USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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 Set 1.1: A 17 SER OG : rot 180:sc= 0.304 USER MOD Set 1.2: A 20 THR OG1 : rot -106:sc= 1.39 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0185) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.95 (180deg=-0.0692) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.034 USER MOD Single : A 15 SER OG : rot -102:sc= 0.594 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 93:sc= 1.28 USER MOD Single : A 31 SER OG : rot 75:sc= 0.403 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.0261 K(o=0.026,f=-4.3!) USER MOD Single : A 46 THR OG1 : rot -67:sc= 1.7 USER MOD Single : A 49 SER OG : rot 47:sc= 0.0288 USER MOD Single : A 56 SER OG : rot 37:sc= 1.17 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 172:sc= 0 (180deg=-0.0938) USER MOD Single : A 64 GLN : amide:sc= 1.12 K(o=1.1,f=-0.6) USER MOD Single : A 70 MET CE :methyl 154:sc= 0 (180deg=-0.514) USER MOD Single : A 71 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.25) USER MOD Single : A 87 SER OG : rot -143:sc= 0.86 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.902 -10.245 -11.729 1.00 0.00 N ATOM 2 CA MET A 1 6.680 -8.806 -11.993 1.00 0.00 C ATOM 3 C MET A 1 7.745 -8.266 -12.941 1.00 0.00 C ATOM 4 O MET A 1 8.883 -8.741 -12.913 1.00 0.00 O ATOM 5 CB MET A 1 6.551 -7.948 -10.717 1.00 0.00 C ATOM 6 CG MET A 1 7.772 -7.899 -9.789 1.00 0.00 C ATOM 7 SD MET A 1 8.145 -9.416 -8.865 1.00 0.00 S ATOM 8 CE MET A 1 6.807 -9.413 -7.639 1.00 0.00 C ATOM 0 H1 MET A 1 5.993 -10.748 -11.762 1.00 0.00 H new ATOM 0 H2 MET A 1 7.540 -10.636 -12.451 1.00 0.00 H new ATOM 0 H3 MET A 1 7.329 -10.363 -10.788 1.00 0.00 H new ATOM 0 HA MET A 1 5.708 -8.727 -12.480 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.311 -6.928 -11.017 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.702 -8.319 -10.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.646 -7.640 -10.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.625 -7.090 -9.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.952 -10.237 -6.941 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.816 -8.469 -7.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.849 -9.530 -8.146 1.00 0.00 H new ATOM 20 N ALA A 2 7.390 -7.289 -13.781 1.00 0.00 N ATOM 21 CA ALA A 2 8.276 -6.701 -14.791 1.00 0.00 C ATOM 22 C ALA A 2 8.181 -5.162 -14.800 1.00 0.00 C ATOM 23 O ALA A 2 7.335 -4.566 -15.474 1.00 0.00 O ATOM 24 CB ALA A 2 7.939 -7.325 -16.152 1.00 0.00 C ATOM 0 H ALA A 2 6.458 -6.875 -13.778 1.00 0.00 H new ATOM 0 HA ALA A 2 9.316 -6.925 -14.551 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.588 -6.900 -16.918 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.090 -8.403 -16.105 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.899 -7.115 -16.401 1.00 0.00 H new ATOM 30 N GLU A 3 9.068 -4.515 -14.043 1.00 0.00 N ATOM 31 CA GLU A 3 9.107 -3.060 -13.873 1.00 0.00 C ATOM 32 C GLU A 3 10.192 -2.442 -14.777 1.00 0.00 C ATOM 33 O GLU A 3 11.301 -2.128 -14.342 1.00 0.00 O ATOM 34 CB GLU A 3 9.300 -2.708 -12.383 1.00 0.00 C ATOM 35 CG GLU A 3 8.478 -3.540 -11.376 1.00 0.00 C ATOM 36 CD GLU A 3 9.295 -4.692 -10.754 1.00 0.00 C ATOM 37 OE1 GLU A 3 9.941 -5.474 -11.500 1.00 0.00 O ATOM 38 OE2 GLU A 3 9.305 -4.812 -9.510 1.00 0.00 O ATOM 0 H GLU A 3 9.797 -4.999 -13.518 1.00 0.00 H new ATOM 0 HA GLU A 3 8.156 -2.629 -14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.356 -2.819 -12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.050 -1.656 -12.244 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.114 -2.888 -10.582 1.00 0.00 H new ATOM 0 HG3 GLU A 3 7.602 -3.950 -11.878 1.00 0.00 H new ATOM 45 N SER A 4 9.868 -2.269 -16.059 1.00 0.00 N ATOM 46 CA SER A 4 10.786 -1.778 -17.100 1.00 0.00 C ATOM 47 C SER A 4 11.309 -0.349 -16.840 1.00 0.00 C ATOM 48 O SER A 4 10.772 0.389 -16.009 1.00 0.00 O ATOM 49 CB SER A 4 10.077 -1.814 -18.462 1.00 0.00 C ATOM 50 OG SER A 4 9.189 -2.915 -18.598 1.00 0.00 O ATOM 0 H SER A 4 8.934 -2.471 -16.417 1.00 0.00 H new ATOM 0 HA SER A 4 11.653 -2.439 -17.087 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.521 -0.887 -18.600 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.825 -1.858 -19.254 1.00 0.00 H new ATOM 0 HG SER A 4 8.765 -2.886 -19.481 1.00 0.00 H new ATOM 56 N ASP A 5 12.326 0.099 -17.584 1.00 0.00 N ATOM 57 CA ASP A 5 12.899 1.452 -17.458 1.00 0.00 C ATOM 58 C ASP A 5 11.886 2.574 -17.779 1.00 0.00 C ATOM 59 O ASP A 5 11.943 3.647 -17.185 1.00 0.00 O ATOM 60 CB ASP A 5 14.152 1.548 -18.342 1.00 0.00 C ATOM 61 CG ASP A 5 14.947 2.833 -18.108 1.00 0.00 C ATOM 62 OD1 ASP A 5 15.414 3.051 -16.961 1.00 0.00 O ATOM 63 OD2 ASP A 5 15.134 3.597 -19.089 1.00 0.00 O ATOM 0 H ASP A 5 12.782 -0.469 -18.298 1.00 0.00 H new ATOM 0 HA ASP A 5 13.174 1.607 -16.415 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.794 0.689 -18.148 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.856 1.495 -19.390 1.00 0.00 H new ATOM 68 N GLY A 6 10.924 2.325 -18.672 1.00 0.00 N ATOM 69 CA GLY A 6 9.784 3.212 -18.956 1.00 0.00 C ATOM 70 C GLY A 6 8.623 3.141 -17.946 1.00 0.00 C ATOM 71 O GLY A 6 7.711 3.972 -18.009 1.00 0.00 O ATOM 0 H GLY A 6 10.913 1.475 -19.236 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.146 4.239 -18.996 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.397 2.972 -19.946 1.00 0.00 H new ATOM 75 N ALA A 7 8.627 2.155 -17.045 1.00 0.00 N ATOM 76 CA ALA A 7 7.538 1.828 -16.117 1.00 0.00 C ATOM 77 C ALA A 7 7.865 2.225 -14.656 1.00 0.00 C ATOM 78 O ALA A 7 8.795 3.001 -14.411 1.00 0.00 O ATOM 79 CB ALA A 7 7.238 0.334 -16.295 1.00 0.00 C ATOM 0 H ALA A 7 9.428 1.532 -16.937 1.00 0.00 H new ATOM 0 HA ALA A 7 6.646 2.411 -16.347 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.431 0.042 -15.623 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.938 0.143 -17.326 1.00 0.00 H new ATOM 0 HB3 ALA A 7 8.131 -0.247 -16.063 1.00 0.00 H new ATOM 85 N GLU A 8 7.079 1.752 -13.677 1.00 0.00 N ATOM 86 CA GLU A 8 7.235 2.099 -12.251 1.00 0.00 C ATOM 87 C GLU A 8 7.079 0.928 -11.268 1.00 0.00 C ATOM 88 O GLU A 8 6.306 -0.010 -11.490 1.00 0.00 O ATOM 89 CB GLU A 8 6.295 3.256 -11.866 1.00 0.00 C ATOM 90 CG GLU A 8 4.795 2.996 -12.061 1.00 0.00 C ATOM 91 CD GLU A 8 4.011 4.257 -11.664 1.00 0.00 C ATOM 92 OE1 GLU A 8 4.129 5.294 -12.361 1.00 0.00 O ATOM 93 OE2 GLU A 8 3.261 4.235 -10.657 1.00 0.00 O ATOM 0 H GLU A 8 6.307 1.109 -13.853 1.00 0.00 H new ATOM 0 HA GLU A 8 8.275 2.411 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.467 3.505 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.571 4.133 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.590 2.737 -13.100 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.478 2.149 -11.453 1.00 0.00 H new ATOM 100 N TYR A 9 7.784 1.021 -10.140 1.00 0.00 N ATOM 101 CA TYR A 9 7.734 0.071 -9.028 1.00 0.00 C ATOM 102 C TYR A 9 6.493 0.364 -8.163 1.00 0.00 C ATOM 103 O TYR A 9 6.472 1.350 -7.419 1.00 0.00 O ATOM 104 CB TYR A 9 9.058 0.161 -8.240 1.00 0.00 C ATOM 105 CG TYR A 9 10.310 -0.034 -9.088 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.703 -1.322 -9.500 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.048 1.088 -9.519 1.00 0.00 C ATOM 108 CE1 TYR A 9 11.786 -1.480 -10.390 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.126 0.933 -10.410 1.00 0.00 C ATOM 110 CZ TYR A 9 12.478 -0.351 -10.876 1.00 0.00 C ATOM 111 OH TYR A 9 13.460 -0.483 -11.812 1.00 0.00 O ATOM 0 H TYR A 9 8.431 1.791 -9.969 1.00 0.00 H new ATOM 0 HA TYR A 9 7.635 -0.954 -9.384 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.112 1.135 -7.753 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.048 -0.590 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 9 10.175 -2.190 -9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.784 2.073 -9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.087 -2.470 -10.701 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.684 1.798 -10.737 1.00 0.00 H new ATOM 0 HH TYR A 9 13.825 0.400 -12.030 1.00 0.00 H new ATOM 121 N ARG A 10 5.431 -0.448 -8.300 1.00 0.00 N ATOM 122 CA ARG A 10 4.123 -0.261 -7.632 1.00 0.00 C ATOM 123 C ARG A 10 3.471 -1.589 -7.211 1.00 0.00 C ATOM 124 O ARG A 10 3.449 -2.540 -7.998 1.00 0.00 O ATOM 125 CB ARG A 10 3.208 0.547 -8.576 1.00 0.00 C ATOM 126 CG ARG A 10 1.880 0.991 -7.931 1.00 0.00 C ATOM 127 CD ARG A 10 1.030 1.841 -8.889 1.00 0.00 C ATOM 128 NE ARG A 10 0.569 1.074 -10.063 1.00 0.00 N ATOM 129 CZ ARG A 10 0.879 1.280 -11.330 1.00 0.00 C ATOM 130 NH1 ARG A 10 1.585 2.284 -11.746 1.00 0.00 N ATOM 131 NH2 ARG A 10 0.522 0.444 -12.254 1.00 0.00 N ATOM 0 H ARG A 10 5.455 -1.277 -8.894 1.00 0.00 H new ATOM 0 HA ARG A 10 4.280 0.287 -6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.747 1.430 -8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.989 -0.056 -9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.313 0.111 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.089 1.563 -7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.166 2.234 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.613 2.698 -9.225 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.062 0.295 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.936 2.972 -11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.790 2.386 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.009 -0.392 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.772 0.622 -13.227 1.00 0.00 H new ATOM 145 N CYS A 11 2.885 -1.648 -6.013 1.00 0.00 N ATOM 146 CA CYS A 11 2.149 -2.814 -5.493 1.00 0.00 C ATOM 147 C CYS A 11 0.863 -2.438 -4.727 1.00 0.00 C ATOM 148 O CYS A 11 0.745 -1.336 -4.194 1.00 0.00 O ATOM 149 CB CYS A 11 3.100 -3.693 -4.663 1.00 0.00 C ATOM 150 SG CYS A 11 3.716 -2.823 -3.194 1.00 0.00 S ATOM 0 H CYS A 11 2.907 -0.868 -5.356 1.00 0.00 H new ATOM 0 HA CYS A 11 1.794 -3.393 -6.346 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.580 -4.601 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.942 -4.002 -5.282 1.00 0.00 H new ATOM 0 HG CYS A 11 4.511 -3.606 -2.527 1.00 0.00 H new ATOM 156 N PHE A 12 -0.104 -3.357 -4.688 1.00 0.00 N ATOM 157 CA PHE A 12 -1.358 -3.285 -3.929 1.00 0.00 C ATOM 158 C PHE A 12 -1.138 -3.580 -2.438 1.00 0.00 C ATOM 159 O PHE A 12 -0.296 -4.413 -2.090 1.00 0.00 O ATOM 160 CB PHE A 12 -2.349 -4.290 -4.533 1.00 0.00 C ATOM 161 CG PHE A 12 -3.684 -4.370 -3.815 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.708 -3.453 -4.121 1.00 0.00 C ATOM 163 CD2 PHE A 12 -3.897 -5.349 -2.824 1.00 0.00 C ATOM 164 CE1 PHE A 12 -5.942 -3.526 -3.453 1.00 0.00 C ATOM 165 CE2 PHE A 12 -5.128 -5.411 -2.145 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.153 -4.503 -2.464 1.00 0.00 C ATOM 0 H PHE A 12 -0.029 -4.226 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.756 -2.273 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.527 -4.023 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.890 -5.279 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.545 -2.693 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.114 -6.053 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.730 -2.830 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.285 -6.156 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.101 -4.556 -1.950 1.00 0.00 H new ATOM 176 N VAL A 13 -1.909 -2.911 -1.574 1.00 0.00 N ATOM 177 CA VAL A 13 -1.852 -3.026 -0.110 1.00 0.00 C ATOM 178 C VAL A 13 -3.247 -2.927 0.515 1.00 0.00 C ATOM 179 O VAL A 13 -3.828 -1.842 0.585 1.00 0.00 O ATOM 180 CB VAL A 13 -0.911 -1.964 0.509 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.541 -2.438 0.479 1.00 0.00 C ATOM 182 CG2 VAL A 13 -0.951 -0.581 -0.158 1.00 0.00 C ATOM 0 H VAL A 13 -2.618 -2.248 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.446 -4.012 0.114 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.288 -1.850 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.182 -1.674 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.634 -3.363 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.844 -2.616 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.257 0.088 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.665 -0.674 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.960 -0.175 -0.093 1.00 0.00 H new ATOM 192 N GLY A 14 -3.776 -4.037 1.040 1.00 0.00 N ATOM 193 CA GLY A 14 -4.957 -3.997 1.914 1.00 0.00 C ATOM 194 C GLY A 14 -4.541 -3.952 3.385 1.00 0.00 C ATOM 195 O GLY A 14 -3.943 -4.911 3.871 1.00 0.00 O ATOM 0 H GLY A 14 -3.407 -4.974 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.562 -3.123 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.579 -4.874 1.734 1.00 0.00 H new ATOM 199 N SER A 15 -4.887 -2.870 4.098 1.00 0.00 N ATOM 200 CA SER A 15 -4.552 -2.652 5.528 1.00 0.00 C ATOM 201 C SER A 15 -5.253 -1.434 6.167 1.00 0.00 C ATOM 202 O SER A 15 -4.971 -1.094 7.317 1.00 0.00 O ATOM 203 CB SER A 15 -3.031 -2.453 5.701 1.00 0.00 C ATOM 204 OG SER A 15 -2.530 -3.235 6.767 1.00 0.00 O ATOM 0 H SER A 15 -5.420 -2.100 3.694 1.00 0.00 H new ATOM 0 HA SER A 15 -4.907 -3.548 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.519 -2.723 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.818 -1.400 5.888 1.00 0.00 H new ATOM 0 HG SER A 15 -2.383 -2.665 7.550 1.00 0.00 H new ATOM 210 N LEU A 16 -6.111 -0.718 5.430 1.00 0.00 N ATOM 211 CA LEU A 16 -6.688 0.562 5.860 1.00 0.00 C ATOM 212 C LEU A 16 -8.108 0.385 6.414 1.00 0.00 C ATOM 213 O LEU A 16 -8.783 -0.616 6.168 1.00 0.00 O ATOM 214 CB LEU A 16 -6.698 1.595 4.707 1.00 0.00 C ATOM 215 CG LEU A 16 -5.473 1.665 3.787 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.702 2.823 2.821 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.159 1.903 4.520 1.00 0.00 C ATOM 0 H LEU A 16 -6.428 -1.015 4.507 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.051 0.940 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.570 1.392 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.842 2.582 5.146 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.377 0.700 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.850 2.908 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.607 2.640 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.813 3.750 3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.342 1.940 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.210 2.849 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.984 1.091 5.226 1.00 0.00 H new ATOM 229 N SER A 17 -8.567 1.433 7.080 1.00 0.00 N ATOM 230 CA SER A 17 -9.951 1.690 7.497 1.00 0.00 C ATOM 231 C SER A 17 -10.385 3.065 6.983 1.00 0.00 C ATOM 232 O SER A 17 -9.594 3.764 6.345 1.00 0.00 O ATOM 233 CB SER A 17 -10.072 1.610 9.022 1.00 0.00 C ATOM 234 OG SER A 17 -9.461 2.732 9.638 1.00 0.00 O ATOM 0 H SER A 17 -7.942 2.186 7.368 1.00 0.00 H new ATOM 0 HA SER A 17 -10.607 0.931 7.072 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.123 1.562 9.305 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.603 0.693 9.380 1.00 0.00 H new ATOM 0 HG SER A 17 -9.552 2.661 10.611 1.00 0.00 H new ATOM 240 N TRP A 18 -11.620 3.497 7.255 1.00 0.00 N ATOM 241 CA TRP A 18 -12.019 4.897 7.043 1.00 0.00 C ATOM 242 C TRP A 18 -11.161 5.931 7.816 1.00 0.00 C ATOM 243 O TRP A 18 -11.176 7.111 7.448 1.00 0.00 O ATOM 244 CB TRP A 18 -13.525 5.059 7.314 1.00 0.00 C ATOM 245 CG TRP A 18 -14.073 4.411 8.553 1.00 0.00 C ATOM 246 CD1 TRP A 18 -14.832 3.291 8.572 1.00 0.00 C ATOM 247 CD2 TRP A 18 -13.934 4.816 9.955 1.00 0.00 C ATOM 248 NE1 TRP A 18 -15.172 2.975 9.872 1.00 0.00 N ATOM 249 CE2 TRP A 18 -14.634 3.873 10.767 1.00 0.00 C ATOM 250 CE3 TRP A 18 -13.292 5.882 10.624 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -14.683 3.972 12.165 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -13.322 5.983 12.030 1.00 0.00 C ATOM 253 CH2 TRP A 18 -14.014 5.032 12.801 1.00 0.00 C ATOM 0 H TRP A 18 -12.362 2.901 7.622 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.822 5.126 5.996 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.746 6.125 7.364 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -14.067 4.661 6.456 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -15.128 2.728 7.699 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -15.749 2.177 10.137 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.770 6.632 10.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -15.228 3.243 12.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.809 6.798 12.519 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -14.031 5.116 13.878 1.00 0.00 H new ATOM 264 N ASN A 19 -10.368 5.530 8.821 1.00 0.00 N ATOM 265 CA ASN A 19 -9.472 6.429 9.564 1.00 0.00 C ATOM 266 C ASN A 19 -8.027 6.487 9.022 1.00 0.00 C ATOM 267 O ASN A 19 -7.414 7.562 9.051 1.00 0.00 O ATOM 268 CB ASN A 19 -9.502 6.050 11.053 1.00 0.00 C ATOM 269 CG ASN A 19 -8.843 7.134 11.883 1.00 0.00 C ATOM 270 OD1 ASN A 19 -9.450 8.156 12.177 1.00 0.00 O ATOM 271 ND2 ASN A 19 -7.586 6.985 12.220 1.00 0.00 N ATOM 0 H ASN A 19 -10.330 4.563 9.144 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.851 7.442 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.532 5.908 11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.986 5.102 11.205 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.104 7.724 12.732 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.089 6.130 11.971 1.00 0.00 H new ATOM 278 N THR A 20 -7.482 5.372 8.520 1.00 0.00 N ATOM 279 CA THR A 20 -6.158 5.344 7.868 1.00 0.00 C ATOM 280 C THR A 20 -6.212 6.028 6.505 1.00 0.00 C ATOM 281 O THR A 20 -7.259 6.072 5.856 1.00 0.00 O ATOM 282 CB THR A 20 -5.611 3.923 7.627 1.00 0.00 C ATOM 283 OG1 THR A 20 -6.201 2.951 8.454 1.00 0.00 O ATOM 284 CG2 THR A 20 -4.085 3.832 7.764 1.00 0.00 C ATOM 0 H THR A 20 -7.942 4.462 8.552 1.00 0.00 H new ATOM 0 HA THR A 20 -5.498 5.863 8.563 1.00 0.00 H new ATOM 0 HB THR A 20 -5.884 3.711 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.564 2.682 9.149 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.764 2.806 7.583 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.614 4.494 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.792 4.131 8.770 1.00 0.00 H new ATOM 292 N ASP A 21 -5.067 6.504 6.021 1.00 0.00 N ATOM 293 CA ASP A 21 -4.916 6.922 4.629 1.00 0.00 C ATOM 294 C ASP A 21 -3.499 6.678 4.071 1.00 0.00 C ATOM 295 O ASP A 21 -2.677 6.006 4.698 1.00 0.00 O ATOM 296 CB ASP A 21 -5.362 8.390 4.484 1.00 0.00 C ATOM 297 CG ASP A 21 -4.321 9.409 4.957 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.726 9.222 6.042 1.00 0.00 O ATOM 299 OD2 ASP A 21 -4.099 10.405 4.228 1.00 0.00 O ATOM 0 H ASP A 21 -4.221 6.611 6.580 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.564 6.295 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.597 8.586 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.282 8.537 5.050 1.00 0.00 H new ATOM 304 N ASP A 22 -3.201 7.206 2.876 1.00 0.00 N ATOM 305 CA ASP A 22 -1.949 6.930 2.161 1.00 0.00 C ATOM 306 C ASP A 22 -0.679 7.344 2.926 1.00 0.00 C ATOM 307 O ASP A 22 0.374 6.743 2.723 1.00 0.00 O ATOM 308 CB ASP A 22 -1.971 7.579 0.769 1.00 0.00 C ATOM 309 CG ASP A 22 -1.909 9.104 0.813 1.00 0.00 C ATOM 310 OD1 ASP A 22 -2.974 9.725 1.021 1.00 0.00 O ATOM 311 OD2 ASP A 22 -0.822 9.692 0.591 1.00 0.00 O ATOM 0 H ASP A 22 -3.825 7.839 2.376 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.897 5.845 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.128 7.205 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.878 7.274 0.248 1.00 0.00 H new ATOM 316 N ARG A 23 -0.760 8.305 3.857 1.00 0.00 N ATOM 317 CA ARG A 23 0.383 8.687 4.704 1.00 0.00 C ATOM 318 C ARG A 23 0.714 7.651 5.781 1.00 0.00 C ATOM 319 O ARG A 23 1.864 7.585 6.219 1.00 0.00 O ATOM 320 CB ARG A 23 0.172 10.089 5.288 1.00 0.00 C ATOM 321 CG ARG A 23 0.210 11.139 4.170 1.00 0.00 C ATOM 322 CD ARG A 23 0.223 12.553 4.748 1.00 0.00 C ATOM 323 NE ARG A 23 0.105 13.566 3.686 1.00 0.00 N ATOM 324 CZ ARG A 23 -0.063 14.858 3.891 1.00 0.00 C ATOM 