USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1099 hydrogens (0 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 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -55:sc= 0.215 USER MOD Single : A 20 HIS : no HD1:sc= -6.54! C(o=-6.5!,f=-6.9!) USER MOD Single : A 28 ASN : amide:sc= -2.54! C(o=-2.5!,f=-1.7!) USER MOD Single : A 33 MET CE :methyl 150:sc= -4.37! (180deg=-4.95!) USER MOD Single : A 37 MET CE :methyl -110:sc= -0.56 (180deg=-2.81!) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0.132 USER MOD Single : A 40 THR OG1 : rot -107:sc= -0.583 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -50:sc= -3.4! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-3.2!) USER MOD Single : A 75 THR OG1 : rot 79:sc= 0.23 USER MOD Single : A 81 SER OG : rot 20:sc= 0.579 USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= -0.248 (180deg=-1.44!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -8.36 X(o=-8.4,f=-8.8!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 99 THR OG1 : rot -139:sc= -1.42 USER MOD Single : A 101 MET CE :methyl -118:sc= -2.35 (180deg=-10!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.713 X(o=-0.71,f=-0.25) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-8!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -129:sc= -1.03 (180deg=-5.58!) USER MOD Single : A 133 LYS NZ :NH3+ 139:sc= -0.23 (180deg=-0.859) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.302 -0.617 18.113 1.00 0.00 N ATOM 2 CA MET A 1 -1.809 0.537 17.316 1.00 0.00 C ATOM 3 C MET A 1 -1.523 0.130 15.875 1.00 0.00 C ATOM 4 O MET A 1 -0.566 -0.596 15.602 1.00 0.00 O ATOM 5 CB MET A 1 -0.539 1.076 17.976 1.00 0.00 C ATOM 6 CG MET A 1 0.061 2.272 17.254 1.00 0.00 C ATOM 7 SD MET A 1 1.547 2.897 18.062 1.00 0.00 S ATOM 8 CE MET A 1 1.778 4.446 17.193 1.00 0.00 C ATOM 0 H1 MET A 1 -2.488 -0.310 19.089 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.180 -0.981 17.691 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.583 -1.368 18.117 1.00 0.00 H new ATOM 0 HA MET A 1 -2.577 1.310 17.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.766 1.359 19.004 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.203 0.279 18.021 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.301 1.990 16.229 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.681 3.069 17.200 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.662 4.953 17.581 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.910 4.250 16.129 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.903 5.079 17.339 1.00 0.00 H new ATOM 20 N LYS A 2 -2.356 0.604 14.954 1.00 0.00 N ATOM 21 CA LYS A 2 -2.192 0.289 13.540 1.00 0.00 C ATOM 22 C LYS A 2 -2.622 1.463 12.667 1.00 0.00 C ATOM 23 O LYS A 2 -1.911 1.859 11.744 1.00 0.00 O ATOM 24 CB LYS A 2 -2.999 -0.957 13.175 1.00 0.00 C ATOM 25 CG LYS A 2 -2.232 -2.256 13.366 1.00 0.00 C ATOM 26 CD LYS A 2 -3.137 -3.369 13.870 1.00 0.00 C ATOM 27 CE LYS A 2 -4.211 -3.718 12.853 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.533 -3.952 13.498 1.00 0.00 N ATOM 0 H LYS A 2 -3.151 1.208 15.162 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.135 0.093 13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.903 -0.986 13.784 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.317 -0.882 12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.779 -2.554 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.418 -2.099 14.074 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.540 -4.254 14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.606 -3.063 14.805 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.299 -2.910 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.913 -4.610 12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.238 -4.187 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.456 -4.740 14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.830 -3.092 14.002 1.00 0.00 H new ATOM 42 N GLY A 3 -3.790 2.015 12.969 1.00 0.00 N ATOM 43 CA GLY A 3 -4.300 3.141 12.208 1.00 0.00 C ATOM 44 C GLY A 3 -5.203 2.721 11.063 1.00 0.00 C ATOM 45 O GLY A 3 -5.863 3.561 10.451 1.00 0.00 O ATOM 0 H GLY A 3 -4.395 1.703 13.729 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.852 3.803 12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.462 3.714 11.811 1.00 0.00 H new ATOM 49 N PHE A 4 -5.235 1.424 10.767 1.00 0.00 N ATOM 50 CA PHE A 4 -6.065 0.910 9.684 1.00 0.00 C ATOM 51 C PHE A 4 -7.369 0.320 10.225 1.00 0.00 C ATOM 52 O PHE A 4 -7.380 -0.342 11.263 1.00 0.00 O ATOM 53 CB PHE A 4 -5.278 -0.128 8.868 1.00 0.00 C ATOM 54 CG PHE A 4 -5.851 -1.521 8.900 1.00 0.00 C ATOM 55 CD1 PHE A 4 -6.978 -1.834 8.159 1.00 0.00 C ATOM 56 CD2 PHE A 4 -5.260 -2.511 9.668 1.00 0.00 C ATOM 57 CE1 PHE A 4 -7.506 -3.111 8.182 1.00 0.00 C ATOM 58 CE2 PHE A 4 -5.783 -3.790 9.695 1.00 0.00 C ATOM 59 CZ PHE A 4 -6.909 -4.091 8.951 1.00 0.00 C ATOM 0 H PHE A 4 -4.697 0.712 11.261 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.332 1.736 9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.229 0.206 7.832 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.254 -0.162 9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.450 -1.072 7.556 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.381 -2.281 10.252 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.385 -3.343 7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.313 -4.554 10.297 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.320 -5.089 8.971 1.00 0.00 H new ATOM 69 N GLU A 5 -8.465 0.569 9.512 1.00 0.00 N ATOM 70 CA GLU A 5 -9.776 0.067 9.915 1.00 0.00 C ATOM 71 C GLU A 5 -10.612 -0.306 8.694 1.00 0.00 C ATOM 72 O GLU A 5 -10.647 0.426 7.707 1.00 0.00 O ATOM 73 CB GLU A 5 -10.513 1.114 10.751 1.00 0.00 C ATOM 74 CG GLU A 5 -10.644 2.462 10.059 1.00 0.00 C ATOM 75 CD GLU A 5 -11.766 3.305 10.635 1.00 0.00 C ATOM 76 OE1 GLU A 5 -11.633 3.760 11.790 1.00 0.00 O ATOM 77 OE2 GLU A 5 -12.775 3.511 9.929 1.00 0.00 O ATOM 0 H GLU A 5 -8.471 1.116 8.651 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.625 -0.828 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.508 0.740 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.986 1.249 11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.703 3.005 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.822 2.305 8.995 1.00 0.00 H new ATOM 84 N PHE A 6 -11.278 -1.454 8.766 1.00 0.00 N ATOM 85 CA PHE A 6 -12.107 -1.930 7.663 1.00 0.00 C ATOM 86 C PHE A 6 -13.583 -1.969 8.051 1.00 0.00 C ATOM 87 O PHE A 6 -13.923 -2.227 9.205 1.00 0.00 O ATOM 88 CB PHE A 6 -11.649 -3.322 7.229 1.00 0.00 C ATOM 89 CG PHE A 6 -11.643 -4.326 8.347 1.00 0.00 C ATOM 90 CD1 PHE A 6 -10.574 -4.397 9.227 1.00 0.00 C ATOM 91 CD2 PHE A 6 -12.705 -5.200 8.518 1.00 0.00 C ATOM 92 CE1 PHE A 6 -10.566 -5.318 10.256 1.00 0.00 C ATOM 93 CE2 PHE A 6 -12.701 -6.125 9.545 1.00 0.00 C ATOM 94 CZ PHE A 6 -11.630 -6.183 10.416 1.00 0.00 C ATOM 0 H PHE A 6 -11.260 -2.073 9.577 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.994 -1.232 6.833 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.303 -3.680 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.646 -3.251 6.809 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.738 -3.724 9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -13.545 -5.158 7.841 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.728 -5.362 10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.534 -6.802 9.667 1.00 0.00 H new ATOM 0 HZ PHE A 6 -11.625 -6.904 11.220 1.00 0.00 H new ATOM 104 N PHE A 7 -14.459 -1.724 7.077 1.00 0.00 N ATOM 105 CA PHE A 7 -15.900 -1.749 7.328 1.00 0.00 C ATOM 106 C PHE A 7 -16.546 -2.972 6.674 1.00 0.00 C ATOM 107 O PHE A 7 -16.180 -3.363 5.564 1.00 0.00 O ATOM 108 CB PHE A 7 -16.578 -0.462 6.832 1.00 0.00 C ATOM 109 CG PHE A 7 -15.880 0.230 5.690 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.921 -0.297 4.409 1.00 0.00 C ATOM 111 CD2 PHE A 7 -15.201 1.423 5.897 1.00 0.00 C ATOM 112 CE1 PHE A 7 -15.297 0.351 3.356 1.00 0.00 C ATOM 113 CE2 PHE A 7 -14.572 2.073 4.848 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.622 1.537 3.578 1.00 0.00 C ATOM 0 H PHE A 7 -14.199 -1.508 6.115 1.00 0.00 H new ATOM 0 HA PHE A 7 -16.042 -1.814 8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.596 -0.702 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -16.654 0.235 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -16.446 -1.224 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -15.163 1.850 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -15.338 -0.070 2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.043 2.998 5.024 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.134 2.043 2.758 1.00 0.00 H new ATOM 124 N ASP A 8 -17.497 -3.582 7.383 1.00 0.00 N ATOM 125 CA ASP A 8 -18.188 -4.776 6.894 1.00 0.00 C ATOM 126 C ASP A 8 -18.886 -4.527 5.560 1.00 0.00 C ATOM 127 O ASP A 8 -19.947 -3.904 5.504 1.00 0.00 O ATOM 128 CB ASP A 8 -19.206 -5.261 7.925 1.00 0.00 C ATOM 129 CG ASP A 8 -20.103 -4.146 8.425 1.00 0.00 C ATOM 130 OD1 ASP A 8 -19.568 -3.115 8.884 1.00 0.00 O ATOM 131 OD2 ASP A 8 -21.340 -4.304 8.358 1.00 0.00 O ATOM 0 H ASP A 8 -17.807 -3.267 8.302 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.431 -5.545 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.820 -6.046 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.679 -5.705 8.770 1.00 0.00 H new ATOM 136 N VAL A 9 -18.276 -5.024 4.491 1.00 0.00 N ATOM 137 CA VAL A 9 -18.817 -4.873 3.144 1.00 0.00 C ATOM 138 C VAL A 9 -19.395 -6.172 2.592 1.00 0.00 C ATOM 139 O VAL A 9 -18.970 -7.266 2.959 1.00 0.00 O ATOM 140 CB VAL A 9 -17.779 -4.361 2.141 1.00 0.00 C ATOM 141 CG1 VAL A 9 -16.935 -5.518 1.618 1.00 0.00 C ATOM 142 CG2 VAL A 9 -18.495 -3.631 1.010 1.00 0.00 C ATOM 0 H VAL A 9 -17.397 -5.540 4.531 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.612 -4.136 3.255 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.102 -3.661 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.201 -5.140 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.420 -5.998 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.580 -6.244 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.762 -3.264 0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.180 -4.316 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.056 -2.790 1.418 1.00 0.00 H new ATOM 152 N THR A 10 -20.351 -6.030 1.685 1.00 0.00 N ATOM 153 CA THR A 10 -20.981 -7.173 1.043 1.00 0.00 C ATOM 154 C THR A 10 -20.521 -7.316 -0.411 1.00 0.00 C ATOM 155 O THR A 10 -21.350 -7.304 -1.321 1.00 0.00 O ATOM 156 CB THR A 10 -22.489 -6.992 1.059 1.00 0.00 C ATOM 157 OG1 THR A 10 -22.952 -6.714 2.368 1.00 0.00 O ATOM 158 CG2 THR A 10 -23.239 -8.197 0.540 1.00 0.00 C ATOM 0 H THR A 10 -20.709 -5.126 1.376 1.00 0.00 H new ATOM 0 HA THR A 10 -20.694 -8.070 1.592 1.00 0.00 H new ATOM 0 HB THR A 10 -22.687 -6.152 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 10 -23.925 -6.600 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.311 -8.003 0.578 1.00 0.00 H new ATOM 0 HG22 THR A 10 -22.942 -8.394 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.005 -9.065 1.157 1.00 0.00 H new ATOM 166 N ALA A 11 -19.207 -7.456 -0.633 1.00 0.00 N ATOM 167 CA ALA A 11 -18.661 -7.601 -1.987 1.00 0.00 C ATOM 168 C ALA A 11 -17.279 -6.978 -2.084 1.00 0.00 C ATOM 169 O ALA A 11 -16.307 -7.653 -2.409 1.00 0.00 O ATOM 170 CB ALA A 11 -19.575 -6.975 -3.036 1.00 0.00 C ATOM 0 H ALA A 11 -18.505 -7.472 0.107 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.590 -8.670 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.135 -7.103 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.550 -7.462 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.694 -5.912 -2.827 1.00 0.00 H new ATOM 176 N ASP A 12 -17.194 -5.686 -1.799 1.00 0.00 N ATOM 177 CA ASP A 12 -15.900 -4.990 -1.860 1.00 0.00 C ATOM 178 C ASP A 12 -15.565 -4.315 -0.550 1.00 0.00 C ATOM 179 O ASP A 12 -16.335 -3.513 -0.042 1.00 0.00 O ATOM 180 CB ASP A 12 -15.845 -3.944 -2.958 1.00 0.00 C ATOM 181 CG ASP A 12 -17.087 -3.913 -3.830 1.00 0.00 C ATOM 182 OD1 ASP A 12 -17.212 -4.784 -4.717 1.00 0.00 O ATOM 183 OD2 ASP A 12 -17.935 -3.019 -3.624 1.00 0.00 O ATOM 0 H ASP A 12 -17.984 -5.101 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.169 -5.769 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.704 -2.962 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.975 -4.134 -3.586 1.00 0.00 H new ATOM 188 N ALA A 13 -14.413 -4.640 -0.008 1.00 0.00 N ATOM 189 CA ALA A 13 -13.999 -4.068 1.259 1.00 0.00 C ATOM 190 C ALA A 13 -12.913 -3.019 1.109 1.00 0.00 C ATOM 191 O ALA A 13 -11.826 -3.308 0.633 1.00 0.00 O ATOM 192 CB ALA A 13 -13.518 -5.185 2.161 1.00 0.00 C ATOM 0 H ALA A 13 -13.747 -5.294 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.861 -3.560 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.203 -4.770 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.328 -5.896 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.676 -5.694 1.692 1.00 0.00 H new ATOM 198 N GLY A 14 -13.204 -1.816 1.581 1.00 0.00 N ATOM 199 CA GLY A 14 -12.226 -0.747 1.554 1.00 0.00 C ATOM 200 C GLY A 14 -11.818 -0.408 2.965 1.00 0.00 C ATOM 201 O GLY A 14 -12.669 -0.233 3.835 1.00 0.00 O ATOM 0 H GLY A 14 -14.105 -1.560 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.354 -1.051 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.644 0.132 1.063 1.00 0.00 H new ATOM 205 N PHE A 15 -10.523 -0.359 3.216 1.00 0.00 N ATOM 206 CA PHE A 15 -10.038 -0.088 4.557 1.00 0.00 C ATOM 207 C PHE A 15 -9.493 1.322 4.667 1.00 0.00 C ATOM 208 O PHE A 15 -8.994 1.888 3.695 1.00 0.00 O ATOM 209 CB PHE A 15 -8.957 -1.100 4.947 1.00 0.00 C ATOM 210 CG PHE A 15 -9.156 -2.460 4.333 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.388 -3.090 4.398 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.112 -3.104 3.690 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.574 -4.338 3.833 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.291 -4.352 3.124 1.00 0.00 C ATOM 215 CZ PHE A 15 -9.524 -4.970 3.195 1.00 0.00 C ATOM 0 H PHE A 15 -9.794 -0.502 2.517 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.879 -0.183 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.983 -0.713 4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.939 -1.200 6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -11.212 -2.601 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.146 -2.625 3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.539 -4.819 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.468 -4.843 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.667 -5.945 2.753 1.00 0.00 H new ATOM 225 N TRP A 16 -9.599 1.884 5.861 1.00 0.00 N ATOM 226 CA TRP A 16 -9.122 3.232 6.107 1.00 0.00 C ATOM 227 C TRP A 16 -7.902 3.205 7.013 1.00 0.00 C ATOM 228 O TRP A 16 -7.946 2.659 8.114 1.00 0.00 O ATOM 229 CB TRP A 16 -10.227 4.069 6.760 1.00 0.00 C ATOM 230 CG TRP A 16 -10.851 5.076 5.842 1.00 0.00 C ATOM 231 CD1 TRP A 16 -10.211 5.869 4.935 1.00 0.00 C ATOM 232 CD2 TRP A 16 -12.243 5.403 5.751 1.00 0.00 C ATOM 233 NE1 TRP A 16 -11.120 6.666 4.281 1.00 0.00 N ATOM 234 CE2 TRP A 16 -12.374 6.398 4.764 1.00 0.00 C ATOM 235 CE3 TRP A 16 -13.391 4.948 6.406 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -13.607 6.946 4.418 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -14.614 5.493 6.063 1.00 0.00 C ATOM 238 CH2 TRP A 16 -14.714 6.483 5.075 1.00 0.00 C ATOM 0 H TRP A 16 -10.011 1.426 6.674 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.845 3.680 5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.004 3.401 7.131 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -9.813 4.588 7.625 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.146 5.870 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.897 7.346 3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -13.324 4.184 7.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -13.686 7.709 3.