 152 6.814 13.200 13.500 1.00 21.15 H new ATOM 0 HB3 CYS A 152 6.640 13.018 11.766 1.00 21.15 H new ATOM 2454 N THR A 153 7.531 15.645 10.215 1.00 64.12 N ATOM 2455 CA THR A 153 7.407 16.000 8.799 1.00 72.34 C ATOM 2456 C THR A 153 8.648 15.553 8.024 1.00 62.12 C ATOM 2457 O THR A 153 9.700 15.308 8.615 1.00 12.01 O ATOM 2458 CB THR A 153 7.235 17.519 8.651 1.00 53.15 C ATOM 2459 OG1 THR A 153 8.445 18.165 9.022 1.00 44.01 O ATOM 2460 CG2 THR A 153 6.094 18.020 9.548 1.00 12.22 C ATOM 0 H THR A 153 8.492 15.585 10.553 1.00 64.12 H new ATOM 0 HA THR A 153 6.532 15.493 8.393 1.00 72.34 H new ATOM 0 HB THR A 153 6.992 17.748 7.613 1.00 53.15 H new ATOM 0 HG1 THR A 153 8.340 19.135 8.927 1.00 44.01 H new ATOM 0 HG21 THR A 153 5.986 19.098 9.431 1.00 12.22 H new ATOM 0 HG22 THR A 153 5.164 17.529 9.262 1.00 12.22 H new ATOM 0 HG23 THR A 153 6.321 17.789 10.589 1.00 12.22 H new ATOM 2468 N VAL A 154 8.528 15.461 6.698 1.00 51.52 N ATOM 2469 CA VAL A 154 9.639 15.065 5.867 1.00 60.43 C ATOM 2470 C VAL A 154 10.688 16.156 5.863 1.00 12.12 C ATOM 2471 O VAL A 154 10.408 17.309 6.193 1.00 35.22 O ATOM 2472 CB VAL A 154 9.178 14.846 4.422 1.00 1.14 C ATOM 2473 CG1 VAL A 154 7.995 13.867 4.362 1.00 44.43 C ATOM 2474 CG2 VAL A 154 8.785 16.198 3.809 1.00 71.22 C ATOM 0 H VAL A 154 7.667 15.658 6.188 1.00 51.52 H new ATOM 0 HA VAL A 154 10.050 14.139 6.269 1.00 60.43 H new ATOM 0 HB VAL A 154 9.998 14.409 3.851 1.00 1.14 H new ATOM 0 HG11 VAL A 154 7.688 13.730 3.325 1.00 44.43 H new ATOM 0 HG12 VAL A 154 8.296 12.907 4.781 1.00 44.43 H new ATOM 0 HG13 VAL A 154 7.161 14.269 4.937 1.00 44.43 H new ATOM 0 HG21 VAL A 154 8.456 16.049 2.781 1.00 71.22 H new ATOM 0 HG22 VAL A 154 7.974 16.639 4.389 1.00 71.22 H new ATOM 0 HG23 VAL A 154 9.645 16.867 3.821 1.00 71.22 H new ATOM 2484 N ASP A 155 11.884 15.792 5.458 1.00 24.30 N ATOM 2485 CA ASP A 155 12.962 16.758 5.377 1.00 21.03 C ATOM 2486 C ASP A 155 12.748 17.673 4.190 1.00 14.50 C ATOM 2487 O ASP A 155 11.934 17.405 3.304 1.00 4.23 O ATOM 2488 CB ASP A 155 14.321 16.078 5.247 1.00 61.34 C ATOM 2489 CG ASP A 155 15.412 17.115 4.990 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.421 18.119 5.682 1.00 62.01 O ATOM 2491 OD2 ASP A 155 16.221 16.888 4.106 1.00 31.41 O ATOM 0 H ASP A 155 12.136 14.843 5.181 1.00 24.30 H new ATOM 0 HA ASP A 155 12.955 17.335 6.302 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.546 15.522 6.158 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.297 15.356 4.431 1.00 61.34 H new ATOM 2496 N GLU A 156 13.491 18.750 4.196 1.00 2.41 N ATOM 2497 CA GLU A 156 13.422 19.743 3.140 1.00 53.24 C ATOM 2498 C GLU A 156 13.756 19.117 1.790 1.00 51.24 C ATOM 2499 O GLU A 156 13.242 19.543 0.754 1.00 33.03 O ATOM 2500 CB GLU A 156 14.408 20.868 3.447 1.00 2.32 C ATOM 2501 CG GLU A 156 13.875 21.716 4.604 1.00 20.22 C ATOM 2502 CD GLU A 156 14.826 22.875 4.881 1.00 12.41 C ATOM 2503 OE1 GLU A 156 15.894 22.626 5.414 1.00 14.01 O ATOM 2504 OE2 GLU A 156 14.469 23.997 4.557 1.00 74.02 O ATOM 0 H GLU A 156 14.163 18.969 4.931 1.00 2.41 H new ATOM 0 HA GLU A 156 12.408 20.141 3.092 1.00 53.24 H new ATOM 0 HB2 GLU A 156 15.381 20.451 3.706 1.00 2.32 H new ATOM 0 HB3 GLU A 156 14.553 21.490 2.563 1.00 2.32 H new ATOM 0 HG2 GLU A 156 12.884 22.098 4.359 1.00 20.22 H new ATOM 0 HG3 GLU A 156 13.768 21.101 5.498 1.00 20.22 H new ATOM 2511 N VAL A 157 14.617 18.106 1.808 1.00 61.44 N ATOM 2512 CA VAL A 157 15.012 17.429 0.578 1.00 35.44 C ATOM 2513 C VAL A 157 15.610 16.060 0.888 1.00 20.22 C ATOM 2514 O VAL A 157 16.207 15.922 1.943 1.00 63.22 O ATOM 2515 CB VAL A 157 16.036 18.276 -0.180 1.00 74.44 C ATOM 2516 CG1 VAL A 157 17.318 18.386 0.646 1.00 13.45 C ATOM 2517 CG2 VAL A 157 16.349 17.614 -1.523 1.00 24.25 C ATOM 2518 OXT VAL A 157 15.463 15.171 0.066 1.00 63.22 O ATOM 0 H VAL A 157 15.052 17.739 2.654 1.00 61.44 H new ATOM 0 HA VAL A 157 14.125 17.294 -0.041 1.00 35.44 H new ATOM 0 HB VAL A 157 15.629 19.272 -0.352 1.00 74.44 H new ATOM 0 HG11 VAL A 157 18.048 18.989 0.106 1.00 13.45 H new ATOM 0 HG12 VAL A 157 17.095 18.857 1.603 1.00 13.45 H new ATOM 0 HG13 VAL A 157 17.727 17.390 0.818 1.00 13.45 H new ATOM 0 HG21 VAL A 157 17.079 18.216 -2.064 1.00 24.25 H new ATOM 0 HG22 VAL A 157 16.757 16.618 -1.351 