325 NH1 ARG A 23 -0.058 15.390 5.077 1.00 0.00 N ATOM 326 NH2 ARG A 23 -0.254 15.686 2.913 1.00 0.00 N ATOM 0 H ARG A 23 -1.610 8.836 4.045 1.00 0.00 H new ATOM 0 HA ARG A 23 1.263 8.715 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.785 10.134 5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.945 10.304 6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.095 10.986 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.657 11.016 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.599 12.667 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.147 12.712 5.304 1.00 0.00 H new ATOM 0 HE ARG A 23 0.157 13.244 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.080 14.802 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.192 16.395 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.278 15.344 1.952 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.381 16.680 3.104 1.00 0.00 H new ATOM 340 N GLY A 24 -0.235 6.793 6.162 1.00 0.00 N ATOM 341 CA GLY A 24 0.043 5.618 6.993 1.00 0.00 C ATOM 342 C GLY A 24 0.840 4.549 6.237 1.00 0.00 C ATOM 343 O GLY A 24 1.745 3.942 6.815 1.00 0.00 O ATOM 0 H GLY A 24 -1.217 6.892 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.599 5.925 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.897 5.190 7.340 1.00 0.00 H new ATOM 347 N LEU A 25 0.571 4.384 4.935 1.00 0.00 N ATOM 348 CA LEU A 25 1.395 3.578 4.015 1.00 0.00 C ATOM 349 C LEU A 25 2.774 4.215 3.743 1.00 0.00 C ATOM 350 O LEU A 25 3.785 3.515 3.809 1.00 0.00 O ATOM 351 CB LEU A 25 0.652 3.323 2.686 1.00 0.00 C ATOM 352 CG LEU A 25 -0.695 2.591 2.810 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.419 2.623 1.462 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.497 1.136 3.248 1.00 0.00 C ATOM 0 H LEU A 25 -0.236 4.812 4.481 1.00 0.00 H new ATOM 0 HA LEU A 25 1.571 2.624 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.481 4.281 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.302 2.742 2.032 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.292 3.099 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.374 2.104 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.594 3.658 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.806 2.130 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.467 0.645 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.115 0.615 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.002 1.112 4.217 1.00 0.00 H new ATOM 366 N GLU A 26 2.840 5.531 3.496 1.00 0.00 N ATOM 367 CA GLU A 26 4.100 6.265 3.260 1.00 0.00 C ATOM 368 C GLU A 26 5.084 6.086 4.432 1.00 0.00 C ATOM 369 O GLU A 26 6.282 5.879 4.213 1.00 0.00 O ATOM 370 CB GLU A 26 3.804 7.760 2.988 1.00 0.00 C ATOM 371 CG GLU A 26 5.019 8.519 2.421 1.00 0.00 C ATOM 372 CD GLU A 26 4.739 10.003 2.116 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.917 10.313 1.218 1.00 0.00 O ATOM 374 OE2 GLU A 26 5.407 10.891 2.711 1.00 0.00 O ATOM 0 H GLU A 26 2.013 6.126 3.453 1.00 0.00 H new ATOM 0 HA GLU A 26 4.581 5.846 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.973 7.839 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.485 8.236 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.841 8.453 3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.349 8.026 1.507 1.00 0.00 H new ATOM 381 N ALA A 27 4.575 6.070 5.669 1.00 0.00 N ATOM 382 CA ALA A 27 5.359 5.736 6.855 1.00 0.00 C ATOM 383 C ALA A 27 5.721 4.242 6.925 1.00 0.00 C ATOM 384 O ALA A 27 6.899 3.906 7.066 1.00 0.00 O ATOM 385 CB ALA A 27 4.572 6.191 8.091 1.00 0.00 C ATOM 0 H ALA A 27 3.600 6.291 5.873 1.00 0.00 H new ATOM 0 HA ALA A 27 6.314 6.259 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.138 5.952 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.407 7.267 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.611 5.677 8.120 1.00 0.00 H new ATOM 391 N ALA A 28 4.744 3.338 6.781 1.00 0.00 N ATOM 392 CA ALA A 28 4.927 1.888 6.931 1.00 0.00 C ATOM 393 C ALA A 28 5.985 1.274 5.989 1.00 0.00 C ATOM 394 O ALA A 28 6.644 0.301 6.364 1.00 0.00 O ATOM 395 CB ALA A 28 3.564 1.223 6.703 1.00 0.00 C ATOM 0 H ALA A 28 3.785 3.599 6.552 1.00 0.00 H new ATOM 0 HA ALA A 28 5.310 1.706 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.664 0.143 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.851 1.594 7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.207 1.459 5.701 1.00 0.00 H new ATOM 401 N PHE A 29 6.157 1.848 4.792 1.00 0.00 N ATOM 402 CA PHE A 29 7.120 1.397 3.778 1.00 0.00 C ATOM 403 C PHE A 29 8.442 2.195 3.771 1.00 0.00 C ATOM 404 O PHE A 29 9.435 1.715 3.217 1.00 0.00 O ATOM 405 CB PHE A 29 6.425 1.382 2.405 1.00 0.00 C ATOM 406 CG PHE A 29 5.475 0.209 2.203 1.00 0.00 C ATOM 407 CD1 PHE A 29 4.217 0.180 2.837 1.00 0.00 C ATOM 408 CD2 PHE A 29 5.859 -0.879 1.395 1.00 0.00 C ATOM 409 CE1 PHE A 29 3.374 -0.937 2.696 1.00 0.00 C ATOM 410 CE2 PHE A 29 5.007 -1.985 1.229 1.00 0.00 C ATOM 411 CZ PHE A 29 3.772 -2.022 1.896 1.00 0.00 C ATOM 0 H PHE A 29 5.617 2.660 4.493 1.00 0.00 H new ATOM 0 HA PHE A 29 7.432 0.385 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.869 2.311 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.186 1.358 1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.898 1.021 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.818 -0.863 0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.421 -0.961 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.302 -2.804 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.128 -2.883 1.794 1.00 0.00 H new ATOM 421 N SER A 30 8.514 3.363 4.431 1.00 0.00 N ATOM 422 CA SER A 30 9.752 4.166 4.501 1.00 0.00 C ATOM 423 C SER A 30 10.914 3.468 5.225 1.00 0.00 C ATOM 424 O SER A 30 12.072 3.817 4.994 1.00 0.00 O ATOM 425 CB SER A 30 9.491 5.531 5.150 1.00 0.00 C ATOM 426 OG SER A 30 8.889 6.403 4.209 1.00 0.00 O ATOM 0 H SER A 30 7.725 3.777 4.928 1.00 0.00 H new ATOM 0 HA SER A 30 10.061 4.298 3.464 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.842 5.413 6.018 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.427 5.958 5.508 1.00 0.00 H new ATOM 0 HG SER A 30 7.914 6.352 4.293 1.00 0.00 H new ATOM 432 N SER A 31 10.642 2.454 6.049 1.00 0.00 N ATOM 433 CA SER A 31 11.656 1.595 6.682 1.00 0.00 C ATOM 434 C SER A 31 12.550 0.857 5.670 1.00 0.00 C ATOM 435 O SER A 31 13.744 0.672 5.926 1.00 0.00 O ATOM 436 CB SER A 31 10.943 0.570 7.571 1.00 0.00 C ATOM 437 OG SER A 31 9.971 -0.121 6.805 1.00 0.00 O ATOM 0 H SER A 31 9.688 2.198 6.304 1.00 0.00 H new ATOM 0 HA SER A 31 12.313 2.242 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.665 -0.135 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.468 1.071 8.415 1.00 0.00 H new ATOM 0 HG SER A 31 10.417 -0.762 6.212 1.00 0.00 H new ATOM 443 N PHE A 32 12.011 0.469 4.508 1.00 0.00 N ATOM 444 CA PHE A 32 12.735 -0.290 3.481 1.00 0.00 C ATOM 445 C PHE A 32 13.474 0.591 2.466 1.00 0.00 C ATOM 446 O PHE A 32 14.515 0.169 1.954 1.00 0.00 O ATOM 447 CB PHE A 32 11.771 -1.254 2.773 1.00 0.00 C ATOM 448 CG PHE A 32 11.418 -2.477 3.601 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.322 -2.450 4.484 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.194 -3.648 3.491 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.009 -3.582 5.257 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.875 -4.783 4.256 1.00 0.00 C ATOM 453 CZ PHE A 32 10.782 -4.751 5.139 1.00 0.00 C ATOM 0 H PHE A 32 11.046 0.676 4.251 1.00 0.00 H new ATOM 0 HA PHE A 32 13.512 -0.854 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.855 -0.719 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.219 -1.578 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.720 -1.557 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 32 13.037 -3.673 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.174 -3.554 5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.470 -5.680 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.536 -5.623 5.726 1.00 0.00 H new ATOM 463 N GLY A 33 12.998 1.806 2.174 1.00 0.00 N ATOM 464 CA GLY A 33 13.640 2.650 1.163 1.00 0.00 C ATOM 465 C GLY A 33 13.092 4.065 1.012 1.00 0.00 C ATOM 466 O GLY A 33 12.235 4.529 1.769 1.00 0.00 O ATOM 0 H GLY A 33 12.180 2.223 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.702 2.719 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.560 2.148 0.199 1.00 0.00 H new ATOM 470 N GLU A 34 13.596 4.741 -0.017 1.00 0.00 N ATOM 471 CA GLU A 34 13.089 6.027 -0.492 1.00 0.00 C ATOM 472 C GLU A 34 11.743 5.808 -1.202 1.00 0.00 C ATOM 473 O GLU A 34 11.636 4.965 -2.096 1.00 0.00 O ATOM 474 CB GLU A 34 14.117 6.694 -1.424 1.00 0.00 C ATOM 475 CG GLU A 34 15.359 7.245 -0.699 1.00 0.00 C ATOM 476 CD GLU A 34 16.288 6.159 -0.138 1.00 0.00 C ATOM 477 OE1 GLU A 34 16.726 5.275 -0.913 1.00 0.00 O ATOM 478 OE2 GLU A 34 16.600 6.175 1.081 1.00 0.00 O ATOM 0 H GLU A 34 14.390 4.401 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 34 12.931 6.697 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.438 5.969 -2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.631 7.509 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.924 7.870 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.034 7.889 0.119 1.00 0.00 H new ATOM 485 N ILE A 35 10.705 6.531 -0.783 1.00 0.00 N ATOM 486 CA ILE A 35 9.303 6.258 -1.137 1.00 0.00 C ATOM 487 C ILE A 35 8.758 7.331 -2.090 1.00 0.00 C ATOM 488 O ILE A 35 9.168 8.494 -2.017 1.00 0.00 O ATOM 489 CB ILE A 35 8.475 6.055 0.158 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.137 5.321 -0.065 1.00 0.00 C ATOM 491 CG2 ILE A 35 8.209 7.378 0.890 1.00 0.00 C ATOM 492 CD1 ILE A 35 7.323 3.855 -0.472 1.00 0.00 C ATOM 0 H ILE A 35 10.813 7.342 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 35 9.224 5.327 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 35 9.102 5.416 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.546 5.367 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.569 5.838 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.626 7.185 