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -15.507 5.151 6.564 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -15.684 6.888 4.828 1.00 0.00 H new ATOM 249 N ALA A 17 -6.823 3.815 6.547 1.00 0.00 N ATOM 250 CA ALA A 17 -5.588 3.886 7.310 1.00 0.00 C ATOM 251 C ALA A 17 -5.219 5.322 7.531 1.00 0.00 C ATOM 252 O ALA A 17 -5.487 6.179 6.692 1.00 0.00 O ATOM 253 CB ALA A 17 -4.467 3.130 6.611 1.00 0.00 C ATOM 0 H ALA A 17 -6.779 4.271 5.636 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.742 3.409 8.278 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.555 3.200 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.748 2.083 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.293 3.565 5.627 1.00 0.00 H new ATOM 259 N TYR A 18 -4.646 5.592 8.684 1.00 0.00 N ATOM 260 CA TYR A 18 -4.300 6.949 9.029 1.00 0.00 C ATOM 261 C TYR A 18 -2.797 7.170 9.117 1.00 0.00 C ATOM 262 O TYR A 18 -2.046 6.299 9.558 1.00 0.00 O ATOM 263 CB TYR A 18 -4.969 7.342 10.343 1.00 0.00 C ATOM 264 CG TYR A 18 -6.045 6.390 10.819 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.091 6.017 9.985 1.00 0.00 C ATOM 266 CD2 TYR A 18 -6.018 5.876 12.108 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.080 5.157 10.425 1.00 0.00 C ATOM 268 CE2 TYR A 18 -7.000 5.016 12.554 1.00 0.00 C ATOM 269 CZ TYR A 18 -8.029 4.659 11.709 1.00 0.00 C ATOM 270 OH TYR A 18 -9.012 3.802 12.150 1.00 0.00 O ATOM 0 H TYR A 18 -4.413 4.895 9.391 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.666 7.586 8.224 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.204 7.418 11.115 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.406 8.334 10.229 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.132 6.405 8.978 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.214 6.154 12.773 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.888 4.877 9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.963 4.624 13.560 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.890 4.220 12.026 1.00 0.00 H new ATOM 280 N GLY A 19 -2.377 8.359 8.697 1.00 0.00 N ATOM 281 CA GLY A 19 -0.978 8.718 8.731 1.00 0.00 C ATOM 282 C GLY A 19 -0.578 9.386 9.982 1.00 0.00 C ATOM 283 O GLY A 19 -1.286 9.401 10.989 1.00 0.00 O ATOM 0 H GLY A 19 -2.992 9.086 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.376 7.819 8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.758 9.375 7.890 1.00 0.00 H new ATOM 287 N HIS A 20 0.592 9.925 9.883 1.00 0.00 N ATOM 288 CA HIS A 20 1.216 10.612 10.944 1.00 0.00 C ATOM 289 C HIS A 20 2.009 11.793 10.397 1.00 0.00 C ATOM 290 O HIS A 20 2.700 12.492 11.138 1.00 0.00 O ATOM 291 CB HIS A 20 2.122 9.641 11.662 1.00 0.00 C ATOM 292 CG HIS A 20 1.926 8.191 11.314 1.00 0.00 C ATOM 293 ND1 HIS A 20 2.929 7.398 10.795 1.00 0.00 N ATOM 294 CD2 HIS A 20 0.843 7.385 11.441 1.00 0.00 C ATOM 295 CE1 HIS A 20 2.471 6.171 10.617 1.00 0.00 C ATOM 296 NE2 HIS A 20 1.209 6.137 11.001 1.00 0.00 N ATOM 0 H HIS A 20 1.151 9.893 9.030 1.00 0.00 H new ATOM 0 HA HIS A 20 0.474 11.002 11.641 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.156 9.911 11.448 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.976 9.762 12.735 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.128 7.672 11.818 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.034 5.338 10.224 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.604 5.317 10.975 1.00 0.00 H new ATOM 305 N ASP A 21 1.902 12.003 9.084 1.00 0.00 N ATOM 306 CA ASP A 21 2.611 13.098 8.424 1.00 0.00 C ATOM 307 C ASP A 21 2.312 13.134 6.929 1.00 0.00 C ATOM 308 O ASP A 21 3.149 13.554 6.130 1.00 0.00 O ATOM 309 CB ASP A 21 4.119 12.962 8.644 1.00 0.00 C ATOM 310 CG ASP A 21 4.833 14.299 8.595 1.00 0.00 C ATOM 311 OD1 ASP A 21 4.382 15.185 7.839 1.00 0.00 O ATOM 312 OD2 ASP A 21 5.843 14.459 9.311 1.00 0.00 O ATOM 0 H ASP A 21 1.333 11.431 8.460 1.00 0.00 H new ATOM 0 HA ASP A 21 2.262 14.031 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.302 12.491 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.536 12.302 7.883 1.00 0.00 H new ATOM 317 N LEU A 22 1.119 12.683 6.554 1.00 0.00 N ATOM 318 CA LEU A 22 0.704 12.651 5.155 1.00 0.00 C ATOM 319 C LEU A 22 1.432 11.541 4.418 1.00 0.00 C ATOM 320 O LEU A 22 0.810 10.645 3.852 1.00 0.00 O ATOM 321 CB LEU A 22 0.957 14.005 4.475 1.00 0.00 C ATOM 322 CG LEU A 22 -0.295 14.744 3.989 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.180 13.826 3.156 1.00 0.00 C ATOM 324 CD2 LEU A 22 -1.069 15.320 5.169 1.00 0.00 C ATOM 0 H LEU A 22 0.417 12.332 7.205 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.367 12.452 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.489 14.649 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.617 13.846 3.623 1.00 0.00 H new ATOM 0 HG LEU A 22 0.023 15.570 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.061 14.374 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.623 13.473 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.490 12.973 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.954 15.841 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.372 14.512 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.435 16.020 5.713 1.00 0.00 H new ATOM 336 N GLU A 23 2.754 11.589 4.447 1.00 0.00 N ATOM 337 CA GLU A 23 3.557 10.565 3.797 1.00 0.00 C ATOM 338 C GLU A 23 3.221 9.201 4.382 1.00 0.00 C ATOM 339 O GLU A 23 2.906 8.260 3.660 1.00 0.00 O ATOM 340 CB GLU A 23 5.062 10.846 3.971 1.00 0.00 C ATOM 341 CG GLU A 23 5.421 11.669 5.200 1.00 0.00 C ATOM 342 CD GLU A 23 6.914 11.694 5.466 1.00 0.00 C ATOM 343 OE1 GLU A 23 7.609 12.548 4.875 1.00 0.00 O ATOM 344 OE2 GLU A 23 7.388 10.860 6.266 1.00 0.00 O ATOM 0 H GLU A 23 3.292 12.321 4.911 1.00 0.00 H new ATOM 0 HA GLU A 23 3.327 10.576 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.591 9.894 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.425 11.366 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.062 12.689 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.907 11.260 6.070 1.00 0.00 H new ATOM 351 N GLU A 24 3.289 9.121 5.703 1.00 0.00 N ATOM 352 CA GLU A 24 3.011 7.892 6.436 1.00 0.00 C ATOM 353 C GLU A 24 1.652 7.285 6.081 1.00 0.00 C ATOM 354 O GLU A 24 1.437 6.089 6.276 1.00 0.00 O ATOM 355 CB GLU A 24 3.083 8.161 7.941 1.00 0.00 C ATOM 356 CG GLU A 24 4.333 8.917 8.365 1.00 0.00 C ATOM 357 CD GLU A 24 5.609 8.169 8.031 1.00 0.00 C ATOM 358 OE1 GLU A 24 5.591 6.921 8.067 1.00 0.00 O ATOM 359 OE2 GLU A 24 6.624 8.832 7.734 1.00 0.00 O ATOM 0 H GLU A 24 3.539 9.909 6.300 1.00 0.00 H new ATOM 0 HA GLU A 24 3.770 7.166 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.204 8.731 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.045 7.211 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.348 9.890 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.295 9.101 9.439 1.00 0.00 H new ATOM 366 N VAL A 25 0.720 8.100 5.601 1.00 0.00 N ATOM 367 CA VAL A 25 -0.610 7.594 5.274 1.00 0.00 C ATOM 368 C VAL A 25 -0.630 6.761 3.992 1.00 0.00 C ATOM 369 O VAL A 25 -1.426 5.829 3.871 1.00 0.00 O ATOM 370 CB VAL A 25 -1.650 8.733 5.170 1.00 0.00 C ATOM 371 CG1 VAL A 25 -1.599 9.419 3.811 1.00 0.00 C ATOM 372 CG2 VAL A 25 -3.047 8.199 5.451 1.00 0.00 C ATOM 0 H VAL A 25 0.855 9.097 5.431 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.883 6.940 6.102 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.401 9.482 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.344 10.214 3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.608 9.844 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.809 8.691 3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.769 9.012 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.293 7.425 4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.080 7.778 6.456 1.00 0.00 H new ATOM 382 N PHE A 26 0.227 7.094 3.031 1.00 0.00 N ATOM 383 CA PHE A 26 0.268 6.370 1.782 1.00 0.00 C ATOM 384 C PHE A 26 0.878 4.972 1.979 1.00 0.00 C ATOM 385 O PHE A 26 0.392 3.989 1.423 1.00 0.00 O ATOM 386 CB PHE A 26 1.021 7.211 0.743 1.00 0.00 C ATOM 387 CG PHE A 26 2.093 6.472 0.029 1.00 0.00 C ATOM 388 CD1 PHE A 26 3.227 6.096 0.701 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.959 6.145 -1.303 1.00 0.00 C ATOM 390 CE1 PHE A 26 4.219 5.400 0.064 1.00 0.00 C ATOM 391 CE2 PHE A 26 2.950 5.445 -1.954 1.00 0.00 C ATOM 392 CZ PHE A 26 4.087 5.068 -1.268 1.00 0.00 C ATOM 0 H PHE A 26 0.897 7.860 3.101 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.743 6.205 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.307 7.591 0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.460 8.076 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.339 6.352 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.070 6.440 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.107 5.110 0.606 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.838 5.192 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.868 4.517 -1.771 1.00 0.00 H new ATOM 402 N GLU A 27 1.935 4.898 2.790 1.00 0.00 N ATOM 403 CA GLU A 27 2.608 3.630 3.085 1.00 0.00 C ATOM 404 C GLU A 27 1.647 2.686 3.796 1.00 0.00 C ATOM 405 O GLU A 27 1.710 1.469 3.625 1.00 0.00 O ATOM 406 CB GLU A 27 3.874 3.882 3.915 1.00 0.00 C ATOM 407 CG GLU A 27 3.637 4.553 5.256 1.00 0.00 C ATOM 408 CD GLU A 27 3.014 3.621 6.278 1.00 0.00 C ATOM 409 OE1 GLU A 27 3.081 2.390 6.078 1.00 0.00 O ATOM 410 OE2 GLU A 27 2.465 4.120 7.283 1.00 0.00 O ATOM 0 H GLU A 27 2.346 5.706 3.257 1.00 0.00 H new ATOM 0 HA GLU A 27 2.915 3.156 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.374 2.929 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.556 4.500 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.585 4.927 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.987 5.417 5.115 1.00 0.00 H new ATOM 417 N ASN A 28 0.744 3.264 4.584 1.00 0.00 N ATOM 418 CA ASN A 28 -0.253 2.490 5.314 1.00 0.00 C ATOM 419 C ASN A 28 -1.153 1.708 4.354 1.00 0.00 C ATOM 420 O ASN A 28 -1.699 0.666 4.717 1.00 0.00 O ATOM 421 CB ASN A 28 -1.102 3.411 6.194 1.00 0.00 C ATOM 422 CG ASN A 28 -1.178 2.928 7.629 1.00 0.00 C ATOM 423 OD1 ASN A 28 -0.758 3.624 8.554 1.00 0.00 O ATOM 424 ND2 ASN A 28 -1.715 1.730 7.823 1.00 0.00 N ATOM 0 H ASN A 28 0.683 4.271 4.733 1.00 0.00 H new ATOM 0 HA ASN A 28 0.273 1.777 5.948 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.683 4.417 6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.109 3.477 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.792 1.353 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.051 1.187 7.028 1.00 0.00 H new ATOM 431 N ALA A 29 -1.311 2.219 3.132 1.00 0.00 N ATOM 432 CA ALA A 29 -2.154 1.561 2.131 1.00 0.00 C ATOM 433 C ALA A 29 -1.764 0.096 1.967 1.00 0.00 C ATOM 434 O ALA A 29 -2.626 -0.781 1.908 1.00 0.00 O ATOM 435 CB ALA A 29 -2.065 2.287 0.795 1.00 0.00 C ATOM 0 H ALA A 29 -0.870 3.081 2.812 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.186 1.601 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.698 1.783 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.401 3.317 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.032 2.281 0.446 1.00 0.00 H new ATOM 441 N ALA A 30 -0.464 -0.166 1.916 1.00 0.00 N ATOM 442 CA ALA A 30 0.029 -1.530 1.785 1.00 0.00 C ATOM 443 C ALA A 30 -0.167 -2.283 3.091 1.00 0.00 C ATOM 444 O ALA A 30 -0.418 -3.488 3.096 1.00 0.00 O ATOM 445 CB ALA A 30 1.494 -1.531 1.378 1.00 0.00 C ATOM 0 H ALA A 30 0.265 0.546 1.963 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.540 -2.035 1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.845 -2.559 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.606 -1.021 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.083 -1.014 2.136 1.00 0.00 H new ATOM 451 N LEU A 31 -0.062 -1.558 4.200 1.00 0.00 N ATOM 452 CA LEU A 31 -0.241 -2.153 5.518 1.00 0.00 C ATOM 453 C LEU A 31 -1.632 -2.774 5.648 1.00 0.00 C ATOM 454 O LEU A 31 -1.847 -3.671 6.461 1.00 0.00 O ATOM 455 CB LEU A 31 -0.036 -1.100 6.609 1.00 0.00 C ATOM 456 CG LEU A 31 0.154 -1.656 8.022 1.00 0.00 C ATOM 457 CD1 LEU A 31 1.190 -0.843 8.784 1.00 0.00 C ATOM 458 CD2 LEU A 31 -1.170 -1.671 8.769 1.00 0.00 C ATOM 0 H LEU A 31 0.146 -0.559 4.212 1.00 0.00 H new ATOM 0 HA LEU A 31 0.503 -2.940 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.836 -0.498 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.896 -0.430 6.612 1.00 0.00 H new ATOM 0 HG LEU A 31 0.517 -2.681 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.310 -1.255 9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.144 -0.884 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.859 0.193 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.017 -2.069 9.772 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.561 -0.656 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.883 -2.299 8.234 1.00 0.00 H new ATOM 470 N ALA A 32 -2.574 -2.286 4.843 1.00 0.00 N ATOM 471 CA ALA A 32 -3.943 -2.792 4.867 1.00 0.00 C ATOM 472 C ALA A 32 -4.020 -4.219 4.330 1.00 0.00 C ATOM 473 O ALA A 32 -4.620 -5.095 4.954 1.00 0.00 O ATOM 474 CB ALA A 32 -4.857 -1.875 4.067 1.00 0.00 C ATOM 0 H ALA A 32 -2.413 -1.540 4.166 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.276 -2.809 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.875 -2.263 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.839 -0.875 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.512 -1.829 3.034 1.00 0.00 H new ATOM 480 N MET A 33 -3.413 -4.445 3.168 1.00 0.00 N ATOM 481 CA MET A 33 -3.416 -5.765 2.540 1.00 0.00 C ATOM 482 C MET A 33 -2.951 -6.842 3.518 1.00 0.00 C ATOM 483 O MET A 33 -3.343 -8.004 3.412 1.00 0.00 O ATOM 484 CB MET A 33 -2.520 -5.761 1.300 1.00 0.00 C ATOM 485 CG MET A 33 -3.239 -6.178 0.029 1.00 0.00 C ATOM 486 SD MET A 33 -4.014 -4.786 -0.816 1.00 0.00 S ATOM 487 CE MET A 33 -4.730 -5.608 -2.236 1.00 0.00 C ATOM 0 H MET A 33 -2.912 -3.730 2.641 1.00 0.00 H new ATOM 0 HA MET A 33 -4.439 -5.995 2.243 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.108 -4.761 1.163 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.678 -6.433 1.468 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.529 -6.658 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.000 -6.920 0.273 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.629 -5.077 -2.549 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.010 -5.615 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.988 -6.633 -1.971 1.00 0.00 H new ATOM 497 N PHE A 34 -2.109 -6.444 4.465 1.00 0.00 N ATOM 498 CA PHE A 34 -1.579 -7.369 5.467 1.00 0.00 C ATOM 499 C PHE A 34 -2.698 -8.150 6.156 1.00 0.00 C ATOM 500 O PHE A 34 -2.550 -9.338 6.444 1.00 0.00 O ATOM 501 CB PHE A 34 -0.767 -6.594 6.509 1.00 0.00 C ATOM 502 CG PHE A 34 -0.364 -7.403 7.715 1.00 0.00 C ATOM 503 CD1 PHE A 34 -0.152 -8.770 7.618 1.00 0.00 C ATOM 504 CD2 PHE A 34 -0.201 -6.791 8.947 1.00 0.00 C ATOM 505 CE1 PHE A 34 0.214 -9.508 8.728 1.00 0.00 C ATOM 506 CE2 PHE A 34 0.166 -7.524 10.059 1.00 0.00 C ATOM 507 CZ PHE A 34 0.374 -8.885 9.949 1.00 0.00 C ATOM 0 H PHE A 34 -1.776 -5.485 4.562 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.935 -8.085 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.132 -6.203 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.351 -5.736 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.274 -9.263 6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.363 -5.727 9.039 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.375 -10.572 8.640 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.290 -7.033 11.013 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.661 -9.460 10.817 1.00 0.00 H new ATOM 517 N GLU A 35 -3.815 -7.481 6.418 1.00 0.00 N ATOM 518 CA GLU A 35 -4.950 -8.121 7.074 1.00 0.00 C ATOM 519 C GLU A 35 -5.356 -9.393 6.334 1.00 0.00 C ATOM 520 O GLU A 35 -5.854 -10.344 6.935 1.00 0.00 O ATOM 521 CB GLU A 35 -6.137 -7.158 7.145 1.00 0.00 C ATOM 522 CG GLU A 35 -7.207 -7.584 8.137 1.00 0.00 C ATOM 523 CD GLU A 35 -6.669 -7.737 9.546 1.00 0.00 C ATOM 524 OE1 GLU A 35 -6.366 -6.705 10.181 1.00 0.00 O ATOM 525 OE2 GLU A 35 -6.549 -8.888 10.015 1.00 0.00 O ATOM 0 H GLU A 35 -3.959 -6.498 6.187 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.649 -8.389 8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.774 -6.167 7.418 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.585 -7.072 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.011 -6.848 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.641 -8.530 7.813 1.00 0.00 H new ATOM 532 N VAL A 36 -5.136 -9.397 5.025 1.00 0.00 N ATOM 533 CA VAL A 36 -5.474 -10.543 4.191 1.00 0.00 C ATOM 534 C VAL A 36 -4.279 -11.474 4.014 1.00 0.00 C ATOM 535 O VAL A 36 -4.367 -12.674 4.268 1.00 0.00 O ATOM 536 CB VAL A 36 -5.945 -10.088 2.799 1.00 0.00 C ATOM 537 CG1 VAL A 36 -6.462 -11.270 1.989 1.00 0.00 C ATOM 538 CG2 VAL A 36 -7.009 -9.007 2.921 1.00 0.00 C ATOM 0 H VAL A 36 -4.723 -8.615 4.516 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.277 -11.077 4.699 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.090 -9.666 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.789 -10.924 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.665 -12.004 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.302 -11.729 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.330 -8.698 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.864 -9.398 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.597 -8.149 3.452 1.00 0.00 H new ATOM 548 N MET A 37 -3.166 -10.906 3.560 1.00 0.00 N ATOM 549 CA MET A 37 -1.945 -11.672 3.324 1.00 0.00 C ATOM 550 C MET A 37 -1.574 -12.535 4.529 1.00 0.00 C ATOM 551 O MET A 37 -1.423 -13.750 4.409 1.00 0.00 O ATOM 552 CB MET A 37 -0.792 -10.728 2.980 1.00 0.00 C ATOM 553 CG MET A 37 -1.077 -9.827 1.788 1.00 0.00 C ATOM 554 SD MET A 37 -0.965 -10.700 0.215 1.00 0.00 S ATOM 555 CE MET A 37 -2.625 -11.359 0.075 1.00 0.00 C ATOM 0 H