1.00 24.25 H new ATOM 0 HG23 VAL A 157 15.435 17.535 -2.112 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.754 3.323 3.576 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.702 1.611 2.553 1.00 20.00 O HETATM 2531 O5 EB4 A 200 3.019 1.586 2.996 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.644 -1.799 5.751 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.024 0.719 3.290 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.233 0.633 2.415 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.371 -0.183 3.532 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.005 0.212 4.584 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.160 4.115 4.508 1.00 20.00 C HETATM 2538 C8 EB4 A 200 5.025 0.328 2.407 1.00 20.00 C HETATM 2539 N2 EB4 A 200 3.859 -0.930 6.998 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.796 5.441 4.308 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -1.942 -0.633 1.282 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.273 2.190 5.797 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.316 2.264 8.141 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.293 -1.223 3.523 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.019 0.407 1.292 1.00 20.00 C HETATM 2546 C3 EB4 A 200 0.924 3.503 5.734 1.00 20.00 C HETATM 2547 C11 EB4 A 200 6.003 -0.569 2.820 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.450 0.135 4.568 1.00 20.00 O HETATM 2549 O2 EB4 A 200 2.986 0.656 5.368 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.226 6.166 5.350 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.022 5.564 6.586 1.00 20.00 C HETATM 2552 C14 EB4 A 200 5.983 -1.075 4.114 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.079 -1.449 2.398 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.255 -3.024 4.726 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.444 -2.099 4.719 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.672 -2.570 7.002 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -1.036 -1.676 8.176 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.676 -2.122 9.126 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.613 -0.385 8.097 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.972 0.472 9.191 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.131 1.498 9.382 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.149 3.594 8.108 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.370 4.232 6.780 1.00 20.00 C HETATM 2564 O9 EB4 A 200 -0.165 4.268 9.086 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.390 0.707 9.850 1.00 20.00 C HETATM 2566 O12 EB4 A 200 1.480 0.275 10.998 1.00 20.00 O HETATM 2567 C28 EB4 A 200 0.639 -3.321 7.193 1.00 20.00 C HETATM 2568 O13 EB4 A 200 1.791 -2.464 7.234 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.413 -2.280 8.430 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.031 -2.777 9.489 1.00 20.00 O HETATM 2571 C23 EB4 A 200 3.657 -1.390 8.379 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.497 -0.201 9.313 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.348 0.548 8.898 1.00 20.00 O HETATM 2574 C20 EB4 A 200 4.966 -1.195 6.291 1.00 20.00 C HETATM 2575 O8 EB4 A 200 5.918 -1.841 6.727 1.00 20.00 O HETATM 2576 C17 EB4 A 200 4.983 -0.685 4.997 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.920 0.969 8.987 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.377 -0.540 10.342 1.00 20.00 H new HETATM 0 H28A EB4 A 200 0.589 -3.893 8.119 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.577 1.773 7.286 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.121 -0.382 6.556 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.002 -1.014 5.666 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.956 5.912 3.338 1.00 20.00 H new HETATM 0 H8 EB4 A 200 5.042 0.725 1.392 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -0.912 1.047 0.416 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -1.107 -0.112 10.101 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.388 0.426 9.286 1.00 20.00 H new HETATM 0 H28 EB4 A 200 0.759 -4.039 6.381 1.00 20.00 H new HETATM 0 H24 EB4 A 200 -0.103 2.246 10.139 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.526 -1.962 8.704 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.454 -3.327 6.945 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.412 6.137 7.405 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.751 -1.778 4.436 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.801 -2.265 2.392 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.061 7.206 5.197 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.787 -0.876 2.128 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.557 -0.808 0.399 1.00 20.00 H new HETATM 2598 GA GA A 201 1.698 1.540 4.219 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.651 9.206 -10.582 1.00 20.00 C HETATM 2600 C2 ACD A 300 -0.159 9.181 -10.922 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.587 8.289 -9.926 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.377 8.816 -8.505 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.183 7.971 -7.516 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.625 7.674 -6.122 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.744 8.221 -5.712 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.698 8.730 -4.270 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.797 7.756 -3.094 1.00 20.00 C HETATM 2608 C10 ACD A 300 -0.943 6.252 -3.338 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.708 5.630 -2.168 1.00 20.00 C HETATM 2610 C12 ACD A 300 -0.990 5.363 -0.844 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.491 5.720 -0.700 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.721 6.128 0.757 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.792 7.604 1.158 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.634 8.710 0.112 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.750 8.622 -0.931 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.503 9.660 -2.028 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.431 9.364 -3.207 1.00 20.00 C HETATM 2618 C20 ACD A 300 2.075 10.264 -4.392 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.273 10.263 -10.826 1.00 20.00 O HETATM 2620 O2 ACD A 300 -2.136 8.167 -10.084 1.00 20.00 O HETATM 0 H203 ACD A 300 1.044 10.079 -4.692 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.186 11.309 -4.102 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.741 10.046 -5.227 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.468 9.528 -2.914 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.343 8.317 -3.496 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.462 9.628 -2.350 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.688 10.664 -1.646 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.717 8.797 -0.460 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.782 7.621 -1.362 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.336 8.621 -0.376 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.658 9.685 0.598 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.119 4.869 -0.965 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.757 6.534 -1.374 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.473 6.072 -4.273 1.00 20.00 H new HETATM 0 H101 ACD A 300 0.039 5.789 -3.434 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.642 8.397 -9.277 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.763 8.137 -2.073 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.594 9.798 -4.078 1.00 20.00 H new HETATM 0 H72 ACD A 300 -1.036 9.030 -6.382 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.499 7.440 -5.806 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.203 7.072 -5.421 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.158 7.579 -7.805 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.688 9.859 -8.444 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.682 8.783 -8.248 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.226 7.263 -10.001 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.650 8.271 -10.164 1.00 20.00 H new HETATM 0 H22 ACD A 300 -0.014 8.809 -11.936 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.247 10.192 -10.893 1.00 20.00 H new HETATM 0 H15 ACD A 300 0.957 7.870 2.202 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.836 5.358 1.519 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.531 4.921 -0.007 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.763 5.378 -2.278 1.00 20.00 H new