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.158 7.839 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.654 8.051 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.347 3.390 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.889 3.805 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.866 3.326 0.311 1.00 0.00 H new ATOM 504 N LEU A 36 7.871 6.955 -3.015 1.00 0.00 N ATOM 505 CA LEU A 36 7.416 7.821 -4.112 1.00 0.00 C ATOM 506 C LEU A 36 5.955 8.260 -3.917 1.00 0.00 C ATOM 507 O LEU A 36 5.667 9.458 -3.891 1.00 0.00 O ATOM 508 CB LEU A 36 7.701 7.085 -5.440 1.00 0.00 C ATOM 509 CG LEU A 36 7.678 7.943 -6.720 1.00 0.00 C ATOM 510 CD1 LEU A 36 8.286 7.136 -7.870 1.00 0.00 C ATOM 511 CD2 LEU A 36 6.268 8.348 -7.148 1.00 0.00 C ATOM 0 H LEU A 36 7.442 6.030 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 36 7.966 8.762 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.680 6.611 -5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.968 6.286 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 36 8.243 8.849 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.274 7.735 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.314 6.870 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.703 6.228 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.322 8.950 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.675 7.454 -7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.800 8.929 -6.354 1.00 0.00 H new ATOM 523 N ASP A 37 5.028 7.315 -3.744 1.00 0.00 N ATOM 524 CA ASP A 37 3.592 7.610 -3.618 1.00 0.00 C ATOM 525 C ASP A 37 2.803 6.510 -2.911 1.00 0.00 C ATOM 526 O ASP A 37 3.264 5.370 -2.808 1.00 0.00 O ATOM 527 CB ASP A 37 2.960 7.806 -5.012 1.00 0.00 C ATOM 528 CG ASP A 37 2.384 9.209 -5.176 1.00 0.00 C ATOM 529 OD1 ASP A 37 1.621 9.656 -4.291 1.00 0.00 O ATOM 530 OD2 ASP A 37 2.664 9.889 -6.192 1.00 0.00 O ATOM 0 H ASP A 37 5.249 6.321 -3.687 1.00 0.00 H new ATOM 0 HA ASP A 37 3.535 8.517 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.712 7.629 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.171 7.069 -5.161 1.00 0.00 H new ATOM 535 N ALA A 38 1.566 6.841 -2.536 1.00 0.00 N ATOM 536 CA ALA A 38 0.516 5.852 -2.345 1.00 0.00 C ATOM 537 C ALA A 38 -0.895 6.394 -2.681 1.00 0.00 C ATOM 538 O ALA A 38 -1.165 7.589 -2.535 1.00 0.00 O ATOM 539 CB ALA A 38 0.615 5.281 -0.920 1.00 0.00 C ATOM 0 H ALA A 38 1.269 7.801 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 38 0.670 5.041 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.169 4.539 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.589 4.812 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.495 6.087 -0.196 1.00 0.00 H new ATOM 545 N LYS A 39 -1.800 5.500 -3.101 1.00 0.00 N ATOM 546 CA LYS A 39 -3.237 5.743 -3.363 1.00 0.00 C ATOM 547 C LYS A 39 -4.059 5.264 -2.176 1.00 0.00 C ATOM 548 O LYS A 39 -3.725 4.259 -1.559 1.00 0.00 O ATOM 549 CB LYS A 39 -3.675 4.992 -4.644 1.00 0.00 C ATOM 550 CG LYS A 39 -5.188 4.922 -4.994 1.00 0.00 C ATOM 551 CD LYS A 39 -5.783 6.296 -5.341 1.00 0.00 C ATOM 552 CE LYS A 39 -7.189 6.177 -5.944 1.00 0.00 C ATOM 553 NZ LYS A 39 -7.773 7.513 -6.210 1.00 0.00 N ATOM 0 H LYS A 39 -1.540 4.530 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.400 6.811 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.163 5.454 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.307 3.969 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.330 4.246 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.732 4.498 -4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.825 6.911 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.128 6.807 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.143 5.606 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.835 5.624 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.723 7.402 -6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.838 8.047 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.168 8.029 -6.880 1.00 0.00 H new ATOM 567 N ILE A 40 -5.176 5.936 -1.919 1.00 0.00 N ATOM 568 CA ILE A 40 -6.215 5.499 -0.980 1.00 0.00 C ATOM 569 C ILE A 40 -7.602 5.681 -1.604 1.00 0.00 C ATOM 570 O ILE A 40 -7.840 6.669 -2.300 1.00 0.00 O ATOM 571 CB ILE A 40 -6.044 6.234 0.368 1.00 0.00 C ATOM 572 CG1 ILE A 40 -7.104 5.797 1.403 1.00 0.00 C ATOM 573 CG2 ILE A 40 -5.950 7.767 0.221 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.370 6.658 1.509 1.00 0.00 C ATOM 0 H ILE A 40 -5.394 6.825 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.112 4.434 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.075 5.925 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.407 4.777 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.629 5.770 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.831 8.220 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.092 8.021 -0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.860 8.144 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -9.030 6.242 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -8.095 7.677 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.885 6.667 0.548 1.00 0.00 H new ATOM 586 N ILE A 41 -8.517 4.739 -1.361 1.00 0.00 N ATOM 587 CA ILE A 41 -9.938 4.857 -1.732 1.00 0.00 C ATOM 588 C ILE A 41 -10.893 4.540 -0.564 1.00 0.00 C ATOM 589 O ILE A 41 -10.891 3.447 -0.005 1.00 0.00 O ATOM 590 CB ILE A 41 -10.202 4.090 -3.046 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.627 4.283 -3.605 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.823 2.600 -2.966 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.926 5.720 -4.039 1.00 0.00 C ATOM 0 H ILE A 41 -8.293 3.860 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.170 5.901 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.527 4.551 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.767 3.618 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.350 3.984 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.033 2.119 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.761 2.506 -2.738 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.406 2.118 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.945 5.780 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.819 6.388 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.227 6.017 -4.821 1.00 0.00 H new ATOM 605 N ASN A 42 -11.698 5.536 -0.178 1.00 0.00 N ATOM 606 CA ASN A 42 -12.760 5.471 0.838 1.00 0.00 C ATOM 607 C ASN A 42 -13.777 6.614 0.618 1.00 0.00 C ATOM 608 O ASN A 42 -13.385 7.730 0.259 1.00 0.00 O ATOM 609 CB ASN A 42 -12.157 5.651 2.251 1.00 0.00 C ATOM 610 CG ASN A 42 -11.521 4.428 2.896 1.00 0.00 C ATOM 611 OD1 ASN A 42 -11.928 3.291 2.719 1.00 0.00 O ATOM 612 ND2 ASN A 42 -10.561 4.648 3.762 1.00 0.00 N ATOM 0 H ASN A 42 -11.623 6.466 -0.590 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.249 4.501 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.403 6.436 2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.946 6.010 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.157 3.870 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.218 5.597 3.913 1.00 0.00 H new ATOM 619 N ASP A 43 -15.055 6.398 0.939 1.00 0.00 N ATOM 620 CA ASP A 43 -15.922 7.459 1.480 1.00 0.00 C ATOM 621 C ASP A 43 -16.739 6.965 2.681 1.00 0.00 C ATOM 622 O ASP A 43 -17.586 6.085 2.520 1.00 0.00 O ATOM 623 CB ASP A 43 -16.863 8.021 0.399 1.00 0.00 C ATOM 624 CG ASP A 43 -17.412 9.408 0.743 1.00 0.00 C ATOM 625 OD1 ASP A 43 -16.634 10.248 1.259 1.00 0.00 O ATOM 626 OD2 ASP A 43 -18.619 9.645 0.490 1.00 0.00 O ATOM 0 H ASP A 43 -15.518 5.495 0.835 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.265 8.260 1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.327 8.074 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -17.696 7.332 0.257 1.00 0.00 H new ATOM 631 N ARG A 44 -16.551 7.550 3.870 1.00 0.00 N ATOM 632 CA ARG A 44 -17.406 7.264 5.039 1.00 0.00 C ATOM 633 C ARG A 44 -18.808 7.878 4.898 1.00 0.00 C ATOM 634 O ARG A 44 -19.794 7.268 5.308 1.00 0.00 O ATOM 635 CB ARG A 44 -16.685 7.701 6.328 1.00 0.00 C ATOM 636 CG ARG A 44 -17.328 7.059 7.567 1.00 0.00 C ATOM 637 CD ARG A 44 -16.641 7.459 8.875 1.00 0.00 C ATOM 638 NE ARG A 44 -17.299 6.817 10.027 1.00 0.00 N ATOM 639 CZ ARG A 44 -16.973 6.944 11.301 1.00 0.00 C ATOM 640 NH1 ARG A 44 -15.992 7.690 11.710 1.00 0.00 N ATOM 641 NH2 ARG A 44 -17.659 6.315 12.207 1.00 0.00 N ATOM 0 H ARG A 44 -15.812 8.228 4.053 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.572 6.188 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.633 7.420 6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.720 8.787 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -18.379 7.345 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.297 5.974 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.590 7.170 8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.670 8.542 8.990 1.00 0.00 H new ATOM 0 HE ARG A 44 -18.091 6.209 9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.433 8.212 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.781 7.754 12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.446 5.726 11.934 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.411 6.410 13.192 1.00 0.00 H new ATOM 655 N GLU A 45 -18.929 9.035 4.245 1.00 0.00 N ATOM 656 CA GLU A 45 -20.213 9.728 4.032 1.00 0.00 C ATOM 657 C GLU A 45 -21.188 8.888 3.192 1.00 0.00 C ATOM 658 O GLU A 45 -22.294 8.606 3.649 1.00 0.00 O ATOM 659 CB GLU A 45 -19.952 11.108 3.406 1.00 0.00 C ATOM 660 CG GLU A 45 -21.131 12.090 3.527 1.00 0.00 C ATOM 661 CD GLU A 45 -22.303 11.808 2.576 1.00 0.00 C ATOM 662 OE1 GLU A 45 -22.156 12.065 1.357 1.00 0.00 O ATOM 663 OE2 GLU A 45 -23.393 11.410 3.051 1.00 0.00 O ATOM 0 H GLU A 45 -18.132 9.528 3.842 1.00 0.00 H new ATOM 0 HA GLU A 45 -20.698 9.870 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.076 11.550 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.711 10.976 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.500 12.068 