MET A 37 -3.084 -9.912 3.347 1.00 0.00 H new ATOM 0 HA MET A 37 -2.131 -12.341 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.570 -10.108 3.848 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.101 -11.319 2.773 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.074 -9.399 1.891 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.372 -8.996 1.789 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.599 -12.441 0.203 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.258 -10.917 0.845 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.030 -11.120 -0.908 1.00 0.00 H new ATOM 565 N THR A 38 -1.430 -11.896 5.686 1.00 0.00 N ATOM 566 CA THR A 38 -1.075 -12.593 6.925 1.00 0.00 C ATOM 567 C THR A 38 0.142 -13.509 6.740 1.00 0.00 C ATOM 568 O THR A 38 0.675 -13.637 5.639 1.00 0.00 O ATOM 569 CB THR A 38 -2.278 -13.391 7.455 1.00 0.00 C ATOM 570 OG1 THR A 38 -2.257 -13.441 8.870 1.00 0.00 O ATOM 571 CG2 THR A 38 -2.353 -14.822 6.953 1.00 0.00 C ATOM 0 H THR A 38 -1.554 -10.889 5.795 1.00 0.00 H new ATOM 0 HA THR A 38 -0.801 -11.836 7.660 1.00 0.00 H new ATOM 0 HB THR A 38 -3.149 -12.856 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.528 -14.334 9.170 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.231 -15.310 7.376 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.426 -14.823 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.456 -15.362 7.257 1.00 0.00 H new ATOM 579 N ASP A 39 0.573 -14.138 7.836 1.00 0.00 N ATOM 580 CA ASP A 39 1.725 -15.044 7.813 1.00 0.00 C ATOM 581 C ASP A 39 3.019 -14.302 7.471 1.00 0.00 C ATOM 582 O ASP A 39 4.060 -14.919 7.246 1.00 0.00 O ATOM 583 CB ASP A 39 1.492 -16.170 6.804 1.00 0.00 C ATOM 584 CG ASP A 39 2.418 -17.349 7.031 1.00 0.00 C ATOM 585 OD1 ASP A 39 2.173 -18.123 7.979 1.00 0.00 O ATOM 586 OD2 ASP A 39 3.389 -17.497 6.259 1.00 0.00 O ATOM 0 H ASP A 39 0.140 -14.036 8.754 1.00 0.00 H new ATOM 0 HA ASP A 39 1.832 -15.467 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.457 -16.506 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.638 -15.786 5.794 1.00 0.00 H new ATOM 591 N THR A 40 2.943 -12.977 7.431 1.00 0.00 N ATOM 592 CA THR A 40 4.097 -12.138 7.114 1.00 0.00 C ATOM 593 C THR A 40 5.095 -12.100 8.268 1.00 0.00 C ATOM 594 O THR A 40 6.269 -11.789 8.073 1.00 0.00 O ATOM 595 CB THR A 40 3.628 -10.725 6.766 1.00 0.00 C ATOM 596 OG1 THR A 40 3.582 -9.908 7.924 1.00 0.00 O ATOM 597 CG2 THR A 40 2.250 -10.706 6.132 1.00 0.00 C ATOM 0 H THR A 40 2.087 -12.455 7.616 1.00 0.00 H new ATOM 0 HA THR A 40 4.608 -12.571 6.254 1.00 0.00 H new ATOM 0 HB THR A 40 4.354 -10.341 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.648 -9.753 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.968 -9.678 5.906 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.265 -11.289 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.526 -11.138 6.823 1.00 0.00 H new ATOM 605 N SER A 41 4.619 -12.412 9.471 1.00 0.00 N ATOM 606 CA SER A 41 5.468 -12.409 10.661 1.00 0.00 C ATOM 607 C SER A 41 6.789 -13.139 10.414 1.00 0.00 C ATOM 608 O SER A 41 7.774 -12.907 11.116 1.00 0.00 O ATOM 609 CB SER A 41 4.731 -13.055 11.836 1.00 0.00 C ATOM 610 OG SER A 41 5.234 -12.585 13.074 1.00 0.00 O ATOM 0 H SER A 41 3.648 -12.671 9.648 1.00 0.00 H new ATOM 0 HA SER A 41 5.697 -11.370 10.900 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.666 -12.836 11.766 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.837 -14.139 11.785 1.00 0.00 H new ATOM 0 HG SER A 41 4.746 -13.012 13.809 1.00 0.00 H new ATOM 616 N LEU A 42 6.808 -14.021 9.417 1.00 0.00 N ATOM 617 CA LEU A 42 8.012 -14.776 9.091 1.00 0.00 C ATOM 618 C LEU A 42 8.996 -13.917 8.304 1.00 0.00 C ATOM 619 O LEU A 42 10.210 -14.106 8.391 1.00 0.00 O ATOM 620 CB LEU A 42 7.654 -16.028 8.289 1.00 0.00 C ATOM 621 CG LEU A 42 7.305 -17.258 9.133 1.00 0.00 C ATOM 622 CD1 LEU A 42 5.797 -17.455 9.192 1.00 0.00 C ATOM 623 CD2 LEU A 42 7.984 -18.501 8.575 1.00 0.00 C ATOM 0 H LEU A 42 6.005 -14.229 8.823 1.00 0.00 H new ATOM 0 HA LEU A 42 8.486 -15.076 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.807 -15.797 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.493 -16.278 7.639 1.00 0.00 H new ATOM 0 HG LEU A 42 7.671 -17.093 10.146 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.568 -18.333 9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.332 -16.576 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.409 -17.597 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.724 -19.364 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.650 -18.669 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.065 -18.361 8.586 1.00 0.00 H new ATOM 635 N VAL A 43 8.464 -12.969 7.539 1.00 0.00 N ATOM 636 CA VAL A 43 9.293 -12.076 6.737 1.00 0.00 C ATOM 637 C VAL A 43 9.521 -10.750 7.453 1.00 0.00 C ATOM 638 O VAL A 43 8.571 -10.055 7.811 1.00 0.00 O ATOM 639 CB VAL A 43 8.659 -11.801 5.359 1.00 0.00 C ATOM 640 CG1 VAL A 43 8.859 -12.988 4.431 1.00 0.00 C ATOM 641 CG2 VAL A 43 7.180 -11.471 5.503 1.00 0.00 C ATOM 0 H VAL A 43 7.462 -12.799 7.458 1.00 0.00 H new ATOM 0 HA VAL A 43 10.249 -12.579 6.592 1.00 0.00 H new ATOM 0 HB VAL A 43 9.158 -10.937 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.404 -12.774 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.925 -13.171 4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.391 -13.872 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.752 -11.280 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.663 -12.311 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.064 -10.585 6.127 1.00 0.00 H new ATOM 651 N GLU A 44 10.788 -10.404 7.662 1.00 0.00 N ATOM 652 CA GLU A 44 11.140 -9.161 8.340 1.00 0.00 C ATOM 653 C GLU A 44 11.829 -8.192 7.385 1.00 0.00 C ATOM 654 O GLU A 44 11.243 -7.194 6.966 1.00 0.00 O ATOM 655 CB GLU A 44 12.047 -9.448 9.539 1.00 0.00 C ATOM 656 CG GLU A 44 11.652 -8.687 10.794 1.00 0.00 C ATOM 657 CD GLU A 44 11.225 -9.603 11.925 1.00 0.00 C ATOM 658 OE1 GLU A 44 12.104 -10.040 12.699 1.00 0.00 O ATOM 659 OE2 GLU A 44 10.014 -9.884 12.037 1.00 0.00 O ATOM 0 H GLU A 44 11.588 -10.967 7.372 1.00 0.00 H new ATOM 0 HA GLU A 44 10.219 -8.697 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.028 -10.517 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.074 -9.193 9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.493 -8.077 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.836 -8.004 10.558 1.00 0.00 H new ATOM 666 N ALA A 45 13.077 -8.493 7.050 1.00 0.00 N ATOM 667 CA ALA A 45 13.852 -7.651 6.147 1.00 0.00 C ATOM 668 C ALA A 45 14.789 -8.490 5.287 1.00 0.00 C ATOM 669 O ALA A 45 15.961 -8.669 5.619 1.00 0.00 O ATOM 670 CB ALA A 45 14.639 -6.615 6.934 1.00 0.00 C ATOM 0 H ALA A 45 13.575 -9.315 7.391 1.00 0.00 H new ATOM 0 HA ALA A 45 13.157 -7.134 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.213 -5.994 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.950 -5.988 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.319 -7.119 7.621 1.00 0.00 H new ATOM 676 N ALA A 46 14.262 -9.004 4.181 1.00 0.00 N ATOM 677 CA ALA A 46 15.047 -9.826 3.270 1.00 0.00 C ATOM 678 C ALA A 46 15.557 -9.004 2.096 1.00 0.00 C ATOM 679 O ALA A 46 16.682 -9.190 1.633 1.00 0.00 O ATOM 680 CB ALA A 46 14.216 -11.000 2.773 1.00 0.00 C ATOM 0 H ALA A 46 13.293 -8.865 3.894 1.00 0.00 H new ATOM 0 HA ALA A 46 15.910 -10.210 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.814 -11.607 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.902 -11.608 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.336 -10.627 2.248 1.00 0.00 H new ATOM 686 N GLU A 47 14.717 -8.098 1.615 1.00 0.00 N ATOM 687 CA GLU A 47 15.069 -7.246 0.489 1.00 0.00 C ATOM 688 C GLU A 47 14.631 -5.813 0.741 1.00 0.00 C ATOM 689 O GLU A 47 13.898 -5.542 1.684 1.00 0.00 O ATOM 690 CB GLU A 47 14.401 -7.758 -0.783 1.00 0.00 C ATOM 691 CG GLU A 47 14.545 -9.255 -0.988 1.00 0.00 C ATOM 692 CD GLU A 47 15.819 -9.624 -1.724 1.00 0.00 C ATOM 693 OE1 GLU A 47 16.765 -8.809 -1.719 1.00 0.00 O ATOM 694 OE2 GLU A 47 15.870 -10.728 -2.306 1.00 0.00 O ATOM 0 H GLU A 47 13.783 -7.934 1.990 1.00 0.00 H new ATOM 0 HA GLU A 47 16.152 -7.271 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.341 -7.505 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.829 -7.240 -1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.533 -9.753 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.686 -9.625 -1.548 1.00 0.00 H new ATOM 701 N GLU A 48 15.072 -4.903 -0.117 1.00 0.00 N ATOM 702 CA GLU A 48 14.702 -3.501 0.005 1.00 0.00 C ATOM 703 C GLU A 48 14.481 -2.887 -1.372 1.00 0.00 C ATOM 704 O GLU A 48 15.351 -2.961 -2.239 1.00 0.00 O ATOM 705 CB GLU A 48 15.773 -2.720 0.768 1.00 0.00 C ATOM 706 CG GLU A 48 15.246 -1.456 1.431 1.00 0.00 C ATOM 707 CD GLU A 48 16.208 -0.895 2.461 1.00 0.00 C ATOM 708 OE1 GLU A 48 17.398 -0.720 2.128 1.00 0.00 O ATOM 709 OE2 GLU A 48 15.769 -0.632 3.600 1.00 0.00 O ATOM 0 H GLU A 48 15.686 -5.111 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 48 13.770 -3.444 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.209 -3.366 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.575 -2.453 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.056 -0.702 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.291 -1.672 1.910 1.00 0.00 H new ATOM 716 N ARG A 49 13.313 -2.284 -1.571 1.00 0.00 N ATOM 717 CA ARG A 49 12.990 -1.665 -2.852 1.00 0.00 C ATOM 718 C ARG A 49 12.510 -0.230 -2.661 1.00 0.00 C ATOM 719 O ARG A 49 11.662 0.046 -1.811 1.00 0.00 O ATOM 720 CB ARG A 49 11.921 -2.480 -3.589 1.00 0.00 C ATOM 721 CG ARG A 49 12.102 -3.988 -3.474 1.00 0.00 C ATOM 722 CD ARG A 49 12.758 -4.573 -4.716 1.00 0.00 C ATOM 723 NE ARG A 49 13.975 -3.852 -5.087 1.00 0.00 N ATOM 724 CZ ARG A 49 15.038 -4.423 -5.654 1.00 0.00 C ATOM 725 NH1 ARG A 49 15.040 -5.721 -5.934 1.00 0.00 N ATOM 726 NH2 ARG A 49 16.103 -3.690 -5.949 1.00 0.00 N ATOM 0 H ARG A 49 12.579 -2.211 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 49 13.899 -1.648 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.940 -2.211 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.930 -2.203 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.711 -4.216 -2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.132 -4.460 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.998 -5.621 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.052 -4.543 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 49 14.013 -2.850 -4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.223 -6.291 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.859 -6.148 -6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.108 -2.691 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 49 16.917 -4.125 -6.383 1.00 0.00 H new ATOM 740 N ARG A 50 13.056 0.678 -3.463 1.00 0.00 N ATOM 741 CA ARG A 50 12.687 2.085 -3.392 1.00 0.00 C ATOM 742 C ARG A 50 11.738 2.449 -4.530 1.00 0.00 C ATOM 743 O ARG A 50 11.873 1.950 -5.647 1.00 0.00 O ATOM 744 CB ARG A 50 13.937 2.967 -3.449 1.00 0.00 C ATOM 745 CG ARG A 50 14.366 3.503 -2.092 1.00 0.00 C ATOM 746 CD ARG A 50 13.748 4.863 -1.804 1.00 0.00 C ATOM 747 NE ARG A 50 14.759 5.913 -1.691 1.00 0.00 N ATOM 748 CZ ARG A 50 15.200 6.637 -2.719 1.00 0.00 C ATOM 749 NH1 ARG A 50 14.723 6.435 -3.941 1.00 0.00 N ATOM 750 NH2 ARG A 50 16.123 7.569 -2.524 1.00 0.00 N ATOM 0 H ARG A 50 13.758 0.463 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 50 12.177 2.258 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.757 2.393 -3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.749 3.806 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 50 14.074 2.798 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.453 3.583 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.048 5.118 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.174 4.812 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 50 15.151 6.103 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.013 5.720 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.067 6.994 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.494 7.731 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.461 8.124 -3.310 1.00 0.00 H new ATOM 764 N VAL A 51 10.774 3.316 -4.239 1.00 0.00 N ATOM 765 CA VAL A 51 9.802 3.737 -5.239 1.00 0.00 C ATOM 766 C VAL A 51 9.577 5.245 -5.199 1.00 0.00 C ATOM 767 O VAL A 51 9.630 5.866 -4.137 1.00 0.00 O ATOM 768 CB VAL A 51 8.450 3.026 -5.041 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.518 3.317 -6.207 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.656 1.528 -4.875 1.00 0.00 C ATOM 0 H VAL A 51 10.646 3.740 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 51 10.215 3.462 -6.210 1.00 0.00 H new ATOM 0 HB VAL A 51 7.987 3.410 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.568 2.806 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.346 4.391 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.972 2.962 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.691 1.041 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.140 1.126 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.285 1.341 -4.005 1.00 0.00 H new ATOM 780 N GLU A 52 9.307 5.820 -6.364 1.00 0.00 N ATOM 781 CA GLU A 52 9.049 7.246 -6.484 1.00 0.00 C ATOM 782 C GLU A 52 7.721 7.449 -7.183 1.00 0.00 C ATOM 783 O GLU A 52 7.358 6.672 -8.067 1.00 0.00 O ATOM 784 CB GLU A 52 10.173 7.939 -7.258 1.00 0.00 C ATOM 785 CG GLU A 52 11.176 8.652 -6.365 1.00 0.00 C ATOM 786 CD GLU A 52 12.074 9.599 -7.137 1.00 0.00 C ATOM 787 OE1 GLU A 52 11.565 10.622 -7.640 1.00 0.00 O ATOM 788 OE2 GLU A 52 13.286 9.316 -7.238 1.00 0.00 O ATOM 0 H GLU A 52 9.261 5.312 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 52 9.010 7.689 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.698 7.198 -7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.736 8.661 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.641 9.210 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.790 7.912 -5.852 1.00 0.00 H new ATOM 795 N ILE A 53 6.980 8.467 -6.781 1.00 0.00 N ATOM 796 CA ILE A 53 5.682 8.708 -7.383 1.00 0.00 C ATOM 797 C ILE A 53 5.411 10.184 -7.620 1.00 0.00 C ATOM 798 O ILE A 53 5.901 11.044 -6.891 1.00 0.00 O ATOM 799 CB ILE A 53 4.548 8.126 -6.521 1.00 0.00 C ATOM 800 CG1 ILE A 53 5.078 7.061 -5.552 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.494 7.541 -7.427 1.00 0.00 C ATOM 802 CD1 ILE A 53 3.995 6.199 -4.935 1.00 0.00 C ATOM 0 H ILE A 53 7.249 9.129 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 53 5.706 8.204 -8.349 1.00 0.00 H new ATOM 0 HB ILE A 53 4.113 8.925 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.781 6.419 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.635 7.554 -4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.686 7.126 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.098 8.322 -8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.935 6.752 -8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.449 5.471 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.304 6.829 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.453 5.676 -5.723 1.00 0.00 H new ATOM 814 N THR A 54 4.608 10.462 -8.643 1.00 0.00 N ATOM 815 CA THR A 54 4.244 11.829 -8.977 1.00 0.00 C ATOM 816 C THR A 54 2.729 12.008 -8.938 1.00 0.00 C ATOM 817 O THR A 54 1.998 11.430 -9.742 1.00 0.00 O ATOM 818 CB THR A 54 4.778 12.197 -10.363 1.00 0.00 C ATOM 819 OG1 THR A 54 4.234 13.429 -10.801 1.00 0.00 O ATOM 820 CG2 THR A 54 4.469 11.157 -11.417 1.00 0.00 C ATOM 0 H THR A 54 4.198 9.755 -9.254 1.00 0.00 H new ATOM 0 HA THR A 54 4.692 12.492 -8.237 1.00 0.00 H new ATOM 0 HB THR A 54 5.860 12.264 -10.247 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.589 13.647 -11.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.875 11.479 -12.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.920 10.206 -11.133 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.389 11.035 -11.503 1.00 0.00 H new ATOM 828 N SER A 55 2.275 12.824 -7.998 1.00 0.00 N ATOM 829 CA SER A 55 0.859 13.116 -7.828 1.00 0.00 C ATOM 830 C SER A 55 0.624 14.610 -7.984 1.00 0.00 C ATOM 831 O SER A 55 1.572 15.389 -7.944 1.00 0.00 O ATOM 832 CB SER A 55 0.379 12.645 -6.456 1.00 0.00 C ATOM 833 OG SER A 55 1.067 11.474 -6.056 1.00 0.00 O ATOM 0 H SER A 55 2.879 13.303 -7.330 1.00 0.00 H new ATOM 0 HA SER A 55 0.292 12.583 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.537 13.434 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.693 12.449 -6.488 1.00 0.00 H new ATOM 0 HG SER A 55 1.038 10.814 -6.780 1.00 0.00 H new ATOM 839 N GLU A 56 -0.624 15.016 -8.172 1.00 0.00 N ATOM 840 CA GLU A 56 -0.924 16.433 -8.332 1.00 0.00 C ATOM 841 C GLU A 56 -2.247 16.808 -7.673 1.00 0.00 C ATOM 842 O GLU A 56 -2.942 17.714 -8.131 1.00 0.00 O ATOM 843 CB GLU A 56 -0.940 16.812 -9.813 1.00 0.00 C ATOM 844 CG GLU A 56 0.209 17.722 -10.212 1.00 0.00 C ATOM 845 CD GLU A 56 0.731 17.428 -11.605 1.00 0.00 C ATOM 846 OE1 GLU A 56 -0.066 17.496 -12.563 1.00 0.00 O ATOM 847 OE2 GLU A 56 1.937 17.130 -11.736 1.00 0.00 O ATOM 0 H GLU A 56 -1.433 14.397 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.135 16.995 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.901 15.904 -10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.883 17.307 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.121 18.760 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.021 17.612 -9.493 1.00 0.00 H new ATOM 854 N ASP A 57 -2.590 16.114 -6.590 1.00 0.00 N ATOM 855 CA ASP A 57 -3.831 16.397 -5.876 1.00 0.00 C ATOM 856 C ASP A 57 -3.979 15.550 -4.610 1.00 0.00 C ATOM 857 O ASP A 57 -5.083 15.420 -4.082 1.00 0.00 O ATOM 858 CB ASP A 57 -5.030 16.160 -6.796 1.00 0.00 C ATOM 859 CG ASP A 57 -6.301 16.795 -6.266 1.00 0.00 C ATOM 860 OD1 ASP A 57 -6.330 18.036 -6.124 1.00 0.00 O ATOM 861 OD2 ASP A 57 -7.266 16.052 -5.993 1.00 0.00 O ATOM 0 H ASP A 57 -2.032 15.359 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.796 17.443 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.811 16.563 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.186 15.088 -6.916 1.00 0.00 H new ATOM 866 N ARG A 58 -2.874 14.985 -4.118 1.00 0.00 N ATOM 867 CA ARG A 58 -2.904 14.158 -2.909 1.00 0.00 C ATOM 868 C ARG A 58 -3.695 12.869 -3.135 1.00 0.00 C ATOM 869 O ARG A 58 -3.157 11.770 -3.004 1.00 0.00 O ATOM 870 CB ARG A 58 -3.506 14.941 -1.739 1.00 0.00 C ATOM 871 CG ARG A 58 -2.782 16.245 -1.444 1.00 0.00 C ATOM 872 CD ARG A 58 -3.572 17.112 -0.477 1.00 0.00 C ATOM 873 NE ARG A 58 -2.708 18.021 0.273 1.00 0.00 N ATOM 874 CZ ARG A 58 -3.143 19.116 0.892 1.00 0.00 C ATOM 875 NH1 ARG A 58 -4.429 19.442 0.854 1.00 0.00 N ATOM 876 NH2 ARG A 58 -2.289 19.887 1.553 1.00 0.00 N ATOM 0 H ARG A 58 -1.949 15.085 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.876 13.889 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.552 15.157 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.489 14.315 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.800 16.030 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.618 16.790 -2.373 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.313 17.689 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.118 16.475 0.218 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.713 17.803 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.090 18.852 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.756 20.282 1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.300 19.640 1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.622 20.726 2.028 1.00 0.00 H new ATOM 890 N VAL A 59 -4.975 13.010 -3.477 1.00 0.00 N ATOM 891 CA VAL A 59 -5.839 11.861 -3.722 1.00 0.00 C ATOM 892 C VAL A 59 -5.222 10.925 -4.755 1.00 0.00 C ATOM 893 O VAL A 59 -5.207 9.708 -4.574 1.00 0.00 O ATOM 894 CB VAL A 59 -7.231 12.311 -4.213 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.099 13.205 -5.435 1.00 0.00 C ATOM 896 CG2 VAL A 59 -8.117 11.110 -4.519 1.00 0.00 C ATOM 0 H VAL A 59 -5.436 13.913 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.948 11.329 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.705 12.883 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.090 13.514 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.511 14.087 -5.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.601 12.657 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.092 11.455 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.652 10.503 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.242 10.511 -3.617 1.00 0.00 H new ATOM 906 N SER A 60 -4.705 11.501 -5.834 1.00 0.00 N ATOM 907 CA SER A 60 -4.079 10.713 -6.887 1.00 0.00 C ATOM 908 C SER A 60 -2.874 9.960 -6.340 1.00 0.00 C ATOM 909 O SER A 60 -2.552 8.866 -6.803 1.00 0.00 O ATOM 910 CB SER A 60 -3.654 11.614 -8.048 1.00 0.00 C ATOM 911 OG SER A 60 -4.782 12.114 -8.746 1.00 0.00 O ATOM 0 H SER A 60 -4.707 12.507 -6.002 1.00 0.00 H new ATOM 0 HA SER A 60 -4.807 9.990 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.060 12.445 -7.669 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.018 11.054 -8.733 1.00 0.00 H new ATOM 0 HG SER A 60 -4.483 12.688 -9.482 1.00 0.00 H new ATOM 917 N LEU A 61 -2.214 10.547 -5.344 1.00 0.00 N ATOM 918 CA LEU A 61 -1.051 9.921 -4.731 1.00 0.00 C ATOM 919 C LEU A 61 -1.390 8.510 -4.262 1.00 0.00 C ATOM 920 O LEU A 61 -0.594 7.583 -4.416 1.00 0.00 O ATOM 921 CB LEU A 61 -0.557 10.758 -3.549 1.00 0.00 C ATOM 922 CG LEU A 61 0.959 10.751 -3.318 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.271 11.065 -1.867 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.564 9.409 -3.712 1.00 0.00 C ATOM 0 H LEU A 61 -2.466 11.452 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.259 9.862 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.879 11.789 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.046 10.399 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 61 1.403 11.521 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.351 11.057 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.877 12.050 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.810 10.315 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.640 9.430 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.115 8.617 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.370 9.218 -4.768 1.00 0.00 H new ATOM 936 N LEU A 62 -2.583 8.355 -3.696 1.00 0.00 N ATOM 937 CA LEU A 62 -3.035 7.056 -3.215 1.00 0.00 C ATOM 938 C LEU A 62 -3.366 6.137 -4.386 1.00 0.00 C ATOM 939 O LEU A 62 -2.947 4.980 -4.421 1.00 0.00 O ATOM 940 CB LEU A 62 -4.266 7.213 -2.316 1.00 0.00 C ATOM 941 CG LEU A 62 -4.462 6.104 -1.275 1.00 0.00 C ATOM 942 CD1 LEU A 62 -4.160 4.739 -1.879 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.578 6.355 -0.064 1.00 0.00 C ATOM 0 H LEU A 62 -3.253 9.112 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.227 6.611 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.197 8.169 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.153 7.257 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.504 6.113 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.305 3.967 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.831 4.556 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.128 4.716 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.728 5.560 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.533 6.372 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.839 7.314 0.384 1.00 0.00 H new ATOM 955 N TYR A 63 -4.120 6.663 -5.346 1.00 0.00 N ATOM 956 CA TYR A 63 -4.510 5.896 -6.523 1.00 0.00 C ATOM 957 C TYR A 63 -3.287 5.390 -7.277 1.00 0.00 C ATOM 958 O TYR A 63 -3.271 4.263 -7.770 1.00 0.00 O ATOM 959 CB TYR A 63 -5.376 6.753 -7.450 1.00 0.00 C ATOM 960 CG TYR A 63 -6.014 5.973 -8.577 1.00 0.00 C ATOM 961 CD1 TYR A 63 -6.842 4.890 -8.315 1.00 0.00 C ATOM 962 CD2 TYR A 63 -5.788 6.321 -9.902 1.00 0.00 C ATOM 963 CE1 TYR A 63 -7.428 4.175 -9.342 1.00 0.00 C ATOM 964 CE2 TYR A 63 -6.371 5.612 -10.935 1.00 0.00 C ATOM 965 CZ TYR A 63 -7.190 4.540 -10.650 1.00 0.00 C ATOM 966 OH TYR A 63 -7.773 3.832 -11.676 1.00 0.00 O ATOM 0 H TYR A 63 -4.474 7.620 -5.331 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.087 5.034 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.159 7.231 -6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.763 7.549 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.031 4.602 -7.292 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.146 7.159 -10.129 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.069 3.334 -9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.186 5.896 -11.960 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.504 4.219 -12.535 1.00 0.00 H new ATOM 976 N ASP A 64 -2.263 6.232 -7.361 1.00 0.00 N ATOM 977 CA ASP A 64 -1.032 5.870 -8.054 1.00 0.00 C ATOM 978 C ASP A 64 -0.126 5.020 -7.167 1.00 0.00 C ATOM 979 O ASP A 64 0.810 4.386 -7.653 1.00 0.00 O ATOM 980 CB ASP A 64 -0.288 7.129 -8.503 1.00 0.00 C ATOM 981 CG ASP A 64 -0.772 7.637 -9.847 1.00 0.00 C ATOM 982 OD1 ASP A 64 -0.393 7.043 -10.878 1.00 0.00 O ATOM 983 OD2 ASP A 64 -1.529 8.631 -9.869 1.00 0.00 O ATOM 0 H ASP A 64 -2.261 7.169 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.303 5.280 -8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.417 7.911 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.779 6.916 -8.561 1.00 0.00 H new ATOM 988 N TRP A 65 -0.402 5.013 -5.864 1.00 0.00 N ATOM 989 CA TRP A 65 0.401 4.241 -4.925 1.00 0.00 C ATOM 990 C TRP A 65 0.128 2.749 -5.068 1.00 0.00 C ATOM 991 O TRP A 65 1.049 1.952 -5.244 1.00 0.00 O ATOM 992 CB TRP A 65 0.111 4.685 -3.490 1.00 0.00 C ATOM 993 CG TRP A 65 0.561 3.699 -2.448 1.00 0.00 C ATOM 994 CD1 TRP A 65 -0.080 3.388 -1.283 1.00 0.00 C ATOM 995 CD2 TRP A 65 1.747 2.891 -2.481 1.00 0.00 C ATOM 996 NE1 TRP A 65 0.635 2.442 -0.590 1.00 0.00 N ATOM 997 CE2 TRP A 65 1.758 2.120 -1.304 1.00 0.00 C ATOM 998 CE3 TRP A 65 2.799 2.745 -3.389 1.00 0.00 C ATOM 999 CZ2 TRP A 65 2.780 1.219 -1.012 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 3.812 1.850 -3.099 1.00 0.00 C ATOM 1001 CH2 TRP A 65 3.795 1.095 -1.920 1.00 0.00 C ATOM 0 H TRP A 65 -1.171 5.531 -5.439 1.00 0.00 H new ATOM 0 HA TRP A 65 1.451 4.423 -5.153 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.603 5.641 -3.309 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.961 4.852 -3.381 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -1.013 3.822 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 65 0.372 2.044 0.311 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.820 3.322 -4.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 2.771 0.639 -0.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 4.630 1.731 -3.794 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.599 0.401 -1.724 1.00 0.00 H new ATOM 1012 N LEU A 66 -1.140 2.376 -4.985 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.518 0.978 -5.094 1.00 0.00 C ATOM 1014 C LEU A 66 -1.357 0.486 -6.525 1.00 0.00 C ATOM 1015 O LEU A 66 -0.972 -0.661 -6.753 1.00 0.00 O ATOM 1016 CB LEU A 66 -2.954 0.771 -4.597 1.00 0.00 C ATOM 1017 CG LEU A 66 -3.093 -0.088 -3.332 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.543 -0.496 -3.121 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.202 -1.321 -3.416 1.00 0.00 C ATOM 0 H LEU A 66 -1.919 3.018 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.853 0.389 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.398 1.747 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.534 0.309 -5.396 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.773 0.509 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.622 -1.104 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.160 0.396 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.887 -1.073 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.316 -1.915 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.489 -1.919 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.162 -1.012 -3.518 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.618 1.361 -7.491 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.459 0.995 -8.892 1.00 0.00 C ATOM 1033 C ASP A 67 -0.021 0.551 -9.130 1.00 0.00 C ATOM 1034 O ASP A 67 0.245 -0.354 -9.921 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.811 2.174 -9.804 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.972 1.863 -10.729 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -4.131 2.107 -10.330 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.722 1.376 -11.852 1.00 0.00 O ATOM 0 H ASP A 67 -1.937 2.317 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.138 0.176 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.060 3.041 -9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.938 2.443 -10.399 1.00 0.00 H new ATOM 1043 N GLU A 68 0.896 1.185 -8.405 1.00 0.00 N ATOM 1044 CA GLU A 68 2.309 0.856 -8.490 1.00 0.00 C ATOM 1045 C GLU A 68 2.550 -0.523 -7.893 1.00 0.00 C ATOM 1046 O GLU A 68 3.140 -1.399 -8.525 1.00 0.00 O ATOM 1047 CB GLU A 68 3.133 1.899 -7.734 1.00 0.00 C ATOM 1048 CG GLU A 68 4.318 2.432 -8.523 1.00 0.00 C ATOM 1049 CD GLU A 68 3.998 3.717 -9.259 1.00 0.00 C ATOM 1050 OE1 GLU A 68 3.186 3.672 -10.207 1.00 0.00 O ATOM 1051 OE2 GLU A 68 4.561 4.769 -8.890 1.00 0.00 O ATOM 0 H GLU A 68 0.680 1.935 -7.748 1.00 0.00 H new ATOM 0 HA GLU A 68 2.614 0.853 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.485 2.732 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.495 1.459 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.153 2.605 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.641 1.678 -9.240 1.00 0.00 H new ATOM 1058 N LEU A 69 2.068 -0.703 -6.667 1.00 0.00 N ATOM 1059 CA LEU A 69 2.202 -1.968 -5.960 1.00 0.00 C ATOM 1060 C LEU A 69 1.557 -3.098 -6.754 1.00 0.00 C ATOM 1061 O LEU A 69 1.990 -4.246 -6.682 1.00 0.00 O ATOM 1062 CB LEU A 69 1.571 -1.871 -4.568 1.00 0.00 C ATOM 1063 CG LEU A 69 2.383 -2.517 -3.443 1.00 0.00 C ATOM 1064 CD1 LEU A 69 1.624 -2.438 -2.126 1.00 0.00 C ATOM 1065 CD2 LEU A 69 2.710 -3.962 -3.785 1.00 0.00 C ATOM 0 H LEU A 69 1.577 0.020 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 69 3.264 -2.187 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.418 -0.819 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.586 -2.337 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 69 3.319 -1.969 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.216 -2.902 -1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.439 -1.394 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.673 -2.962 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.288 -4.406 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.785 -4.522 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.292 -3.995 -4.706 1.00 0.00 H new ATOM 1077 N LEU A 70 0.509 -2.764 -7.504 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.209 -3.751 -8.306 1.00 0.00 C ATOM 1079 C LEU A 70 0.746 -4.533 -9.208 1.00 0.00 C ATOM 1080 O LEU A 70 0.748 -5.764 -9.202 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.279 -3.060 -9.156 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.663 -3.711 -9.108 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -2.608 -5.126 -9.658 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.203 -3.709 -7.686 1.00 0.00 C ATOM 0 H LEU A 70 0.138 -1.816 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.687 -4.455 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.370 -2.025 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.940 -3.038 -10.192 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.339 -3.128 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.602 -5.572 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.266 -5.101 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.917 -5.722 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.188 -4.176 -7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.526 -4.267 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.282 -2.682 -7.328 1.00 0.00 H new ATOM 1096 N PHE A 71 1.559 -3.814 -9.976 1.00 0.00 N ATOM 1097 CA PHE A 71 2.518 -4.449 -10.874 1.00 0.00 C ATOM 1098 C PHE A 71 3.644 -5.108 -10.080 1.00 0.00 C ATOM 1099 O PHE A 71 4.035 -6.241 -10.355 1.00 0.00 O ATOM 1100 CB PHE A 71 3.097 -3.422 -11.847 1.00 0.00 C ATOM 1101 CG PHE A 71 3.734 -4.035 -13.062 1.00 0.00 C ATOM 1102 CD1 PHE A 71 4.860 -4.834 -12.942 1.00 0.00 C ATOM 1103 CD2 PHE A 71 3.205 -3.813 -14.324 1.00 0.00 C ATOM 1104 CE1 PHE A 71 5.447 -5.401 -14.058 1.00 0.00 C ATOM 1105 CE2 PHE A 71 3.789 -4.377 -15.444 1.00 0.00 C ATOM 1106 CZ PHE A 71 4.910 -5.171 -15.310 1.00 0.00 C ATOM 0 H PHE A 71 1.573 -2.794 -9.995 1.00 0.00 H new ATOM 0 HA PHE A 71 1.995 -5.219 -11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.302 -2.747 -12.165 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.838 -2.817 -11.325 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.284 -5.016 -11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.328 -3.193 -14.434 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.324 -6.023 -13.951 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.368 -4.196 -16.422 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.367 -5.612 -16.183 1.00 0.00 H new ATOM 1116 N ILE A 72 4.153 -4.384 -9.090 1.00 0.00 N ATOM 1117 CA ILE A 72 5.230 -4.882 -8.242 1.00 0.00 C ATOM 1118 C ILE A 72 4.803 -6.143 -7.494 1.00 0.00 C ATOM 1119 O ILE A 72 5.618 -7.027 -7.232 1.00 0.00 O ATOM 1120 CB ILE A 72 5.682 -3.818 -7.221 1.00 0.00 C ATOM 1121 CG1 ILE A 72 6.065 -2.522 -7.938 1.00 0.00 C ATOM 1122 CG2 ILE A 72 6.852 -4.334 -6.396 1.00 0.00 C ATOM 1123 CD1 ILE A 72 6.444 -1.400 -6.996 1.00 0.00 C ATOM 0 H ILE A 72 3.835 -3.444 -8.854 1.00 0.00 H new ATOM 0 HA ILE A 72 6.066 -5.119 -8.900 1.00 0.00 H new ATOM 0 HB ILE A 72 4.851 -3.610 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.901 -2.721 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.229 -2.198 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.158 -3.570 -5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.550 -5.234 -5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.687 -4.568 -7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.704 -0.513 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.602 -1.174 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.300 -1.704 -6.393 1.00 0.00 H new ATOM 1135 N HIS A 73 3.524 -6.208 -7.138 1.00 0.00 N ATOM 1136 CA HIS A 73 2.985 -7.348 -6.401 1.00 0.00 C ATOM 1137 C HIS A 73 3.376 -8.672 -7.052 1.00 0.00 C ATOM 1138 O HIS A 73 3.866 -9.575 -6.379 1.00 0.00 O ATOM 1139 CB HIS A 73 1.461 -7.245 -6.305 1.00 0.00 C ATOM 1140 CG HIS A 73 0.939 -7.367 -4.907 1.00 0.00 C ATOM 1141 ND1 HIS A 73 1.627 -6.908 -3.804 1.00 0.00 N ATOM 1142 CD2 HIS A 73 -0.214 -7.899 -4.435 1.00 0.00 C ATOM 1143 CE1 HIS A 73 0.922 -7.154 -2.714 1.00 0.00 C ATOM 1144 NE2 HIS A 73 -0.198 -7.753 -3.069 1.00 0.00 N ATOM 0 H HIS A 73 2.839 -5.482 -7.348 1.00 0.00 H new ATOM 0 HA HIS A 73 3.413 -7.325 -5.399 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.143 -6.289 -6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.013 -8.025 -6.921 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.999 -8.353 -5.022 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.213 -6.907 -1.704 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.934 -8.059 -2.432 1.00 0.00 H new ATOM 1153 N ASP A 74 3.164 -8.788 -8.356 1.00 0.00 N ATOM 1154 CA ASP A 74 3.511 -10.016 -9.063 1.00 0.00 C ATOM 1155 C ASP A 74 5.014 -10.139 -9.213 1.00 0.00 C ATOM 1156 O ASP A 74 5.564 -11.239 -9.128 1.00 0.00 O ATOM 1157 CB ASP A 74 2.828 -10.069 -10.431 1.00 0.00 C ATOM 1158 CG ASP A 74 3.080 -11.378 -11.153 1.00 0.00 C ATOM 1159 OD1 ASP A 74 4.260 -11.764 -11.290 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.096 -12.018 -11.581 1.00 0.00 O ATOM 0 H ASP A 74 2.759 -8.057 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 74 3.154 -10.859 -8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.755 -9.928 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.187 -9.243 -11.045 1.00 0.00 H new ATOM 1165 N THR A 75 5.687 -9.013 -9.400 1.00 0.00 N ATOM 1166 CA THR A 75 7.133 -9.031 -9.513 1.00 0.00 C ATOM 1167 C THR A 75 7.728 -9.507 -8.198 1.00 0.00 C ATOM 1168 O THR A 75 8.876 -9.948 -8.141 1.00 0.00 O ATOM 1169 CB THR A 75 7.672 -7.647 -9.880 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.948 -7.098 -10.967 1.00 0.00 O ATOM 1171 CG2 THR A 75 9.137 -7.660 -10.264 1.00 0.00 C ATOM 0 H THR A 75 5.260 -8.090 -9.475 1.00 0.00 H new ATOM 0 HA THR A 75 7.420 -9.716 -10.311 1.00 0.00 H new ATOM 0 HB THR A 75 7.552 -7.042 -8.981 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.099 -6.732 -10.643 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.457 -6.648 -10.513 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.729 -8.033 -9.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.281 -8.309 -11.128 1.00 0.00 H new ATOM 1179 N GLU A 76 6.917 -9.438 -7.147 1.00 0.00 N ATOM 1180 CA GLU A 76 7.328 -9.883 -5.835 1.00 0.00 C ATOM 1181 C GLU A 76 6.125 -10.039 -4.927 1.00 0.00 C ATOM 1182 O GLU A 76 5.862 -9.201 -4.065 1.00 0.00 O ATOM 1183 CB GLU A 76 8.347 -8.922 -5.221 1.00 0.00 C ATOM 1184 CG GLU A 76 8.034 -7.457 -5.473 1.00 0.00 C ATOM 1185 CD GLU A 76 9.208 -6.549 -5.162 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.329 -6.849 -5.625 1.00 0.00 O ATOM 1187 OE2 GLU A 76 9.008 -5.538 -4.457 1.00 0.00 O ATOM 0 H GLU A 76 5.965 -9.074 -7.187 1.00 0.00 H new ATOM 0 HA GLU A 76 7.809 -10.855 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.394 -9.095 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.334 -9.148 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.743 -7.325 -6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.180 -7.162 -4.864 1.00 0.00 H new ATOM 1194 N PHE A 77 5.402 -11.132 -5.129 1.00 0.00 N ATOM 1195 CA PHE A 77 4.223 -11.426 -4.333 1.00 0.00 C ATOM 1196 C PHE A 77 4.585 -11.442 -2.860 1.00 0.00 C ATOM 1197 O PHE A 77 5.011 -12.462 -2.333 1.00 0.00 O ATOM 1198 CB PHE A 77 3.626 -12.776 -4.739 1.00 0.00 C ATOM 1199 CG PHE A 77 2.891 -12.743 -6.049 1.00 0.00 C ATOM 1200 CD1 PHE A 77 1.651 -12.132 -6.147 1.00 0.00 C ATOM 1201 CD2 PHE A 77 3.438 -13.327 -7.180 1.00 0.00 C ATOM 1202 CE1 PHE A 77 0.971 -12.104 -7.350 1.00 0.00 C ATOM 1203 CE2 PHE A 77 2.763 -13.303 -8.386 1.00 0.00 C ATOM 1204 CZ PHE A 77 1.528 -12.691 -8.471 1.00 0.00 C ATOM 0 H PHE A 77 5.614 -11.831 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 77 3.479 -10.649 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.426 -13.513 -4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.943 -13.111 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.211 -11.673 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.404 -13.807 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.006 -11.624 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.201 -13.762 -9.260 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.998 -12.671 -9.412 1.00 0.00 H new ATOM 1214 N ILE A 78 4.427 -10.298 -2.206 1.00 0.00 N ATOM 1215 CA ILE A 78 4.756 -10.177 -0.793 1.00 0.00 C ATOM 1216 C ILE A 78 3.502 -9.975 0.049 1.00 0.00 C ATOM 1217 O ILE A 78 2.522 -9.383 -0.402 1.00 0.00 O ATOM 1218 CB ILE A 78 5.721 -9.002 -0.541 1.00 0.00 C ATOM 1219 CG1 ILE A 78 5.109 -7.695 -1.047 1.00 0.00 C ATOM 1220 CG2 ILE A 78 7.060 -9.262 -1.215 1.00 0.00 C ATOM 1221 CD1 ILE A 78 5.785 -6.458 -0.496 1.00 0.00 C ATOM 0 H ILE A 78 4.073 -9.441 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 78 5.241 -11.108 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 78 5.888 -8.912 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.164 -7.675 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.052 -7.671 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.730 -8.423 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.499 -10.175 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.911 -9.375 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.299 -5.569 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.707 -6.455 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.836 -6.459 -0.785 1.00 0.00 H new ATOM 1233 N LEU A 79 3.541 -10.490 1.272 1.00 0.00 N ATOM 1234 CA LEU A 79 2.408 -10.391 2.186 1.00 0.00 C ATOM 1235 C LEU A 79 2.339 -9.014 2.849 1.00 0.00 C ATOM 1236 O LEU A 79 1.582 -8.147 2.413 1.00 0.00 O ATOM 1237 CB LEU A 79 2.493 -11.491 3.250 1.00 0.00 C ATOM 1238 CG LEU A 79 2.604 -12.916 2.702 1.00 0.00 C ATOM 1239 CD1 LEU A 79 3.345 -13.807 3.687 1.00 0.00 C ATOM 1240 CD2 LEU A 79 1.225 -13.482 2.401 1.00 0.00 C ATOM 0 H LEU A 79 4.348 -10.982 1.655 1.00 0.00 H new ATOM 0 HA LEU A 79 1.495 -10.524 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.356 -11.294 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.609 -11.430 3.885 1.00 0.00 H new ATOM 0 HG LEU A 79 3.171 -12.885 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.415 -14.817 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.347 -13.412 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.804 -13.832 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.325 -14.496 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.632 -13.501 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.729 -12.856 1.659 1.00 0.00 H new ATOM 1252 N PHE A 80 3.129 -8.818 3.901 1.00 0.00 N ATOM 1253 CA PHE A 80 3.150 -7.548 4.616 1.00 0.00 C ATOM 1254 C PHE A 80 4.576 -7.143 4.936 1.00 0.00 C ATOM 1255 O PHE A 80 5.422 -7.983 5.244 1.00 0.00 O ATOM 1256 CB PHE A 80 2.333 -7.625 5.911 1.00 0.00 C ATOM 1257 CG PHE A 80 2.432 -6.390 6.765 1.00 0.00 C ATOM 1258 CD1 PHE A 80 2.297 -5.128 6.207 1.00 0.00 C ATOM 1259 CD2 PHE A 80 2.661 -6.494 8.128 1.00 0.00 C ATOM 1260 CE1 PHE A 80 2.389 -3.994 6.991 1.00 0.00 C ATOM 1261 CE2 PHE A 80 2.753 -5.363 8.918 1.00 0.00 C ATOM 1262 CZ PHE A 80 2.617 -4.112 8.349 1.00 0.00 C ATOM 0 H PHE A 80 3.763 -9.523 4.276 1.00 0.00 H new ATOM 0 HA PHE A 80 2.699 -6.797 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.287 -7.799 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.669 -8.485 6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.118 -5.030 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.769 -7.470 8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.283 -3.017 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.931 -5.458 9.979 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.689 -3.227 8.964 1.00 0.00 H new ATOM 1272 N SER A 81 4.830 -5.854 4.853 1.00 0.00 N ATOM 1273 CA SER A 81 6.146 -5.316 5.120 1.00 0.00 C ATOM 1274 C SER A 81 6.037 -3.869 5.572 1.00 0.00 C ATOM 1275 O SER A 81 5.001 -3.232 5.385 1.00 0.00 O ATOM 1276 CB SER A 81 7.019 -5.437 3.876 1.00 0.00 C ATOM 1277 OG SER A 81 6.375 -4.881 2.744 1.00 0.00 O ATOM 0 H SER A 81 4.133 -5.153 4.600 1.00 0.00 H new ATOM 0 HA SER A 81 6.613 -5.887 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.969 -4.929 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.248 -6.486 3.689 1.00 0.00 H new ATOM 0 HG SER A 81 5.671 -4.266 3.038 1.00 0.00 H new ATOM 1283 N LYS A 82 7.099 -3.349 6.172 1.00 0.00 N ATOM 1284 CA LYS A 82 7.085 -1.974 6.643 1.00 0.00 C ATOM 1285 C LYS A 82 7.332 -1.034 5.475 1.00 0.00 C ATOM 1286 O LYS A 82 8.338 -1.144 4.773 1.00 0.00 O ATOM 1287 CB LYS A 82 8.150 -1.768 7.723 1.00 0.00 C ATOM 1288 CG LYS A 82 8.132 -2.832 8.809 1.00 0.00 C ATOM 1289 CD LYS A 82 7.044 -2.562 9.838 1.00 0.00 C ATOM 1290 CE LYS A 82 7.611 -2.515 11.248 1.00 0.00 C ATOM 1291 NZ LYS A 82 8.832 -1.667 11.329 1.00 0.00 N ATOM 0 H LYS A 82 7.970 -3.852 6.342 1.00 0.00 H new ATOM 0 HA LYS A 82 6.109 -1.757 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.134 -1.757 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.005 -0.790 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.972 -3.811 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.102 -2.864 9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.553 -1.616 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.282 -3.339 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.854 -2.128 11.930 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.849 -3.526 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.881 -1.218 12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.675 -2.258 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.794 -0.932 10.594 1.00 0.00 H new ATOM 1305 N PHE A 83 6.386 -0.129 5.255 1.00 0.00 N ATOM 1306 CA PHE A 83 6.475 0.810 4.149 1.00 0.00 C ATOM 1307 C PHE A 83 6.859 2.201 4.626 1.00 0.00 C ATOM 1308 O PHE A 83 6.159 2.819 5.429 1.00 0.00 O ATOM 1309 CB PHE A 83 5.139 0.846 3.409 1.00 0.00 C ATOM 1310 CG PHE A 83 4.820 -0.445 2.711 1.00 0.00 C ATOM 1311 CD1 PHE A 83 4.230 -1.492 3.401 1.00 0.00 C ATOM 1312 CD2 PHE A 83 5.114 -0.614 1.368 1.00 0.00 C ATOM 1313 CE1 PHE A 83 3.942 -2.684 2.765 1.00 0.00 C ATOM 1314 CE2 PHE A 83 4.828 -1.804 0.726 1.00 0.00 C ATOM 1315 CZ PHE A 83 4.240 -2.840 1.425 1.00 0.00 C ATOM 0 H PHE A 83 5.549 -0.027 5.829 1.00 0.00 H new ATOM 0 HA PHE A 83 7.259 0.474 3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.343 1.076 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.157 1.654 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.993 -1.375 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.572 0.194 0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.484 -3.493 3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.064 -1.924 -0.321 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.014 -3.770 0.925 1.00 0.00 H new ATOM 1325 N LYS A 84 7.970 2.695 4.090 1.00 0.00 N ATOM 1326 CA LYS A 84 8.463 4.024 4.412 1.00 0.00 C ATOM 1327 C LYS A 84 8.104 4.947 3.262 1.00 0.00 C ATOM 1328 O LYS A 84 8.212 4.557 2.102 1.00 0.00 O ATOM 1329 CB LYS A 84 9.982 3.996 4.669 1.00 0.00 C ATOM 1330 CG LYS A 84 10.812 4.812 3.686 1.00 0.00 C ATOM 1331 CD LYS A 84 12.242 4.984 4.173 1.00 0.00 C ATOM 1332 CE LYS A 84 13.014 3.676 4.111 1.00 0.00 C ATOM 1333 NZ LYS A 84 14.195 3.683 5.018 1.00 0.00 N ATOM 0 H LYS A 84 8.550 2.186 3.423 1.00 0.00 H new ATOM 0 HA LYS A 84 8.000 4.390 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.172 4.365 5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.322 2.961 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.814 4.319 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.354 5.791 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.747 5.734 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.236 5.356 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.354 2.852 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.344 3.498 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.694 2.773 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.838 4.453 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.879 3.828 5.998 1.00 0.00 H new ATOM 1347 N VAL A 85 7.619 6.139 3.573 1.00 0.00 N ATOM 1348 CA VAL A 85 7.191 7.052 2.525 1.00 0.00 C ATOM 1349 C VAL A 85 7.708 8.467 2.697 1.00 0.00 C ATOM 1350 O VAL A 85 7.943 8.951 3.804 1.00 0.00 O ATOM 1351 CB VAL A 85 5.661 7.047 2.399 1.00 0.00 C ATOM 1352 CG1 VAL A 85 5.012 6.771 3.747 1.00 0.00 C ATOM 1353 CG2 VAL A 85 5.122 8.326 1.784 1.00 0.00 C ATOM 0 H VAL A 85 7.513 6.492 4.524 1.00 0.00 H new ATOM 0 HA VAL A 85 7.635 6.681 1.601 1.00 0.00 H new ATOM 0 HB VAL A 85 5.400 6.240 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.928 6.772 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.338 5.798 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.304 7.545 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.035 8.268 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.404 9.176 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.539 8.453 0.785 1.00 0.00 H new ATOM 1363 N LYS A 86 7.890 9.104 1.552 1.00 0.00 N ATOM 1364 CA LYS A 86 8.390 10.456 1.461 1.00 0.00 C ATOM 1365 C LYS A 86 7.484 11.290 0.560 1.00 0.00 C ATOM 1366 O LYS A 86 7.052 10.815 -0.482 1.00 0.00 O ATOM 1367 CB LYS A 86 9.796 10.402 0.863 1.00 0.00 C ATOM 1368 CG LYS A 86 10.742 11.457 1.413 1.00 0.00 C ATOM 1369 CD LYS A 86 11.615 10.901 2.530 1.00 0.00 C ATOM 1370 CE LYS A 86 11.392 11.644 3.838 1.00 0.00 C ATOM 1371 NZ LYS A 86 11.307 10.713 4.998 1.00 0.00 N ATOM 0 H LYS A 86 7.689 8.683 0.645 1.00 0.00 H new ATOM 0 HA LYS A 86 8.412 10.913 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.221 9.415 1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.725 10.521 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.375 11.833 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.166 12.303 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.396 9.842 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.664 10.975 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.207 12.350 3.998 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.473 12.227 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.155 11.258 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.514 10.055 4.