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.765 13.100 3.341 1.00 0.00 H new ATOM 670 N THR A 46 -20.763 8.398 2.021 1.00 0.00 N ATOM 671 CA THR A 46 -21.549 7.447 1.203 1.00 0.00 C ATOM 672 C THR A 46 -21.351 5.971 1.587 1.00 0.00 C ATOM 673 O THR A 46 -21.899 5.084 0.936 1.00 0.00 O ATOM 674 CB THR A 46 -21.372 7.672 -0.310 1.00 0.00 C ATOM 675 OG1 THR A 46 -20.020 7.659 -0.714 1.00 0.00 O ATOM 676 CG2 THR A 46 -21.956 9.007 -0.751 1.00 0.00 C ATOM 0 H THR A 46 -19.864 8.646 1.608 1.00 0.00 H new ATOM 0 HA THR A 46 -22.587 7.676 1.445 1.00 0.00 H new ATOM 0 HB THR A 46 -21.901 6.842 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.560 8.441 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.812 9.130 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.021 9.031 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.453 9.817 -0.222 1.00 0.00 H new ATOM 684 N GLY A 47 -20.617 5.680 2.667 1.00 0.00 N ATOM 685 CA GLY A 47 -20.501 4.338 3.251 1.00 0.00 C ATOM 686 C GLY A 47 -19.771 3.305 2.379 1.00 0.00 C ATOM 687 O GLY A 47 -20.098 2.116 2.462 1.00 0.00 O ATOM 0 H GLY A 47 -20.076 6.384 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.979 4.418 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -21.502 3.965 3.466 1.00 0.00 H new ATOM 691 N ARG A 48 -18.817 3.745 1.544 1.00 0.00 N ATOM 692 CA ARG A 48 -17.967 2.919 0.661 1.00 0.00 C ATOM 693 C ARG A 48 -16.508 2.922 1.139 1.00 0.00 C ATOM 694 O ARG A 48 -15.630 3.550 0.542 1.00 0.00 O ATOM 695 CB ARG A 48 -18.137 3.327 -0.818 1.00 0.00 C ATOM 696 CG ARG A 48 -18.050 4.840 -1.062 1.00 0.00 C ATOM 697 CD ARG A 48 -17.762 5.217 -2.520 1.00 0.00 C ATOM 698 NE ARG A 48 -18.707 4.619 -3.485 1.00 0.00 N ATOM 699 CZ ARG A 48 -19.941 5.010 -3.750 1.00 0.00 C ATOM 700 NH1 ARG A 48 -20.524 5.990 -3.116 1.00 0.00 N ATOM 701 NH2 ARG A 48 -20.632 4.409 -4.676 1.00 0.00 N ATOM 0 H ARG A 48 -18.603 4.739 1.459 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.300 1.883 0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -17.371 2.829 -1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -19.102 2.967 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -18.988 5.302 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.267 5.256 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.794 6.302 -2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.750 4.903 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.368 3.811 -4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.025 6.490 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.479 6.256 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.221 3.635 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.584 4.712 -4.879 1.00 0.00 H new ATOM 715 N SER A 49 -16.237 2.247 2.252 1.00 0.00 N ATOM 716 CA SER A 49 -14.903 2.138 2.853 1.00 0.00 C ATOM 717 C SER A 49 -14.121 0.963 2.248 1.00 0.00 C ATOM 718 O SER A 49 -14.193 -0.171 2.734 1.00 0.00 O ATOM 719 CB SER A 49 -15.017 2.057 4.383 1.00 0.00 C ATOM 720 OG SER A 49 -15.990 1.109 4.782 1.00 0.00 O ATOM 0 H SER A 49 -16.954 1.747 2.777 1.00 0.00 H new ATOM 0 HA SER A 49 -14.330 3.036 2.621 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.050 1.787 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.278 3.037 4.782 1.00 0.00 H new ATOM 0 HG SER A 49 -15.867 0.280 4.274 1.00 0.00 H new ATOM 726 N ARG A 50 -13.369 1.210 1.163 1.00 0.00 N ATOM 727 CA ARG A 50 -12.640 0.156 0.427 1.00 0.00 C ATOM 728 C ARG A 50 -11.462 -0.382 1.244 1.00 0.00 C ATOM 729 O ARG A 50 -11.177 -1.577 1.207 1.00 0.00 O ATOM 730 CB ARG A 50 -12.160 0.654 -0.953 1.00 0.00 C ATOM 731 CG ARG A 50 -13.148 1.515 -1.755 1.00 0.00 C ATOM 732 CD ARG A 50 -14.509 0.900 -2.046 1.00 0.00 C ATOM 733 NE ARG A 50 -14.422 -0.305 -2.893 1.00 0.00 N ATOM 734 CZ ARG A 50 -14.821 -1.528 -2.593 1.00 0.00 C ATOM 735 NH1 ARG A 50 -15.430 -1.833 -1.486 1.00 0.00 N ATOM 736 NH2 ARG A 50 -14.619 -2.507 -3.419 1.00 0.00 N ATOM 0 H ARG A 50 -13.247 2.143 0.769 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.341 -0.662 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.246 1.230 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.897 -0.215 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.305 2.448 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.681 1.773 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.995 0.643 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.139 1.640 -2.539 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.006 -0.179 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.623 -1.109 -0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.715 -2.796 -1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.149 -2.336 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.930 -3.448 -3.180 1.00 0.00 H new ATOM 750 N GLY A 51 -10.808 0.484 2.024 1.00 0.00 N ATOM 751 CA GLY A 51 -9.812 0.084 3.026 1.00 0.00 C ATOM 752 C GLY A 51 -8.512 -0.506 2.454 1.00 0.00 C ATOM 753 O GLY A 51 -7.805 -1.249 3.145 1.00 0.00 O ATOM 0 H GLY A 51 -10.956 1.492 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.562 0.953 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.264 -0.651 3.692 1.00 0.00 H new ATOM 757 N PHE A 52 -8.184 -0.175 1.206 1.00 0.00 N ATOM 758 CA PHE A 52 -6.956 -0.565 0.514 1.00 0.00 C ATOM 759 C PHE A 52 -6.350 0.608 -0.262 1.00 0.00 C ATOM 760 O PHE A 52 -6.956 1.675 -0.408 1.00 0.00 O ATOM 761 CB PHE A 52 -7.200 -1.786 -0.398 1.00 0.00 C ATOM 762 CG PHE A 52 -8.322 -1.681 -1.422 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.217 -0.815 -2.530 1.00 0.00 C ATOM 764 CD2 PHE A 52 -9.447 -2.521 -1.313 1.00 0.00 C ATOM 765 CE1 PHE A 52 -9.228 -0.790 -3.510 1.00 0.00 C ATOM 766 CE2 PHE A 52 -10.456 -2.499 -2.292 1.00 0.00 C ATOM 767 CZ PHE A 52 -10.347 -1.632 -3.391 1.00 0.00 C ATOM 0 H PHE A 52 -8.794 0.398 0.623 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.227 -0.857 1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.274 -1.998 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.404 -2.647 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.358 -0.168 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.536 -3.189 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.143 -0.122 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.314 -3.148 -2.199 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.122 -1.612 -4.143 1.00 0.00 H new ATOM 777 N GLY A 53 -5.141 0.384 -0.769 1.00 0.00 N ATOM 778 CA GLY A 53 -4.402 1.323 -1.593 1.00 0.00 C ATOM 779 C GLY A 53 -3.416 0.644 -2.537 1.00 0.00 C ATOM 780 O GLY A 53 -3.274 -0.580 -2.558 1.00 0.00 O ATOM 0 H GLY A 53 -4.636 -0.487 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.105 1.916 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.860 2.015 -0.948 1.00 0.00 H new ATOM 784 N PHE A 54 -2.698 1.470 -3.290 1.00 0.00 N ATOM 785 CA PHE A 54 -1.434 1.106 -3.933 1.00 0.00 C ATOM 786 C PHE A 54 -0.293 1.896 -3.284 1.00 0.00 C ATOM 787 O PHE A 54 -0.530 2.982 -2.761 1.00 0.00 O ATOM 788 CB PHE A 54 -1.509 1.345 -5.447 1.00 0.00 C ATOM 789 CG PHE A 54 -2.570 0.523 -6.156 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.332 -0.832 -6.448 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.794 1.108 -6.529 1.00 0.00 C ATOM 792 CE1 PHE A 54 -3.307 -1.597 -7.115 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.770 0.344 -7.195 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.526 -1.008 -7.487 1.00 0.00 C ATOM 0 H PHE A 54 -2.982 2.432 -3.476 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.241 0.043 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.704 2.402 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.537 1.121 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.396 -1.288 -6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.985 2.147 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.118 -2.636 -7.340 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.707 0.797 -7.482 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.276 -1.594 -7.997 1.00 0.00 H new ATOM 804 N VAL A 55 0.936 1.385 -3.330 1.00 0.00 N ATOM 805 CA VAL A 55 2.152 2.058 -2.842 1.00 0.00 C ATOM 806 C VAL A 55 3.285 1.905 -3.863 1.00 0.00 C ATOM 807 O VAL A 55 3.347 0.897 -4.572 1.00 0.00 O ATOM 808 CB VAL A 55 2.514 1.566 -1.424 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.815 0.066 -1.354 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.704 2.319 -0.822 1.00 0.00 C ATOM 0 H VAL A 55 1.126 0.462 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 55 1.971 3.129 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 55 1.616 1.771 -0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.061 -0.208 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.940 -0.496 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.658 -0.167 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.913 1.931 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.580 2.182 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.467 3.381 -0.756 1.00 0.00 H new ATOM 820 N SER A 56 4.146 2.920 -3.988 1.00 0.00 N ATOM 821 CA SER A 56 5.156 3.022 -5.049 1.00 0.00 C ATOM 822 C SER A 56 6.517 3.534 -4.555 1.00 0.00 C ATOM 823 O SER A 56 6.596 4.428 -3.709 1.00 0.00 O ATOM 824 CB SER A 56 4.604 3.898 -6.182 1.00 0.00 C ATOM 825 OG SER A 56 5.468 3.934 -7.305 1.00 0.00 O ATOM 0 H SER A 56 4.162 3.710 -3.342 1.00 0.00 H new ATOM 0 HA SER A 56 5.351 2.015 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.629 3.519 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.450 4.912 -5.812 1.00 0.00 H new ATOM 0 HG SER A 56 5.879 3.053 -7.430 1.00 0.00 H new ATOM 831 N PHE A 57 7.589 2.970 -5.122 1.00 0.00 N ATOM 832 CA PHE A 57 9.002 3.235 -4.815 1.00 0.00 C ATOM 833 C PHE A 57 9.739 3.888 -6.000 1.00 0.00 C ATOM 834 O PHE A 57 9.240 3.907 -7.128 1.00 0.00 O ATOM 835 CB PHE A 57 9.685 1.906 -4.444 1.00 0.00 C ATOM 836 CG PHE A 57 9.395 1.388 -3.049 1.00 0.00 C ATOM 837 CD1 PHE A 57 10.212 1.786 -1.974 1.00 0.00 C ATOM 838 CD2 PHE A 57 8.354 0.467 -2.828 1.00 0.00 C ATOM 839 CE1 PHE A 57 10.007 1.255 -0.690 1.00 0.00 C ATOM 840 CE2 PHE A 57 8.154 -0.073 -1.545 1.00 0.00 C ATOM 841 CZ PHE A 57 8.989 0.312 -0.480 1.00 0.00 C ATOM 0 H PHE A 57 7.488 2.270 -5.857 1.00 0.00 H new ATOM 0 HA PHE A 57 9.046 3.936 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.379 1.147 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.763 2.030 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.002 2.504 -2.138 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.709 0.175 -3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 57 10.631 1.571 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.359 -0.784 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 57 8.846 -0.119 0.500 1.00 0.00 H new ATOM 851 N SER A 58 10.957 4.384 -5.757 1.00 0.00 N ATOM 852 CA SER A 58 11.869 4.888 -6.799 1.00 0.00 C ATOM 853 C SER A 58 12.958 3.881 -7.227 1.00 0.00 C ATOM 854 O SER A 58 13.601 4.106 -8.255 1.00 0.00 O ATOM 855 CB SER A 58 12.438 6.259 -6.397 1.00 0.00 C ATOM 856 OG SER A 58 12.860 6.305 -5.043 1.00 0.00 O ATOM 0 H SER A 58 11.347 4.449 -4.817 1.00 0.00 H new ATOM 0 HA SER A 58 11.273 5.022 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.281 6.501 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.680 7.024 -6.562 1.00 0.00 H new ATOM 0 HG SER A 58 13.214 7.196 -4.841 1.00 0.00 H new ATOM 862 N ASN A 59 13.134 2.756 -6.517 1.00 0.00 N ATOM 863 CA ASN A 59 14.028 1.647 -6.888 1.00 0.00 C ATOM 864 C ASN A 59 13.450 0.246 -6.601 1.00 0.00 C ATOM 865 O ASN A 59 12.602 0.047 -5.729 1.00 0.00 O ATOM 866 CB ASN A 59 15.380 1.817 -6.168 1.00 0.00 C ATOM 867 CG ASN A 59 16.268 2.836 -6.849 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.465 3.950 -6.384 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.870 2.462 -7.950 1.00 0.00 N ATOM 0 H ASN A 59 12.642 2.587 -5.640 1.00 0.00 H new ATOM 0 HA ASN A 59 14.153 1.700 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.204 2.123 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 59 15.894 0.856 -6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.508 3.101 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.701 1.532 -8.333 1.00 0.00 H new ATOM 876 N GLU A 60 13.997 -0.753 -7.300 1.00 0.00 N ATOM 877 CA GLU A 60 13.617 -2.170 -7.209 1.00 0.00 C ATOM 878 C GLU A 60 14.074 -2.809 -5.888 1.00 0.00 C ATOM 879 O GLU A 60 13.340 -3.586 -5.276 1.00 0.00 O ATOM 880 CB GLU A 60 14.251 -2.937 -8.386 1.00 0.00 C ATOM 881 CG GLU A 60 13.627 -4.325 -8.574 1.00 0.00 C ATOM 882 CD GLU A 60 14.415 -5.158 -9.588 1.00 0.00 C ATOM 883 OE1 GLU A 60 14.263 -4.945 -10.814 1.00 0.00 O ATOM 884 OE2 GLU A 60 15.220 -6.025 -9.170 1.00 0.00 O ATOM 0 H GLU A 60 14.747 -0.592 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 60 12.529 -2.227 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.130 -2.359 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.322 -3.042 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.598 -4.846 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.596 -4.220 -8.910 1.00 0.00 H new ATOM 891 N GLN A 61 15.285 -2.460 -5.438 1.00 0.00 N ATOM 892 CA GLN A 61 15.940 -3.070 -4.273 1.00 0.00 C ATOM 893 C GLN A 61 15.128 -2.892 -2.979 1.00 0.00 C ATOM 894 O GLN A 61 15.097 -3.804 -2.151 1.00 0.00 O ATOM 895 CB GLN A 61 17.340 -2.460 -4.096 1.00 0.00 C ATOM 896 CG GLN A 61 18.303 -2.723 -5.267 1.00 0.00 C ATOM 897 CD GLN A 61 19.645 -2.041 -5.020 1.00 0.00 C ATOM 898 OE1 GLN A 61 19.758 -0.825 -5.099 1.00 0.00 O ATOM 899 NE2 GLN A 61 20.686 -2.773 -4.690 1.00 0.00 N ATOM 0 H GLN A 61 15.848 -1.733 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 61 16.013 -4.141 -4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.239 -1.383 -3.960 1.00 0.00 H new ATOM 0 HB3 GLN A 61 17.782 -2.856 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.451 -3.796 -5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.866 -2.353 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.596 -3.787 -4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.584 -2.327 -4.501 1.00 0.00 H new ATOM 908 N ALA A 62 14.442 -1.754 -2.827 1.00 0.00 N ATOM 909 CA ALA A 62 13.534 -1.492 -1.712 1.00 0.00 C ATOM 910 C ALA A 62 12.152 -2.125 -1.936 1.00 0.00 C ATOM 911 O ALA A 62 11.665 -2.845 -1.067 1.00 0.00 O ATOM 912 CB ALA A 62 13.446 0.023 -1.506 1.00 0.00 C ATOM 0 H ALA A 62 14.505 -0.979 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 62 13.926 -1.957 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.772 0.239 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.437 0.418 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.067 0.492 -2.414 1.00 0.00 H new ATOM 918 N MET A 63 11.558 -1.917 -3.120 1.00 0.00 N ATOM 919 CA MET A 63 10.274 -2.487 -3.554 1.00 0.00 C ATOM 920 C MET A 63 10.163 -3.992 -3.260 1.00 0.00 C ATOM 921 O MET A 63 9.229 -4.442 -2.594 1.00 0.00 O ATOM 922 CB MET A 63 10.143 -2.190 -5.063 1.00 0.00 C ATOM 923 CG MET A 63 9.095 -2.974 -5.865 1.00 0.00 C ATOM 924 SD MET A 63 7.372 -2.453 -5.692 1.00 0.00 S ATOM 925 CE MET A 63 6.684 -3.540 -6.971 1.00 0.00 C ATOM 0 H MET A 63 11.978 -1.320 -3.833 1.00 0.00 H new ATOM 0 HA MET A 63 9.457 -2.032 -2.994 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.924 -1.128 -5.176 1.00 0.00 H new ATOM 0 HB3 MET A 63 11.115 -2.366 -5.523 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.362 -2.916 -6.920 1.00 0.00 H new ATOM 0 HG3 MET A 63 9.163 -4.023 -5.577 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.595 -3.490 -6.944 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.038 -3.218 -7.951 1.00 0.00 H new ATOM 0 HE3 MET A 63 7.005 -4.566 -6.788 1.00 0.00 H new ATOM 935 N GLN A 64 11.113 -4.783 -3.758 1.00 0.00 N ATOM 936 CA GLN A 64 11.006 -6.242 -3.755 1.00 0.00 C ATOM 937 C GLN A 64 11.466 -6.896 -2.445 1.00 0.00 C ATOM 938 O GLN A 64 10.945 -7.949 -2.068 1.00 0.00 O ATOM 939 CB GLN A 64 11.737 -6.804 -4.974 1.00 0.00 C ATOM 940 CG GLN A 64 11.109 -6.316 -6.296 1.00 0.00 C ATOM 941 CD GLN A 64 11.662 -7.035 -7.519 1.00 0.00 C ATOM 942 OE1 GLN A 64 12.529 -7.899 -7.441 1.00 0.00 O ATOM 943 NE2 GLN A 64 11.182 -6.718 -8.696 1.00 0.00 N ATOM 0 H GLN A 64 11.976 -4.432 -4.174 1.00 0.00 H new ATOM 0 HA GLN A 64 9.948 -6.495 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.785 -6.506 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.714 -7.893 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.029 -6.460 -6.254 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.284 -5.245 -6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.461 -6.001 -8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.530 -7.188 -9.532 1.00 0.00 H new ATOM 952 N ASP A 65 12.396 -6.270 -1.719 1.00 0.00 N ATOM 953 CA ASP A 65 12.753 -6.682 -0.355 1.00 0.00 C ATOM 954 C ASP A 65 11.651 -6.315 0.656 1.00 0.00 C ATOM 955 O ASP A 65 11.424 -7.066 1.606 1.00 0.00 O ATOM 956 CB ASP A 65 14.113 -6.076 0.029 1.00 0.00 C ATOM 957 CG ASP A 65 14.706 -6.671 1.311 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.692 -7.912 1.478 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.267 -5.911 2.134 1.00 0.00 O ATOM 0 H ASP A 65 12.923 -5.465 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 65 12.841 -7.768 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.814 -6.228 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.000 -4.999 0.156 1.00 0.00 H new ATOM 964 N ALA A 66 10.911 -5.222 0.423 1.00 0.00 N ATOM 965 CA ALA A 66 9.714 -4.898 1.199 1.00 0.00 C ATOM 966 C ALA A 66 8.626 -5.957 0.983 1.00 0.00 C ATOM 967 O ALA A 66 8.199 -6.587 1.945 1.00 0.00 O ATOM 968 CB ALA A 66 9.223 -3.484 0.859 1.00 0.00 C ATOM 0 H ALA A 66 11.127 -4.543 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 66 9.965 -4.909 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.332 -3.258 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.004 -2.761 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.984 -3.428 -0.203 1.00 0.00 H new ATOM 974 N ILE A 67 8.215 -6.217 -0.263 1.00 0.00 N ATOM 975 CA ILE A 67 7.189 -7.223 -0.607 1.00 0.00 C ATOM 976 C ILE A 67 7.498 -8.603 0.007 1.00 0.00 C ATOM 977 O ILE A 67 6.635 -9.165 0.691 1.00 0.00 O ATOM 978 CB ILE A 67 6.994 -7.275 -2.143 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.286 -5.983 -2.619 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.172 -8.502 -2.579 1.00 0.00 C ATOM 981 CD1 ILE A 67 6.338 -5.775 -4.137 1.00 0.00 C ATOM 0 H ILE A 67 8.588 -5.730 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 67 6.242 -6.918 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 67 7.980 -7.356 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.244 -6.012 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.746 -5.125 -2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.060 -8.498 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.686 -9.412 -2.270 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.188 -8.465 -2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.822 -4.850 -4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.377 -5.713 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.852 -6.613 -4.636 1.00 0.00 H new ATOM 993 N GLU A 68 8.723 -9.125 -0.148 1.00 0.00 N ATOM 994 CA GLU A 68 9.126 -10.413 0.454 1.00 0.00 C ATOM 995 C GLU A 68 9.164 -10.422 1.996 1.00 0.00 C ATOM 996 O GLU A 68 9.120 -11.502 2.592 1.00 0.00 O ATOM 997 CB GLU A 68 10.484 -10.870 -0.105 1.00 0.00 C ATOM 998 CG GLU A 68 10.383 -11.471 -1.514 1.00 0.00 C ATOM 999 CD GLU A 68 9.488 -12.716 -1.591 1.00 0.00 C ATOM 1000 OE1 GLU A 68 9.544 -13.580 -0.679 1.00 0.00 O ATOM 1001 OE2 GLU A 68 8.719 -12.840 -2.576 1.00 0.00 O ATOM 0 H GLU A 68 9.461 -8.674 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 68 8.342 -11.115 0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.166 -10.020 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.918 -11.609 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.996 -10.714 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.383 -11.731 -1.861 1.00 0.00 H new ATOM 1008 N GLY A 69 9.210 -9.250 2.640 1.00 0.00 N ATOM 1009 CA GLY A 69 9.090 -9.076 4.091 1.00 0.00 C ATOM 1010 C GLY A 69 7.691 -8.673 4.585 1.00 0.00 C ATOM 1011 O GLY A 69 7.448 -8.724 5.794 1.00 0.00 O ATOM 0 H GLY A 69 9.336 -8.366 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.376 -10.008 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.804 -8.317 4.411 1.00 0.00 H new ATOM 1015 N MET A 70 6.774 -8.274 3.694 1.00 0.00 N ATOM 1016 CA MET A 70 5.501 -7.618 4.035 1.00 0.00 C ATOM 1017 C MET A 70 4.355 -8.577 4.334 1.00 0.00 C ATOM 1018 O MET A 70 3.598 -8.325 5.267 1.00 0.00 O ATOM 1019 CB MET A 70 5.077 -6.673 2.886 1.00 0.00 C ATOM 1020 CG MET A 70 5.624 -5.257 3.104 1.00 0.00 C ATOM 1021 SD MET A 70 4.782 -4.339 4.424 1.00 0.00 S ATOM 1022 CE MET A 70 5.936 -2.960 4.655 1.00 0.00 C ATOM 0 H MET A 70 6.898 -8.401 2.690 1.00 0.00 H new ATOM 0 HA MET A 70 5.692 -7.068 4.957 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.441 -7.064 1.936 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.989 -6.640 2.821 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.686 -5.321 3.340 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.537 -4.697 2.173 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.399 -2.099 5.054 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.719 -3.254 5.353 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.384 -2.696 3.697 1.00 0.00 H new ATOM 1032 N ASN A 71 4.184 -9.645 3.549 1.00 0.00 N ATOM 1033 CA ASN A 71 2.910 -10.377 3.517 1.00 0.00 C ATOM 1034 C ASN A 71 2.553 -11.016 4.882 1.00 0.00 C ATOM 1035 O ASN A 71 3.163 -12.002 5.300 1.00 0.00 O ATOM 1036 CB ASN A 71 2.922 -11.378 2.338 1.00 0.00 C ATOM 1037 CG ASN A 71 1.565 -11.568 1.683 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.589 -10.892 1.978 1.00 0.00 O ATOM 1039 ND2 ASN A 71 1.439 -12.479 0.755 1.00 0.00 N ATOM 0 H ASN A 71 4.904 -10.021 2.932 1.00 0.00 H new ATOM 0 HA ASN A 71 2.099 -9.670 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.633 -11.032 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.281 -12.343 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.540 -12.615 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.240 -13.054 0.493 1.00 0.00 H new ATOM 1046 N GLY A 72 1.570 -10.431 5.580 1.00 0.00 N ATOM 1047 CA GLY A 72 1.128 -10.835 6.924 1.00 0.00 C ATOM 1048 C GLY A 72 1.610 -9.983 8.112 1.00 0.00 C ATOM 1049 O GLY A 72 1.115 -10.203 9.219 1.00 0.00 O ATOM 0 H GLY A 72 1.043 -9.638 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.038 -10.840 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.453 -11.862 7.091 1.00 0.00 H new ATOM 1053 N LYS A 73 2.506 -8.997 7.931 1.00 0.00 N ATOM 1054 CA LYS A 73 2.903 -8.052 9.004 1.00 0.00 C ATOM 1055 C LYS A 73 1.723 -7.190 9.473 1.00 0.00 C ATOM 1056 O LYS A 73 0.792 -6.941 8.708 1.00 0.00 O ATOM 1057 CB LYS A 73 4.055 -7.141 8.524 1.00 0.00 C ATOM 1058 CG LYS A 73 5.434 -7.823 8.468 1.00 0.00 C ATOM 1059 CD LYS A 73 6.263 -7.715 9.762 1.00 0.00 C ATOM 1060 CE LYS A 73 5.679 -8.488 10.947 1.00 0.00 C ATOM 1061 NZ LYS A 73 6.539 -8.378 12.148 1.00 0.00 N ATOM 0 H LYS A 73 2.977 -8.828 7.042 1.00 0.00 H new ATOM 0 HA LYS A 73 3.241 -8.650 9.850 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.811 -6.763 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.118 -6.278 9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.292 -8.878 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.006 -7.386 7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.271 -8.080 9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.352 -6.664 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.684 -8.107 11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.564 -9.538 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.112 -8.914 12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.481 -8.765 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.628 -7.378 12.421 1.00 0.00 H new ATOM 1075 N GLU A 74 1.783 -6.685 10.708 1.00 0.00 N ATOM 1076 CA GLU A 74 0.796 -5.727 11.214 1.00 0.00 C ATOM 1077 C GLU A 74 1.147 -4.279 10.824 1.00 0.00 C ATOM 1078 O GLU A 74 2.144 -3.710 11.283 1.00 0.00 O ATOM 1079 CB GLU A 74 0.481 -5.933 12.711 1.00 0.00 C ATOM 1080 CG GLU A 74 1.515 -5.504 13.769 1.00 0.00 C ATOM 1081 CD GLU A 74 2.677 -6.482 13.979 1.00 0.00 C ATOM 1082 OE1 GLU A 74 3.385 -6.877 13.018 1.00 0.00 O ATOM 1083 OE2 GLU A 74 2.919 -6.862 15.149 1.00 0.00 O ATOM 0 H GLU A 74 2.511 -6.926 11.381 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.149 -5.934 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.446 -5.402 12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.282 -6.994 12.860 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.924 -4.535 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.002 -5.365 14.720 1.00 0.00 H new ATOM 1090 N LEU A 75 0.330 -3.676 9.955 1.00 0.00 N ATOM 1091 CA LEU A 75 0.445 -2.286 9.504 1.00 0.00 C ATOM 1092 C LEU A 75 -0.886 -1.560 9.758 1.00 0.00 C ATOM 1093 O LEU A 75 -1.957 -2.034 9.375 1.00 0.00 O ATOM 1094 CB LEU A 75 0.870 -2.205 8.023 1.00 0.00 C ATOM 1095 CG LEU A 75 2.326 -2.567 7.648 1.00 0.00 C ATOM 1096 CD1 LEU A 75 3.385 -1.925 8.543 1.00 0.00 C ATOM 1097 CD2 LEU A 75 2.616 -4.064 7.645 1.00 0.00 C ATOM 0 H LEU A 75 -0.460 -4.162 9.530 1.00 0.00 H new ATOM 0 HA LEU A 75 1.229 -1.789 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.210 -2.859 7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.684 -1.187 7.681 1.00 0.00 H new ATOM 0 HG LEU A 75 2.397 -2.166 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.377 -2.231 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.302 -0.840 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.233 -2.245 9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.658 -4.232 7.372 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.431 -4.473 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.967 -4.559 6.922 1.00 0.00 H new ATOM 1109 N ASP A 76 -0.807 -0.428 10.456 1.00 0.00 N ATOM 1110 CA ASP A 76 -1.915 0.261 11.135 1.00 0.00 C ATOM 1111 C ASP A 76 -2.787 -0.657 12.024 1.00 0.00 C ATOM 1112 O ASP A 76 -3.999 -0.473 12.145 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.699 1.145 10.152 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.513 2.212 10.889 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -2.922 2.952 11.715 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.736 2.333 10.630 1.00 0.00 O ATOM 0 H ASP A 76 0.079 0.064 10.572 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.470 0.936 11.866 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.007 1.626 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.366 0.524 9.554 1.00 0.00 H new ATOM 1121 N GLY A 77 -2.176 -1.682 12.631 1.00 0.00 N ATOM 1122 CA GLY A 77 -2.859 -2.699 13.444 1.00 0.00 C ATOM 1123 C GLY A 77 -3.701 -3.719 12.662 1.00 0.00 C ATOM 1124 O GLY A 77 -4.400 -4.534 13.274 1.00 0.00 O ATOM 0 H GLY A 77 -1.169 -1.832 12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.109 -3.240 14.021 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.507 -2.192 14.159 1.00 0.00 H new ATOM 1128 N ARG A 78 -3.634 -3.708 11.326 1.00 0.00 N ATOM 1129 CA ARG A 78 -4.266 -4.676 10.413 1.00 0.00 C ATOM 1130 C ARG A 78 -3.217 -5.624 9.831 1.00 0.00 C ATOM 1131 O ARG A 78 -2.073 -5.224 9.639 1.00 0.00 O ATOM 1132 CB ARG A 78 -4.983 -3.906 9.294 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.230 -3.143 9.774 1.00 0.00 C ATOM 1134 CD ARG A 78 -7.443 -4.047 10.052 1.00 0.00 C ATOM 1135 NE ARG A 78 -7.842 -4.803 8.851 1.00 0.00 N ATOM 1136 CZ ARG A 78 -8.351 -4.299 7.744 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.737 -3.060 7.667 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -8.442 -5.023 6.671 1.00 0.00 N ATOM 0 H ARG A 78 -3.112 -2.989 10.824 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.991 -5.278 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.285 -3.199 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.274 -4.606 8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.981 -2.595 10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.504 -2.404 9.021 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.203 -4.742 10.857 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.280 -3.439 10.395 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.712 -5.814 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.650 -2.447 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.127 -2.700 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.118 -5.990 6.679 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.837 -4.625 5.819 1.00 0.00 H new ATOM 1152 N SER A 79 -3.595 -6.864 9.529 1.00 0.00 N ATOM 1153 CA SER A 79 -2.703 -7.824 8.864 1.00 0.00 C ATOM 1154 C SER A 79 -2.648 -7.527 7.367 1.00 0.00 C ATOM 1155 O SER A 79 -3.647 -7.691 6.661 1.00 0.00 O ATOM 1156 CB SER A 79 -3.155 -9.264 9.102 1.00 0.00 C ATOM 1157 OG SER A 79 -2.942 -9.606 10.458 1.00 0.00 O ATOM 0 H SER A 79 -4.523 -7.235 9.735 1.00 0.00 H new ATOM 0 HA SER A 79 -1.706 -7.715 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.210 -9.372 8.850 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.601 -9.942 8.453 1.00 0.00 H new ATOM 0 HG SER A 79 -3.233 -10.529 10.612 1.00 0.00 H new ATOM 1163 N ILE A 80 -1.494 -7.075 6.877 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.361 -6.620 5.490 1.00 0.00 C ATOM 1165 C ILE A 80 -1.391 -7.782 4.491 1.00 0.00 C ATOM 1166 O ILE A 80 -1.000 -8.917 4.792 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.133 -5.699 5.320 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.256 -4.783 4.081 1.00 0.00 C ATOM 1169 CG2 ILE A 80 1.173 -6.508 5.256 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.677 -3.566 4.142 1.00 0.00 C ATOM 0 H ILE A 80 -0.634 -7.013 7.421 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.237 -6.016 5.254 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.102 -5.061 