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.193 10.175 5.077 1.00 0.00 H new ATOM 1385 N ILE A 87 7.212 12.532 0.935 1.00 0.00 N ATOM 1386 CA ILE A 87 6.378 13.395 0.101 1.00 0.00 C ATOM 1387 C ILE A 87 7.077 14.725 -0.149 1.00 0.00 C ATOM 1388 O ILE A 87 7.466 15.419 0.790 1.00 0.00 O ATOM 1389 CB ILE A 87 4.982 13.663 0.705 1.00 0.00 C ATOM 1390 CG1 ILE A 87 4.213 12.359 0.927 1.00 0.00 C ATOM 1391 CG2 ILE A 87 4.197 14.569 -0.227 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.819 12.566 1.491 1.00 0.00 C ATOM 0 H ILE A 87 7.549 12.962 1.796 1.00 0.00 H new ATOM 0 HA ILE A 87 6.230 12.859 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 87 5.112 14.146 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.137 11.825 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.780 11.723 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.211 14.760 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.728 15.513 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.087 14.085 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.332 11.600 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.888 13.072 2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.235 13.176 0.802 1.00 0.00 H new ATOM 1404 N ASP A 88 7.241 15.073 -1.421 1.00 0.00 N ATOM 1405 CA ASP A 88 7.900 16.313 -1.788 1.00 0.00 C ATOM 1406 C ASP A 88 7.108 17.069 -2.847 1.00 0.00 C ATOM 1407 O ASP A 88 6.784 16.522 -3.902 1.00 0.00 O ATOM 1408 CB ASP A 88 9.306 16.019 -2.312 1.00 0.00 C ATOM 1409 CG ASP A 88 10.238 15.523 -1.224 1.00 0.00 C ATOM 1410 OD1 ASP A 88 10.612 16.332 -0.349 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.595 14.326 -1.248 1.00 0.00 O ATOM 0 H ASP A 88 6.925 14.512 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 88 7.962 16.938 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.247 15.272 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.721 16.923 -2.757 1.00 0.00 H new ATOM 1416 N GLU A 89 6.825 18.335 -2.572 1.00 0.00 N ATOM 1417 CA GLU A 89 6.101 19.172 -3.516 1.00 0.00 C ATOM 1418 C GLU A 89 7.047 19.604 -4.615 1.00 0.00 C ATOM 1419 O GLU A 89 8.024 20.313 -4.374 1.00 0.00 O ATOM 1420 CB GLU A 89 5.509 20.395 -2.812 1.00 0.00 C ATOM 1421 CG GLU A 89 6.492 21.110 -1.901 1.00 0.00 C ATOM 1422 CD GLU A 89 6.140 22.569 -1.692 1.00 0.00 C ATOM 1423 OE1 GLU A 89 5.072 22.844 -1.104 1.00 0.00 O ATOM 1424 OE2 GLU A 89 6.930 23.438 -2.119 1.00 0.00 O ATOM 0 H GLU A 89 7.086 18.803 -1.704 1.00 0.00 H new ATOM 0 HA GLU A 89 5.277 18.602 -3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.148 21.097 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.645 20.083 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.520 20.605 -0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.493 21.039 -2.326 1.00 0.00 H new ATOM 1431 N LYS A 90 6.760 19.151 -5.822 1.00 0.00 N ATOM 1432 CA LYS A 90 7.593 19.466 -6.962 1.00 0.00 C ATOM 1433 C LYS A 90 7.371 20.898 -7.399 1.00 0.00 C ATOM 1434 O LYS A 90 6.749 21.682 -6.684 1.00 0.00 O ATOM 1435 CB LYS A 90 7.309 18.496 -8.114 1.00 0.00 C ATOM 1436 CG LYS A 90 7.844 17.091 -7.875 1.00 0.00 C ATOM 1437 CD LYS A 90 9.230 17.122 -7.249 1.00 0.00 C ATOM 1438 CE LYS A 90 10.129 16.038 -7.824 1.00 0.00 C ATOM 1439 NZ LYS A 90 11.485 16.559 -8.152 1.00 0.00 N ATOM 0 H LYS A 90 5.954 18.563 -6.035 1.00 0.00 H new ATOM 0 HA LYS A 90 8.638 19.356 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.232 18.443 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.750 18.893 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.161 16.546 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.882 16.549 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.684 18.099 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.146 16.991 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.217 15.221 -7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.671 15.625 -8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.067 15.790 -8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.403 17.321 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.932 16.930 -7.289 1.00 0.00 H new ATOM 1453 N ASP A 91 7.903 21.245 -8.560 1.00 0.00 N ATOM 1454 CA ASP A 91 7.780 22.595 -9.079 1.00 0.00 C ATOM 1455 C ASP A 91 6.323 23.078 -9.136 1.00 0.00 C ATOM 1456 O ASP A 91 6.060 24.189 -9.598 1.00 0.00 O ATOM 1457 CB ASP A 91 8.408 22.683 -10.471 1.00 0.00 C ATOM 1458 CG ASP A 91 9.857 23.127 -10.425 1.00 0.00 C ATOM 1459 OD1 ASP A 91 10.648 22.496 -9.692 1.00 0.00 O ATOM 1460 OD2 ASP A 91 10.201 24.105 -11.121 1.00 0.00 O ATOM 0 H ASP A 91 8.425 20.608 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 91 8.311 23.249 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.345 21.710 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.836 23.382 -11.081 1.00 0.00 H new ATOM 1465 N ASP A 92 5.375 22.255 -8.671 1.00 0.00 N ATOM 1466 CA ASP A 92 3.963 22.631 -8.682 1.00 0.00 C ATOM 1467 C ASP A 92 3.080 21.432 -8.347 1.00 0.00 C ATOM 1468 O ASP A 92 1.985 21.587 -7.806 1.00 0.00 O ATOM 1469 CB ASP A 92 3.567 23.200 -10.050 1.00 0.00 C ATOM 1470 CG ASP A 92 3.314 24.695 -10.001 1.00 0.00 C ATOM 1471 OD1 ASP A 92 3.797 25.349 -9.054 1.00 0.00 O ATOM 1472 OD2 ASP A 92 2.631 25.211 -10.911 1.00 0.00 O ATOM 0 H ASP A 92 5.562 21.330 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 92 3.815 23.399 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.358 22.991 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.670 22.693 -10.406 1.00 0.00 H new ATOM 1477 N GLY A 93 3.558 20.237 -8.681 1.00 0.00 N ATOM 1478 CA GLY A 93 2.794 19.034 -8.416 1.00 0.00 C ATOM 1479 C GLY A 93 3.132 18.389 -7.090 1.00 0.00 C ATOM 1480 O GLY A 93 3.416 19.072 -6.106 1.00 0.00 O ATOM 0 H GLY A 93 4.461 20.082 -9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.731 19.276 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.971 18.316 -9.217 1.00 0.00 H new ATOM 1484 N LEU A 94 3.070 17.063 -7.068 1.00 0.00 N ATOM 1485 CA LEU A 94 3.335 16.290 -5.865 1.00 0.00 C ATOM 1486 C LEU A 94 4.221 15.082 -6.171 1.00 0.00 C ATOM 1487 O LEU A 94 4.007 14.380 -7.155 1.00 0.00 O ATOM 1488 CB LEU A 94 1.999 15.815 -5.277 1.00 0.00 C ATOM 1489 CG LEU A 94 1.614 16.360 -3.898 1.00 0.00 C ATOM 1490 CD1 LEU A 94 1.993 15.366 -2.815 1.00 0.00 C ATOM 1491 CD2 LEU A 94 2.247 17.719 -3.626 1.00 0.00 C ATOM 0 H LEU A 94 2.835 16.496 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 94 3.861 16.921 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.207 16.078 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.023 14.727 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 94 0.533 16.500 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.714 15.766 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.469 14.425 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.069 15.192 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.948 18.068 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.333 17.629 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.914 18.433 -4.379 1.00 0.00 H new ATOM 1503 N HIS A 95 5.206 14.836 -5.314 1.00 0.00 N ATOM 1504 CA HIS A 95 6.106 13.698 -5.488 1.00 0.00 C ATOM 1505 C HIS A 95 6.172 12.868 -4.210 1.00 0.00 C ATOM 1506 O HIS A 95 6.193 13.415 -3.108 1.00 0.00 O ATOM 1507 CB HIS A 95 7.506 14.177 -5.883 1.00 0.00 C ATOM 1508 CG HIS A 95 7.833 13.946 -7.326 1.00 0.00 C ATOM 1509 ND1 HIS A 95 7.041 14.401 -8.361 1.00 0.00 N ATOM 1510 CD2 HIS A 95 8.874 13.303 -7.906 1.00 0.00 C ATOM 1511 CE1 HIS A 95 7.582 14.046 -9.514 1.00 0.00 C ATOM 1512 NE2 HIS A 95 8.694 13.381 -9.265 1.00 0.00 N ATOM 0 H HIS A 95 5.403 15.408 -4.492 1.00 0.00 H new ATOM 0 HA HIS A 95 5.715 13.071 -6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.592 15.242 -5.666 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.244 13.665 -5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.693 12.819 -7.395 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.182 14.263 -10.493 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.319 12.988 -9.969 1.00 0.00 H new ATOM 1521 N LEU A 96 6.207 11.547 -4.357 1.00 0.00 N ATOM 1522 CA LEU A 96 6.275 10.661 -3.202 1.00 0.00 C ATOM 1523 C LEU A 96 7.421 9.664 -3.331 1.00 0.00 C ATOM 1524 O LEU A 96 7.679 9.139 -4.414 1.00 0.00 O ATOM 1525 CB LEU A 96 4.960 9.908 -3.013 1.00 0.00 C ATOM 1526 CG LEU A 96 4.942 8.947 -1.823 1.00 0.00 C ATOM 1527 CD1 LEU A 96 3.562 8.900 -1.192 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.377 7.557 -2.252 1.00 0.00 C ATOM 0 H LEU A 96 6.190 11.070 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 96 6.456 11.286 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.156 10.633 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.745 9.345 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 96 5.648 9.315 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.571 8.211 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.287 9.896 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.836 8.560 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.358 6.888 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.697 7.183 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.389 7.601 -2.655 1.00 0.00 H new ATOM 1540 N THR A 97 8.086 9.386 -2.215 1.00 0.00 N ATOM 1541 CA THR A 97 9.183 8.425 -2.204 1.00 0.00 C ATOM 1542 C THR A 97 8.929 7.362 -1.147 1.00 0.00 C ATOM 1543 O THR A 97 8.808 7.661 0.034 1.00 0.00 O ATOM 1544 CB THR A 97 10.523 9.118 -1.966 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.434 10.501 -2.261 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.648 8.544 -2.799 1.00 0.00 C ATOM 0 H THR A 97 7.886 9.811 -1.309 1.00 0.00 H new ATOM 0 HA THR A 97 9.231 7.946 -3.182 1.00 0.00 H new ATOM 0 HB THR A 97 10.749 8.953 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.302 10.926 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.572 9.081 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.777 7.489 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.407 8.649 -3.857 1.00 0.00 H new ATOM 1554 N GLY A 98 8.832 6.125 -1.583 1.00 0.00 N ATOM 1555 CA GLY A 98 8.563 5.031 -0.665 1.00 0.00 C ATOM 1556 C GLY A 98 9.570 3.899 -0.740 1.00 0.00 C ATOM 1557 O GLY A 98 10.121 3.613 -1.801 1.00 0.00 O ATOM 0 H GLY A 98 8.934 5.849 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.545 5.421 0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.569 4.633 -0.871 1.00 0.00 H new ATOM 1561 N THR A 99 9.797 3.246 0.399 1.00 0.00 N ATOM 1562 CA THR A 99 10.729 2.124 0.477 1.00 0.00 C ATOM 1563 C THR A 99 10.043 0.900 1.079 1.00 0.00 C ATOM 1564 O THR A 99 9.246 1.023 2.010 1.00 0.00 O ATOM 1565 CB THR A 99 11.943 2.501 1.327 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.443 3.774 0.957 1.00 0.00 O ATOM 1567 CG2 THR A 99 13.081 1.510 1.214 1.00 0.00 C ATOM 0 H THR A 99 9.345 3.477 1.284 1.00 0.00 H new ATOM 0 HA THR A 99 11.060 1.884 -0.534 1.00 0.00 H new ATOM 0 HB THR A 99 11.584 2.504 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.423 3.752 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.911 1.836 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.742 0.528 1.542 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.411 1.452 0.177 1.00 0.00 H new ATOM 1575 N ALA A 100 10.355 -0.281 0.551 1.00 0.00 N ATOM 1576 CA ALA A 100 9.761 -1.517 1.053 1.00 0.00 C ATOM 1577 C ALA A 100 10.819 -2.601 1.253 1.00 0.00 C ATOM 1578 O ALA A 100 11.651 -2.839 0.377 1.00 0.00 O ATOM 1579 CB ALA A 100 8.675 -2.006 0.103 1.00 0.00 C ATOM 0 H ALA A 100 11.011 -0.408 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 100 9.313 -1.303 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.241 -2.928 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.897 -1.247 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.108 -2.193 -0.879 1.00 0.00 H new ATOM 1585 N MET A 101 10.777 -3.254 2.412 1.00 0.00 N ATOM 1586 CA MET A 101 11.726 -4.317 2.734 1.00 0.00 C ATOM 1587 C MET A 101 10.991 -5.557 3.243 1.00 0.00 C ATOM 1588 O MET A 101 9.938 -5.444 3.867 1.00 0.00 O ATOM 1589 CB MET A 101 12.733 -3.820 3.779 1.00 0.00 C ATOM 1590 CG MET A 101 13.587 -4.918 4.399 1.00 0.00 C ATOM 1591 SD MET A 101 15.337 -4.486 4.464 1.00 0.00 S ATOM 1592 CE MET A 101 16.072 -5.938 3.718 1.00 0.00 C ATOM 0 H MET A 101 10.094 -3.065 3.146 1.00 0.00 H new ATOM 0 HA MET A 101 12.267 -4.591 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.389 -3.085 3.313 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.191 -3.306 4.573 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.230 -5.124 5.408 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.465 -5.836 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 101 16.725 -6.427 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.285 -6.629 3.414 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.654 -5.643 2.845 1.00 0.00 H new ATOM 1602 N GLY A 102 11.537 -6.740 2.968 1.00 0.00 N ATOM 1603 CA GLY A 102 10.891 -7.964 3.406 1.00 0.00 C ATOM 1604 C GLY A 102 10.278 -8.715 2.246 1.00 0.00 C ATOM 1605 O GLY A 102 9.116 -9.119 2.297 1.00 0.00 O ATOM 0 H GLY A 102 12.408 -6.871 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.619 -8.601 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.117 -7.727 4.136 1.00 0.00 H new ATOM 1609 N GLU A 103 11.061 -8.885 1.189 1.00 0.00 N ATOM 1610 CA GLU A 103 10.596 -9.572 -0.005 1.00 0.00 C ATOM 1611 C GLU A 103 11.178 -10.980 -0.100 1.00 0.00 C ATOM 1612 O GLU A 103 12.390 -11.154 -0.233 1.00 0.00 O ATOM 1613 CB GLU A 103 10.975 -8.759 -1.241 1.00 0.00 C ATOM 1614 CG GLU A 103 10.261 -9.208 -2.505 1.00 0.00 C ATOM 1615 CD GLU A 103 11.211 -9.437 -3.664 1.00 0.00 C ATOM 1616 OE1 GLU A 103 12.262 -8.762 -3.714 1.00 0.00 O ATOM 1617 OE2 GLU A 103 10.905 -10.292 -4.522 1.00 0.00 O ATOM 0 H GLU A 103 12.025 -8.555 1.136 1.00 0.00 H new ATOM 0 HA GLU A 103 9.512 -9.666 0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.748 -7.709 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.051 -8.830 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.715 -10.129 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.524 -8.456 -2.788 1.00 0.00 H new ATOM 1624 N GLU A 104 10.302 -11.982 -0.037 1.00 0.00 N ATOM 1625 CA GLU A 104 10.723 -13.381 -0.121 1.00 0.00 C ATOM 1626 C GLU A 104 9.536 -14.325 0.068 1.00 0.00 C ATOM 1627 O GLU A 104 9.678 -15.404 0.644 1.00 0.00 O ATOM 1628 CB GLU A 104 11.796 -13.682 0.930 1.00 0.00 C ATOM 1629 CG GLU A 104 12.956 -14.506 0.397 1.00 0.00 C ATOM 1630 CD GLU A 104 13.578 -15.393 1.457 1.00 0.00 C ATOM 1631 OE1 GLU A 104 13.826 -14.894 2.576 1.00 0.00 O ATOM 1632 OE2 GLU A 104 13.816 -16.584 1.171 1.00 0.00 O ATOM 0 H GLU A 104 9.296 -11.852 0.072 1.00 0.00 H new ATOM 0 HA GLU A 104 11.140 -13.544 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.180 -12.741 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.337 -14.213 1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.607 -15.125 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.718 -13.837 -0.004 1.00 0.00 H new ATOM 1639 N ILE A 105 8.365 -13.915 -0.412 1.00 0.00 N ATOM 1640 CA ILE A 105 7.160 -14.724 -0.284 1.00 0.00 C ATOM 1641 C ILE A 105 6.905 -15.561 -1.535 1.00 0.00 C ATOM 1642 O ILE A 105 7.059 -15.083 -2.658 1.00 0.00 O ATOM 1643 CB ILE A 105 5.928 -13.841 -0.014 1.00 0.00 C ATOM 1644 CG1 ILE A 105 6.148 -12.983 1.235 1.00 0.00 C ATOM 1645 CG2 ILE A 105 4.677 -14.696 0.141 1.00 0.00 C ATOM 1646 CD1 ILE A 105 6.696 -13.754 2.419 1.00 0.00 C ATOM 0 H ILE A 105 8.227 -13.026 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 105 7.322 -15.394 0.561 1.00 0.00 H new ATOM 0 HB ILE A 105 5.787 -13.179 -0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.836 -12.173 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.202 -12.523 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.818 -14.053 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.509 -15.265 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.807 -15.384 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 105 6.825 -13.079 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.999 -14.547 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 105 7.659 -14.192 2.154 1.00 0.00 H new ATOM 1658 N LYS A 106 6.503 -16.811 -1.327 1.00 0.00 N ATOM 1659 CA LYS A 106 6.211 -17.719 -2.430 1.00 0.00 C ATOM 1660 C LYS A 106 4.765 -17.547 -2.892 1.00 0.00 C ATOM 1661 O LYS A 106 3.973 -16.871 -2.236 1.00 0.00 O ATOM 1662 CB LYS A 106 6.455 -19.169 -2.002 1.00 0.00 C ATOM 1663 CG LYS A 106 7.112 -20.022 -3.077 1.00 0.00 C ATOM 1664 CD LYS A 106 7.058 -21.502 -2.724 1.00 0.00 C ATOM 1665 CE LYS A 106 6.617 -22.346 -3.909 1.00 0.00 C ATOM 1666 NZ LYS A 106 7.758 -23.081 -4.523 1.00 0.00 N ATOM 0 H LYS A 106 6.372 -17.219 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 106 6.875 -17.480 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.084 -19.175 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.503 -19.621 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.612 -19.856 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.150 -19.714 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.041 -21.832 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.369 -21.653 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.859 -23.059 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.153 -21.705 -4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.415 -23.644 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.471 -22.400 -4.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.186 -23.712 -3.815 1.00 0.00 H new ATOM 1680 N GLU A 107 4.429 -18.159 -4.022 1.00 0.00 N ATOM 1681 CA GLU A 107 3.078 -18.066 -4.567 1.00 0.00 C ATOM 1682 C GLU A 107 2.057 -18.684 -3.616 1.00 0.00 C ATOM 1683 O GLU A 107 2.240 -19.802 -3.133 1.00 0.00 O ATOM 1684 CB GLU A 107 3.007 -18.761 -5.927 1.00 0.00 C ATOM 1685 CG GLU A 107 4.018 -18.236 -6.933 1.00 0.00 C ATOM 1686 CD GLU A 107 3.707 -18.671 -8.352 1.00 0.00 C ATOM 1687 OE1 GLU A 107 3.755 -19.889 -8.623 1.00 0.00 O ATOM 1688 OE2 GLU A 107 3.416 -17.794 -9.192 1.00 0.00 O ATOM 0 H GLU A 107 5.071 -18.724 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 107 2.838 -17.010 -4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 107 3.167 -19.830 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.004 -18.640 -6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.039 -17.147 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.013 -18.586 -6.659 1.00 0.00 H new ATOM 1695 N GLY A 108 0.978 -17.950 -3.356 1.00 0.00 N ATOM 1696 CA GLY A 108 -0.064 -18.440 -2.467 1.00 0.00 C ATOM 1697 C GLY A 108 0.481 -18.942 -1.144 1.00 0.00 C ATOM 1698 O GLY A 108 0.125 -20.029 -0.691 1.00 0.00 O ATOM 0 H GLY A 108 0.806 -17.023 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.781 -17.641 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.607 -19.246 -2.960 1.00 0.00 H new ATOM 1702 N HIS A 109 1.348 -18.149 -0.525 1.00 0.00 N ATOM 1703 CA HIS A 109 1.946 -18.521 0.753 1.00 0.00 C ATOM 1704 C HIS A 109 1.026 -18.169 1.920 1.00 0.00 C ATOM 1705 O HIS A 109 0.911 -17.006 2.305 1.00 0.00 O ATOM 1706 CB HIS A 109 3.296 -17.827 0.929 1.00 0.00 C ATOM 1707 CG HIS A 109 4.122 -18.400 2.038 1.00 0.00 C ATOM 1708 ND1 HIS A 109 5.496 -18.291 2.088 1.00 0.00 N ATOM 1709 CD2 HIS A 109 3.761 -19.091 3.145 1.00 0.00 C ATOM 1710 CE1 HIS A 109 5.944 -18.891 3.177 1.00 0.00 C ATOM 1711 NE2 HIS A 109 4.912 -19.384 3.835 1.00 0.00 N ATOM 0 H HIS A 109 1.653 -17.245 -0.886 1.00 0.00 H new ATOM 0 HA HIS A 109 2.094 -19.601 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 109 3.856 -17.897 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 109 3.128 -16.767 1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 109 2.756 -19.361 3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 109 6.979 -18.965 3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 109 4.961 -19.899 4.714 1.00 0.00 H new ATOM 1720 N GLU A 110 0.383 -19.186 2.485 1.00 0.00 N ATOM 1721 CA GLU A 110 -0.520 -18.994 3.617 1.00 0.00 C ATOM 1722 C GLU A 110 -1.632 -18.003 3.286 1.00 0.00 C ATOM 1723 O GLU A 110 -1.439 -16.789 3.357 1.00 0.00 O ATOM 1724 CB GLU A 110 0.263 -18.506 4.838 1.00 0.00 C ATOM 1725 CG GLU A 110 -0.200 -19.129 6.144 1.00 0.00 C ATOM 1726 CD GLU A 110 0.440 -20.477 6.407 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.046 -21.460 5.745 1.00 0.00 O ATOM 1728 OE2 GLU A 110 1.336 -20.550 7.275 1.00 0.00 O ATOM 0 H GLU A 110 0.470 -20.155 2.177 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.981 -19.956 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.320 -18.728 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.171 -17.422 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.033 -18.454 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.284 -19.244 6.123 1.00 0.00 H new ATOM 1735 N ARG A 111 -2.801 -18.530 2.934 1.00 0.00 N ATOM 1736 CA ARG A 111 -3.952 -17.696 2.604 1.00 0.00 C ATOM 1737 C ARG A 111 -5.013 -17.782 3.698 1.00 0.00 C ATOM 1738 O ARG A 111 -5.476 -18.870 4.039 1.00 0.00 O ATOM 1739 CB ARG A 111 -4.550 -18.123 1.261 1.00 0.00 C ATOM 1740 CG ARG A 111 -3.587 -17.984 0.094 1.00 0.00 C ATOM 1741 CD ARG A 111 -3.424 -16.532 -0.324 1.00 0.00 C ATOM 1742 NE ARG A 111 -2.717 -16.403 -1.596 1.00 0.00 N ATOM 1743 CZ ARG A 111 -3.256 -16.701 -2.777 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -4.505 -17.144 -2.850 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -2.545 -16.555 -3.885 1.00 0.00 N ATOM 0 H ARG A 111 -2.976 -19.533 2.870 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.614 -16.663 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.875 -19.161 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.438 -17.524 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.616 -18.395 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.951 -18.568 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.406 -16.066 -0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.879 -15.991 0.450 1.00 0.00 H new ATOM 0 HE ARG A 111 -1.755 -16.065 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.056 -17.258 -1.999 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.913 -17.371 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.585 -16.214 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.958 -16.783 -4.789 1.00 0.00 H new ATOM 1759 N ARG A 112 -5.394 -16.631 4.247 1.00 0.00 N ATOM 1760 CA ARG A 112 -6.400 -16.589 5.305 1.00 0.00 C ATOM 1761 C ARG A 112 -7.680 -15.912 4.822 1.00 0.00 C ATOM 1762 O ARG A 112 -8.779 -16.264 5.251 1.00 0.00 O ATOM 1763 CB ARG A 112 -5.851 -15.861 6.536 1.00 0.00 C ATOM 1764 CG ARG A 112 -5.638 -14.368 6.333 1.00 0.00 C ATOM 1765 CD ARG A 112 -6.129 -13.563 7.527 1.00 0.00 C ATOM 1766 NE ARG A 112 -5.245 -13.698 8.683 1.00 0.00 N ATOM 1767 CZ ARG A 112 -5.484 -14.503 9.719 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -6.579 -15.252 9.756 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -4.619 -14.559 10.724 1.00 0.00 N ATOM 0 H ARG A 112 -5.024 -15.719 3.978 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.641 -17.616 5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.539 -16.009 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -4.903 -16.317 6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.578 -14.170 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -6.163 -14.044 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -6.203 -12.512 7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -7.132 -13.893 7.798 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.391 -13.141 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.248 -15.216 8.987 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.751 -15.864 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.774 -13.987 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.799 -15.174 11.518 1.00 0.00 H new ATOM 1783 N ASP A 113 -7.530 -14.941 3.928 1.00 0.00 N ATOM 1784 CA ASP A 113 -8.673 -14.215 3.388 1.00 0.00 C ATOM 1785 C ASP A 113 -8.760 -14.396 1.877 1.00 0.00 C ATOM 1786 O ASP A 113 -7.775 -14.743 1.225 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.572 -12.728 3.735 1.00 0.00 C ATOM 1788 CG ASP A 113 -9.332 -12.376 4.998 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -9.530 -13.276 5.843 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -9.731 -11.202 5.144 1.00 0.00 O ATOM 0 H ASP A 113 -6.627 -14.638 3.562 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.579 -14.621 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.523 -12.457 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -8.959 -12.137 2.905 1.00 0.00 H new ATOM 1795 N GLU A 114 -9.946 -14.165 1.323 1.00 0.00 N ATOM 1796 CA GLU A 114 -10.159 -14.313 -0.111 1.00 0.00 C ATOM 1797 C GLU A 114 -10.534 -12.984 -0.758 1.00 0.00 C ATOM 1798 O GLU A 114 -11.662 -12.514 -0.625 1.00 0.00 O ATOM 1799 CB GLU A 114 -11.253 -15.347 -0.378 1.00 0.00 C ATOM 1800 CG GLU A 114 -11.229 -15.908 -1.790 1.00 0.00 C ATOM 1801 CD GLU A 114 -12.192 -17.064 -1.974 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -13.363 -16.934 -1.561 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -11.774 -18.101 -2.533 1.00 0.00 O ATOM 0 H GLU A 114 -10.773 -13.875 1.845 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.223 -14.654 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.147 -16.167 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.225 -14.890 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.479 -15.116 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.219 -16.240 -2.028 1.00 0.00 H new ATOM 1810 N VAL A 115 -9.582 -12.389 -1.470 1.00 0.00 N ATOM 1811 CA VAL A 115 -9.813 -11.122 -2.155 1.00 0.00 C ATOM 1812 C VAL A 115 -9.807 -11.330 -3.666 1.00 0.00 C ATOM 1813 O VAL A 115 -8.767 -11.610 -4.262 1.00 0.00 O ATOM 1814 CB VAL A 115 -8.752 -10.068 -1.776 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -7.361 -10.522 -2.196 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -9.090 -8.722 -2.398 1.00 0.00 C ATOM 0 H VAL A 115 -8.641 -12.765 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 115 -10.789 -10.753 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.756 -9.956 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.631 -9.762 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.118 -11.459 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.337 -10.670 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -8.330 -7.991 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -9.119 -8.820 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.063 -8.389 -2.038 1.00 0.00 H new ATOM 1826 N LYS A 116 -10.978 -11.207 -4.275 1.00 0.00 N ATOM 1827 CA LYS A 116 -11.117 -11.397 -5.713 1.00 0.00 C ATOM 1828 C LYS A 116 -10.240 -10.425 -6.492 1.00 0.00 C ATOM 1829 O LYS A 116 -9.844 -10.711 -7.622 1.00 0.00 O ATOM 1830 CB LYS A 116 -12.578 -11.231 -6.134 1.00 0.00 C ATOM 1831 CG LYS A 116 -13.356 -12.537 -6.153 1.00 0.00 C ATOM 1832 CD LYS A 116 -14.843 -12.301 -5.951 1.00 0.00 C ATOM 1833 CE LYS A 116 -15.673 -13.429 -6.544 1.00 0.00 C ATOM 1834 NZ LYS A 116 -16.146 -14.380 -5.502 1.00 0.00 N ATOM 0 H LYS A 116 -11.848 -10.976 -3.795 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.789 -12.410 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.068 -10.536 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -12.613 -10.782 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -13.193 -13.045 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.981 -13.197 -5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.057 -12.212 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.128 -11.356 -6.413 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.531 -13.010 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.079 -13.967 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.708 -15.133 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.327 -14.800 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.735 -13.873 -4.811 1.00 0.00 H new ATOM 1848 N ALA A 117 -9.939 -9.273 -5.896 1.00 0.00 N ATOM 1849 CA ALA A 117 -9.109 -8.274 -6.566 1.00 0.00 C ATOM 1850 C ALA A 117 -9.064 -6.968 -5.783 1.00 0.00 C ATOM 1851 O ALA A 117 -9.622 -6.864 -4.691 1.00 0.00 O ATOM 1852 CB ALA A 117 -9.629 -8.018 -7.974 1.00 0.00 C ATOM 0 H ALA A 117 -10.253 -9.010 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.094 -8.668 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.003 -7.272 -8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.602 -8.946 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.655 -7.653 -7.922 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.397 -5.972 -6.358 1.00 0.00 N ATOM 1859 CA VAL A 118 -8.280 -4.666 -5.725 1.00 0.00 C ATOM 1860 C VAL A 118 -9.025 -3.605 -6.527 1.00 0.00 C ATOM 1861 O VAL A 118 -8.599 -3.224 -7.618 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.807 -4.240 -5.579 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.692 -2.985 -4.725 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -5.979 -5.374 -4.992 1.00 0.00 C ATOM 0 H VAL A 118 -7.930 -6.046 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.724 -4.753 -4.733 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.415 -4.010 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.643 -2.701 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.248 -2.173 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.102 -3.180 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -4.941 -5.055 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.369 -5.639 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.032 -6.242 -5.650 1.00 0.00 H new ATOM 1874 N THR A 119 -10.141 -3.131 -5.984 1.00 0.00 N ATOM 1875 CA THR A 119 -10.943 -2.114 -6.653 1.00 0.00 C ATOM 1876 C THR A 119 -10.901 -0.796 -5.889 1.00 0.00 C ATOM 1877 O THR A 119 -11.544 -0.647 -4.851 1.00 0.00 O ATOM 1878 CB THR A 119 -12.390 -2.589 -6.800 1.00 0.00 C ATOM 1879 OG1 THR A 119 -12.436 -3.895 -7.346 1.00 0.00 O ATOM 1880 CG2 THR A 119 -13.227 -1.692 -7.686 1.00 0.00 C ATOM 0 H THR A 119 -10.510 -3.435 -5.083 1.00 0.00 H new ATOM 0 HA THR A 119 -10.521 -1.950 -7.644 1.00 0.00 H new ATOM 0 HB THR A 119 -12.805 -2.567 -5.792 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.369 -4.182 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 119 -14.242 -2.086 -7.748 1.00 0.00 H new ATOM 0 HG22 THR A 119 -13.253 -0.687 -7.265 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.790 -1.657 -8.684 1.00 0.00 H new ATOM 1888 N PHE A 120 -10.139 0.159 -6.418 1.00 0.00 N ATOM 1889 CA PHE A 120 -9.996 1.480 -5.804 1.00 0.00 C ATOM 1890 C PHE A 120 -11.308 1.967 -5.187 1.00 0.00 C ATOM 1891 O PHE A 120 -12.190 2.453 -5.896 1.00 0.00 O ATOM 1892 CB PHE A 120 -9.523 2.491 -6.852 1.00 0.00 C ATOM 1893 CG PHE A 120 -10.335 2.479 -8.116 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -10.074 1.556 -9.117 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -11.360 3.393 -8.304 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -10.819 1.545 -10.280 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -12.107 3.387 -9.466 1.00 0.00 C ATOM 1898 CZ PHE A 120 -11.837 2.462 -10.455 1.00 0.00 C ATOM 0 H PHE A 120 -9.606 0.042 -7.279 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.259 1.393 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -9.556 3.491 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.481 2.285 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.279 0.837 -8.986 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -11.577 4.118 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.606 0.820 -11.052 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -12.902 4.106 -9.601 1.00 0.00 H new ATOM 0 HZ PHE A 120 -12.421 2.456 -11.364 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.425 1.865 -3.862 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.627 2.334 -3.172 1.00 0.00 C ATOM 1910 C HIS A 121 -12.845 3.791 -3.537 1.00 0.00 C ATOM 1911 O HIS A 121 -13.967 4.282 -3.656 1.00 0.00 O ATOM 1912 CB HIS A 121 -12.481 2.234 -1.649 1.00 0.00 C ATOM 1913 CG HIS A 121 -13.673 2.742 -0.898 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -14.850 3.112 -1.515 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -13.867 2.937 0.427 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -15.716 3.513 -0.602 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -15.145 3.415 0.585 1.00 0.00 N ATOM 0 H HIS A 121 -10.711 1.467 -3.252 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.467 1.710 -3.478 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.307 1.193 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -11.600 2.796 -1.339 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -15.024 3.081 -2.520 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -13.151 2.751 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -16.720 3.862 -0.793 1.00 0.00 H new ATOM 1926 N MET A 122 -11.714 4.452 -3.702 1.00 0.00 N ATOM 1927 CA MET A 122 -11.634 5.852 -4.047 1.00 0.00 C ATOM 1928 C MET A 122 -10.163 6.247 -4.067 1.00 0.00 C ATOM 1929 O MET A 122 -9.747 7.104 -4.846 1.00 0.00 O ATOM 1930 CB MET A 122 -12.413 6.711 -3.046 1.00 0.00 C ATOM 1931 CG MET A 122 -13.386 7.676 -3.702 1.00 0.00 C ATOM 1932 SD MET A 122 -12.635 9.271 -4.080 1.00 0.00 S ATOM 1933 CE MET A 122 -12.665 9.243 -5.871 1.00 0.00 C ATOM 0 H MET A 122 -10.800 4.012 -3.595 1.00 0.00 H new ATOM 0 HA MET A 122 -12.082 6.018 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.963 6.057 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.707 7.277 -2.438 1.00 0.00 H new ATOM 0 HG2 MET A 122 -13.768 7.232 -4.621 1.00 0.00 H new ATOM 0 HG3 MET A 122 -14.240 7.828 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 122 -12.232 10.166 -6.257 1.00 0.00 H new ATOM 0 HE2 MET A 122 -12.086 8.392 -6.231 1.00 0.00 H new ATOM 0 HE3 MET A 122 -13.695 9.154 -6.216 1.00 0.00 H new ATOM 1943 N MET A 123 -9.372 5.595 -3.200 1.00 0.00 N ATOM 1944 CA MET A 123 -7.946 5.860 -3.123 1.00 0.00 C ATOM 1945 C MET A 123 -7.710 7.346 -2.959 1.00 0.00 C ATOM 1946 O MET A 123 -7.057 7.987 -3.782 1.00 0.00 O ATOM 1947 CB MET A 123 -7.241 5.334 -4.376 1.00 0.00 C ATOM 1948 CG MET A 123 -7.554 3.880 -4.684 1.00 0.00 C ATOM 1949 SD MET A 123 -6.175 2.779 -4.311 1.00 0.00 S ATOM 1950 CE MET A 123 -5.615 2.366 -5.961 1.00 0.00 C ATOM 0 H MET A 123 -9.705 4.884 -2.548 1.00 0.00 H new ATOM 0 HA MET A 123 -7.532 5.343 -2.257 1.00 0.00 H new ATOM 0 HB2 MET A 123 -7.529 5.948 -5.230 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.164 5.447 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.427 3.571 -4.109 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.816 3.784 -5.738 1.00 0.00 H new ATOM 0 HE1 MET A 123 -5.533 1.283 -6.057 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.330 2.742 -6.693 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.641 2.821 -6.139 1.00 0.00 H new ATOM 1960 N GLU A 124 -8.266 7.887 -1.886 1.00 0.00 N ATOM 1961 CA GLU A 124 -8.137 9.304 -1.603 1.00 0.00 C ATOM 1962 C GLU A 124 -7.776 9.516 -0.149 1.00 0.00 C ATOM 1963 O GLU A 124 -8.356 8.894 0.741 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.441 10.033 -1.935 1.00 0.00 C ATOM 1965 CG GLU A 124 -10.622 9.589 -1.083 1.00 0.00 C ATOM 1966 CD GLU A 124 -11.257 10.735 -0.321 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -11.123 11.893 -0.769 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -11.890 10.475 0.723 1.00 0.00 O ATOM 0 H GLU A 124 -8.810 7.365 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.341 9.712 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.292 11.105 -1.804 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.681 9.871 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -11.372 9.124 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -10.290 8.828 -0.377 1.00 0.00 H new ATOM 1975 N ILE A 125 -6.814 10.389 0.094 1.00 0.00 N ATOM 1976 CA ILE A 125 -6.392 10.659 1.451 1.00 0.00 C ATOM 1977 C ILE A 125 -7.092 11.894 1.996 1.00 0.00 C ATOM 1978 O ILE A 125 -6.852 13.013 1.542 1.00 0.00 O ATOM 1979 CB ILE A 125 -4.868 10.855 1.542 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -4.137 9.714 0.832 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -4.434 10.944 2.997 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -2.935 10.171 0.034 1.00 0.00 C ATOM 0 H ILE A 125 -6.317 10.916 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.666 9.791 2.051 1.00 0.00 H new ATOM 0 HB ILE A 125 -4.608 11.789 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.814 8.983 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.834 9.206 0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.354 11.083 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.931 11.789 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.706 10.024 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.466 9.310 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.254 10.879 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.219 10.653 0.699 1.00 0.00 H new ATOM 1994 N LEU A 126 -7.956 11.681 2.980 1.00 0.00 N ATOM 1995 CA LEU A 126 -8.693 12.774 3.602 1.00 0.00 C ATOM 1996 C LEU A 126 -8.089 13.108 4.959 1.00 0.00 C ATOM 1997 O LEU A 126 -7.748 12.209 5.729 1.00 0.00 O ATOM 1998 CB LEU A 126 -10.168 12.401 3.762 1.00 0.00 C ATOM 1999 CG LEU A 126 -10.433 11.165 4.625 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -10.813 11.572 6.039 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -11.523 10.302 4.005 1.00 0.00 C ATOM 0 H LEU A 126 -8.164 10.760 3.365 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.623 13.650 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.697 13.249 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -10.594 12.233 2.773 1.00 0.00 H new ATOM 0 HG LEU A 126 -9.516 10.577 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.998 10.680 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.999 12.145 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.715 12.183 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.697 9.428 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.443 10.880 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.210 9.979 3.012 1.00 0.00 H new ATOM 2013 N ASP A 127 -7.940 14.396 5.249 1.00 0.00 N ATOM 2014 CA ASP A 127 -7.355 14.811 6.516 1.00 0.00 C ATOM 2015 C ASP A 127 -8.422 15.245 7.517 1.00 0.00 C ATOM 2016 O ASP A 127 -9.194 16.170 7.263 1.00 0.00 O ATOM 2017 CB ASP A 127 -6.361 15.950 6.291 1.00 0.00 C ATOM 2018 CG ASP A 127 -6.984 17.129 5.569 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -7.469 16.941 4.435 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -6.988 18.241 6.139 1.00 0.00 O ATOM 0 H ASP A 127 -8.213 15.161 4.632 1.00 0.00 H new ATOM 0 HA ASP A 127 -6.834 13.950 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -5.970 16.282 7.253 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -5.514 15.580 5.713 1.00 0.00 H new ATOM 2025 N GLU A 128 -8.439 14.577 8.667 1.00 0.00 N ATOM 2026 CA GLU A 128 -9.385 14.889 9.733 1.00 0.00 C ATOM 2027 C GLU A 128 -8.642 15.169 11.036 1.00 0.00 C ATOM 2028 O GLU A 128 -7.806 14.372 11.459 1.00 0.00 O ATOM 2029 CB GLU A 128 -10.368 13.733 9.929 1.00 0.00 C ATOM 2030 CG GLU A 128 -11.444 14.019 10.963 1.00 0.00 C ATOM 2031 CD GLU A 128 -12.584 13.022 10.909 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -13.384 13.087 9.951 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -12.678 12.178 11.824 1.00 0.00 O ATOM 0 H GLU A 128 -7.803 13.810 8.885 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.944 15.780 9.448 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -10.844 13.506 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -9.815 12.843 10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.000 14.004 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.837 15.023 10.805 1.00 0.00 H new ATOM 2040 N ASP A 129 -8.942 16.295 11.678 1.00 0.00 N ATOM 2041 CA ASP A 129 -8.283 16.641 12.936 1.00 0.00 C ATOM 2042 C ASP A 129 -6.773 16.741 12.750 1.00 0.00 C ATOM 2043 O ASP A 129 -6.009 16.620 13.708 1.00 0.00 O ATOM 2044 CB ASP A 129 -8.578 15.572 13.983 1.00 0.00 C ATOM 2045 CG ASP A 129 -8.632 16.133 15.390 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -7.764 16.964 15.732 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -9.542 15.742 16.152 1.00 0.00 O ATOM 0 H ASP A 129 -9.628 16.976 11.354 1.00 0.00 H new ATOM 0 HA ASP A 129 -8.666 17.607 13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -9.529 15.093 13.750 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.811 14.799 13.933 1.00 0.00 H new ATOM 2052 N GLY A 130 -6.350 16.928 11.511 1.00 0.00 N ATOM 2053 CA GLY A 130 -4.934 17.001 11.213 1.00 0.00 C ATOM 2054 C GLY A 130 -4.363 15.627 10.914 1.00 0.00 C ATOM 2055 O GLY A 130 -3.171 15.481 10.639 1.00 0.00 O ATOM 0 H GLY A 130 -6.963 17.031 10.702 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -4.773 17.658 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.404 17.442 12.058 1.00 0.00 H new ATOM 2059 N LEU A 131 -5.233 14.620 10.960 1.00 0.00 N ATOM 2060 CA LEU A 131 -4.851 13.242 10.689 1.00 0.00 C ATOM 2061 C LEU A 131 -5.168 12.886 9.244 1.00 0.00 C ATOM 2062 O LEU A 131 -6.143 13.375 8.681 1.00 0.00 O ATOM 2063 CB LEU A 131 -5.579 12.292 11.643 1.00 0.00 C ATOM 2064 CG LEU A 131 -4.709 11.697 12.748 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -5.557 11.328 13.954 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -3.957 10.482 12.230 1.00 0.00 C ATOM 0 H LEU A 131 -6.220 14.739 11.186 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.778 13.138 10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.409 12.829 12.103 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.010 11.477 11.062 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.982 12.447 13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -4.920 10.906 14.731 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -6.053 12.220 14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.307 10.593 13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.341 10.068 13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -4.670 9.729 11.894 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.320 10.777 11.396 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.339 12.041 8.648 1.00 0.00 N ATOM 2079 CA ILE A 132 -4.531 11.633 7.257 1.00 0.00 C ATOM 2080 C ILE A 132 -5.182 10.267 7.169 1.00 0.00 C ATOM 2081 O ILE A 132 -4.792 9.349 7.878 1.00 0.00 O ATOM 2082 CB ILE A 132 -3.196 11.551 6.476 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -1.995 11.461 7.428 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -3.039 12.743 5.549 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -1.590 12.793 8.026 1.00 0.00 C ATOM 0 H ILE A 132 -3.527 11.623 9.102 1.00 0.00 H new ATOM 0 HA ILE A 132 -5.170 12.398 6.816 1.00 0.00 H new ATOM 0 HB ILE A 132 -3.224 10.641 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.234 10.768 8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -1.146 11.042 6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -2.094 12.664 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -3.863 12.760 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -3.047 13.663 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -0.735 12.650 8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.319 13.483 7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.424 13.205 8.594 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.154 10.130 6.275 1.00 0.00 N ATOM 2098 CA LYS A 133 -6.821 8.851 6.088 1.00 0.00 C ATOM 2099 C LYS A 133 -6.962 8.525 4.601 1.00 0.00 C ATOM 2100 O LYS A 133 -7.328 9.381 3.805 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.202 8.872 6.748 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.169 8.542 8.233 1.00 0.00 C ATOM 2103 CD LYS A 133 -8.921 9.577 9.053 1.00 0.00 C ATOM 2104 CE LYS A 133 -10.426 9.386 8.948 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.839 8.007 9.331 1.00 0.00 N ATOM 0 H LYS A 133 -6.494 10.881 5.675 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.212 8.078 6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -8.646 9.858 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.850 8.158 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.608 7.558 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.134 8.490 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -8.616 9.507 10.097 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -8.655 10.577 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -10.929 10.108 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -10.748 9.591 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -11.709 8.050 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.014 7.446 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.083 7.560 9.888 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.688 7.273 4.248 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.796 6.811 2.858 1.00 0.00 C ATOM 2121 C ALA A 134 -7.692 5.571 2.771 1.00 0.00 C ATOM 2122 O ALA A 134 -7.673 4.732 3.670 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.415 6.504 2.300 1.00 0.00 C ATOM 0 H ALA A 134 -6.388 6.553 4.905 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.248 7.604 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.507 6.162 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.802 7.405 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.945 5.725 2.900 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.494 5.458 1.704 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.405 4.304 1.574 1.00 0.00 C ATOM 2131 C ARG A 135 -9.275 3.524 0.261 1.00 0.00 C ATOM 2132 O ARG A 135 -9.416 4.079 -0.828 1.00 0.00 O ATOM 2133 CB ARG A 135 -10.858 4.744 1.765 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.184 6.092 1.147 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.082 5.947 -0.069 1.00 0.00 C ATOM 2136 NE ARG A 135 -13.001 7.075 -0.206 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.146 7.185 0.464 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.521 6.236 1.315 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -14.921 8.247 0.283 1.00 0.00 N ATOM 0 H ARG A 135 -8.535 6.128 0.936 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.101 3.617 2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.515 3.989 1.332 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.077 4.783 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.673 6.724 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.260 6.594 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.468 5.868 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.652 5.022 0.009 1.00 0.00 H new ATOM 0 HE ARG A 135 -12.750 7.822 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.930 5.417 1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.400 6.327 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.639 8.979 -0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.798 8.331 0.796 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.033 2.206 0.394 1.00 0.00 N ATOM 2154 CA VAL A 136 -8.914 1.308 -0.760 1.00 0.00 C ATOM 2155 C VAL A 136 -9.798 0.049 -0.620 1.00 0.00 C ATOM 2156 O VAL A 136 -9.586 -0.767 0.275 1.00 0.00 O ATOM 2157 CB VAL A 136 -7.454 0.866 -0.973 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -7.329 0.006 -2.224 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -6.536 2.077 -1.055 1.00 0.00 C ATOM 0 H VAL A 136 -8.916 1.742 1.295 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.258 1.880 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.149 0.264 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.290 -0.295 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.954 -0.881 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.654 0.578 -3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.509 1.745 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.840 2.708 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.601 2.646 -0.128 1.00 0.00 H new ATOM 2169 N ILE A 137 -10.763 -0.094 -1.534 1.00 0.00 N ATOM 2170 CA ILE A 137 -11.691 -1.231 -1.578 1.00 0.00 C ATOM 2171 C ILE A 137 -11.113 -2.405 -2.359 1.00 0.00 C ATOM 2172 O ILE A 137 -10.448 -2.236 -3.379 1.00 0.00 O ATOM 2173 CB ILE A 137 -13.064 -0.841 -2.193 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -14.073 -0.535 -1.082 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -13.602 -1.940 -3.102 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -15.446 -0.159 -1.593 1.00 0.00 C ATOM 0 H ILE A 137 -10.925 0.587 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 137 -11.842 -1.532 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 137 -12.916 0.052 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -14.163 -1.407 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -13.688 0.279 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -14.563 -1.633 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -12.898 -2.117 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -13.730 -2.857 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -16.105 0.043 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -15.371 0.732 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -15.853 -0.981 -2.182 1.00 0.00 H new ATOM 2188 N LEU A 138 -11.384 -3.595 -1.850 1.00 0.00 N ATOM 2189 CA LEU A 138 -10.922 -4.831 -2.450 1.00 0.00 C ATOM 2190 C LEU A 138 -12.105 -5.765 -2.666 1.00 0.00 C ATOM 2191 O LEU A 138 -13.107 -5.668 -1.965 1.00 0.00 O ATOM 2192 CB LEU A 138 -9.847 -5.457 -1.567 1.00 0.00 C ATOM 2193 CG LEU A 138 -8.789 -4.463 -1.070 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -8.352 -3.531 -2.196 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -9.327 -3.652 0.095 1.00 0.00 C ATOM 0 H LEU A 138 -11.935 -3.729 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 138 -10.474 -4.635 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.325 -5.923 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.351 -6.251 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.922 -5.032 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -7.602 -2.835 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -7.928 -4.118 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.214 -2.973 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.563 -2.952 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -10.210 -3.099 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -9.594 -4.322 0.912 1.00 0.00 H new ATOM 2207 N ASP A 139 -12.013 -6.630 -3.667 1.00 0.00 N ATOM 2208 CA ASP A 139 -13.122 -7.525 -3.993 1.00 0.00 C ATOM 2209 C ASP A 139 -13.145 -8.760 -3.099 1.00 0.00 C ATOM 2210 O ASP A 139 -12.109 -9.344 -2.789 1.00 0.00 O ATOM 2211 CB ASP A 139 -13.040 -7.950 -5.460 1.00 0.00 C ATOM 2212 CG ASP A 139 -14.372 -8.435 -5.997 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -15.418 -7.948 -5.519 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -14.370 -9.302 -6.897 1.00 0.00 O ATOM 0 H ASP A 139 -11.192 -6.733 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 139 -14.046 -6.974 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -12.694 -7.109 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -12.299 -8.742 -5.565 1.00 0.00 H new ATOM 2219 N LEU A 140 -14.356 -9.132 -2.680 1.00 0.00 N ATOM 2220 CA LEU A 140 -14.571 -10.282 -1.805 1.00 0.00 C ATOM 2221 C LEU A 140 -13.875 -11.529 -2.339 1.00 0.00 C ATOM 2222 O LEU A 140 -13.874 -12.556 -1.628 1.00 0.00 O ATOM 2223 CB LEU A 140 -16.070 -10.553 -1.648 1.00 0.00 C ATOM 2224 CG LEU A 140 -16.581 -10.549 -0.206 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -15.926 -11.661 0.597 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -16.325 -9.197 0.446 1.00 0.00 C ATOM 2227 OXT LEU A 140 -13.347 -11.473 -3.467 1.00 0.00 O ATOM 0 H LEU A 140 -15.214 -8.644 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 140 -14.140 -10.043 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -16.621 -9.802 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -16.298 -11.521 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 140 -17.656 -10.726 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -16.302 -11.642 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.159 -12.624 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -14.846 -11.516 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -16.695 -9.212 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -15.255 -8.991 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -16.842 -8.419 -0.115 1.00 0.00 H new TER 2239 LEU A 140