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.032 -5.361 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.287 -4.440 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.017 -5.828 5.136 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.294 -7.077 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.136 -7.193 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.545 -2.961 3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.438 -2.968 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.712 -3.903 4.203 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.808 -7.458 3.271 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.696 -8.310 2.085 1.00 0.00 C ATOM 1184 C VAL A 81 -0.986 -7.509 1.000 1.00 0.00 C ATOM 1185 O VAL A 81 -1.368 -6.364 0.748 1.00 0.00 O ATOM 1186 CB VAL A 81 -3.081 -8.805 1.630 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -3.020 -9.536 0.284 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.651 -9.777 2.671 1.00 0.00 C ATOM 0 H VAL A 81 -2.251 -6.561 3.070 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.115 -9.204 2.310 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.715 -7.925 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.020 -9.867 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.634 -8.861 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.362 -10.401 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.631 -10.125 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.980 -10.630 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.747 -9.268 3.630 1.00 0.00 H new ATOM 1198 N VAL A 82 0.042 -8.100 0.382 1.00 0.00 N ATOM 1199 CA VAL A 82 0.824 -7.487 -0.709 1.00 0.00 C ATOM 1200 C VAL A 82 0.699 -8.279 -2.019 1.00 0.00 C ATOM 1201 O VAL A 82 0.788 -9.509 -2.007 1.00 0.00 O ATOM 1202 CB VAL A 82 2.303 -7.253 -0.355 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.416 -6.082 0.625 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.012 -8.476 0.234 1.00 0.00 C ATOM 0 H VAL A 82 0.364 -9.036 0.627 1.00 0.00 H new ATOM 0 HA VAL A 82 0.381 -6.502 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 82 2.806 -7.033 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.464 -5.917 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.006 -5.182 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.858 -6.312 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.049 -8.224 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.509 -8.781 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.983 -9.295 -0.485 1.00 0.00 H new ATOM 1214 N ASN A 83 0.549 -7.593 -3.158 1.00 0.00 N ATOM 1215 CA ASN A 83 0.863 -8.136 -4.493 1.00 0.00 C ATOM 1216 C ASN A 83 1.217 -7.023 -5.495 1.00 0.00 C ATOM 1217 O ASN A 83 0.782 -5.884 -5.357 1.00 0.00 O ATOM 1218 CB ASN A 83 -0.263 -9.035 -5.050 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.607 -8.352 -5.242 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.856 -7.714 -6.253 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.550 -8.515 -4.345 1.00 0.00 N ATOM 0 H ASN A 83 0.203 -6.634 -3.183 1.00 0.00 H new ATOM 0 HA ASN A 83 1.743 -8.766 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.060 -9.441 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.397 -9.880 -4.375 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.474 -8.112 -4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.359 -9.045 -3.495 1.00 0.00 H new ATOM 1228 N GLU A 84 2.005 -7.340 -6.518 1.00 0.00 N ATOM 1229 CA GLU A 84 2.434 -6.396 -7.560 1.00 0.00 C ATOM 1230 C GLU A 84 1.267 -5.771 -8.356 1.00 0.00 C ATOM 1231 O GLU A 84 0.256 -6.418 -8.649 1.00 0.00 O ATOM 1232 CB GLU A 84 3.453 -7.082 -8.484 1.00 0.00 C ATOM 1233 CG GLU A 84 2.864 -8.240 -9.313 1.00 0.00 C ATOM 1234 CD GLU A 84 2.213 -7.813 -10.639 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.612 -6.801 -11.259 1.00 0.00 O ATOM 1236 OE2 GLU A 84 1.304 -8.541 -11.111 1.00 0.00 O ATOM 0 H GLU A 84 2.375 -8.281 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 84 2.908 -5.553 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.871 -6.339 -9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.277 -7.463 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.657 -8.956 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.120 -8.760 -8.709 1.00 0.00 H new ATOM 1243 N ALA A 85 1.416 -4.488 -8.701 1.00 0.00 N ATOM 1244 CA ALA A 85 0.396 -3.681 -9.372 1.00 0.00 C ATOM 1245 C ALA A 85 0.912 -2.901 -10.597 1.00 0.00 C ATOM 1246 O ALA A 85 0.136 -2.212 -11.261 1.00 0.00 O ATOM 1247 CB ALA A 85 -0.242 -2.758 -8.334 1.00 0.00 C ATOM 0 H ALA A 85 2.274 -3.969 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.350 -4.359 -9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.007 -2.146 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.698 -3.357 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.523 -2.112 -7.903 1.00 0.00 H new ATOM 1253 N GLN A 86 2.198 -3.034 -10.949 1.00 0.00 N ATOM 1254 CA GLN A 86 2.725 -2.551 -12.232 1.00 0.00 C ATOM 1255 C GLN A 86 1.921 -3.166 -13.399 1.00 0.00 C ATOM 1256 O GLN A 86 1.517 -2.442 -14.309 1.00 0.00 O ATOM 1257 CB GLN A 86 4.232 -2.870 -12.293 1.00 0.00 C ATOM 1258 CG GLN A 86 4.944 -2.546 -13.623 1.00 0.00 C ATOM 1259 CD GLN A 86 4.472 -1.262 -14.297 1.00 0.00 C ATOM 1260 OE1 GLN A 86 4.070 -1.256 -15.450 1.00 0.00 O ATOM 1261 NE2 GLN A 86 4.485 -0.134 -13.627 1.00 0.00 N ATOM 0 H GLN A 86 2.899 -3.477 -10.355 1.00 0.00 H new ATOM 0 HA GLN A 86 2.611 -1.471 -12.323 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.731 -2.321 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.366 -3.931 -12.082 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.016 -2.471 -13.438 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.797 -3.378 -14.311 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.817 -0.117 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.163 0.726 -14.070 1.00 0.00 H new ATOM 1270 N SER A 87 1.562 -4.455 -13.310 1.00 0.00 N ATOM 1271 CA SER A 87 0.690 -5.136 -14.283 1.00 0.00 C ATOM 1272 C SER A 87 -0.723 -4.549 -14.408 1.00 0.00 C ATOM 1273 O SER A 87 -1.336 -4.676 -15.466 1.00 0.00 O ATOM 1274 CB SER A 87 0.563 -6.616 -13.904 1.00 0.00 C ATOM 1275 OG SER A 87 -0.064 -6.748 -12.638 1.00 0.00 O ATOM 0 H SER A 87 1.872 -5.063 -12.552 1.00 0.00 H new ATOM 0 HA SER A 87 1.172 -4.994 -15.250 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.017 -7.144 -14.661 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.550 -7.078 -13.879 1.00 0.00 H new ATOM 0 HG SER A 87 0.341 -7.494 -12.149 1.00 0.00 H new ATOM 1281 N ARG A 88 -1.272 -3.908 -13.362 1.00 0.00 N ATOM 1282 CA ARG A 88 -2.676 -3.446 -13.322 1.00 0.00 C ATOM 1283 C ARG A 88 -2.927 -2.130 -14.072 1.00 0.00 C ATOM 1284 O ARG A 88 -4.081 -1.784 -14.330 1.00 0.00 O ATOM 1285 CB ARG A 88 -3.163 -3.412 -11.854 1.00 0.00 C ATOM 1286 CG ARG A 88 -4.643 -3.031 -11.646 1.00 0.00 C ATOM 1287 CD ARG A 88 -5.617 -3.873 -12.489 1.00 0.00 C ATOM 1288 NE ARG A 88 -7.007 -3.396 -12.391 1.00 0.00 N ATOM 1289 CZ ARG A 88 -7.549 -2.360 -13.005 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -6.888 -1.603 -13.833 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -8.797 -2.072 -12.788 1.00 0.00 N ATOM 0 H ARG A 88 -0.752 -3.693 -12.512 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.277 -4.168 -13.874 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.995 -4.394 -11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.544 -2.704 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.895 -3.145 -10.592 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.777 -1.978 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.302 -3.851 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.569 -4.912 -12.163 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.623 -3.928 -11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.907 -1.800 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.351 -0.813 -14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.349 -2.644 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.225 -1.274 -13.257 1.00 0.00 H new ATOM 1305 N GLY A 89 -1.866 -1.414 -14.438 1.00 0.00 N ATOM 1306 CA GLY A 89 -1.945 -0.166 -15.195 1.00 0.00 C ATOM 1307 C GLY A 89 -2.215 -0.362 -16.694 1.00 0.00 C ATOM 1308 O GLY A 89 -2.860 -1.333 -17.110 1.00 0.00 O ATOM 0 H GLY A 89 -0.910 -1.690 -14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.735 0.454 -14.772 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.010 0.381 -15.073 1.00 0.00 H new ATOM 1312 N TYR A 90 -1.725 0.581 -17.500 1.00 0.00 N ATOM 1313 CA TYR A 90 -1.806 0.565 -18.968 1.00 0.00 C ATOM 1314 C TYR A 90 -0.459 0.839 -19.670 1.00 0.00 C ATOM 1315 O TYR A 90 -0.419 1.020 -20.887 1.00 0.00 O ATOM 1316 CB TYR A 90 -2.924 1.510 -19.448 1.00 0.00 C ATOM 1317 CG TYR A 90 -2.564 2.987 -19.521 1.00 0.00 C ATOM 1318 CD1 TYR A 90 -2.454 3.759 -18.350 1.00 0.00 C ATOM 1319 CD2 TYR A 90 -2.350 3.592 -20.776 1.00 0.00 C ATOM 1320 CE1 TYR A 90 -2.113 5.124 -18.429 1.00 0.00 C ATOM 1321 CE2 TYR A 90 -2.024 4.958 -20.862 1.00 0.00 C ATOM 1322 CZ TYR A 90 -1.902 5.729 -19.688 1.00 0.00 C ATOM 1323 OH TYR A 90 -1.558 7.042 -19.773 1.00 0.00 O ATOM 0 H TYR A 90 -1.244 1.406 -17.141 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.062 -0.453 -19.262 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.247 1.186 -20.437 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.779 1.397 -18.781 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.632 3.304 -17.387 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.437 3.003 -21.677 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.013 5.708 -17.526 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.867 5.416 -21.827 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.451 7.292 -20.715 1.00 0.00 H new ATOM 1333 N GLY A 91 0.653 0.867 -18.927 1.00 0.00 N ATOM 1334 CA GLY A 91 1.996 1.146 -19.464 1.00 0.00 C ATOM 1335 C GLY A 91 2.974 1.761 -18.455 1.00 0.00 C ATOM 1336 O GLY A 91 4.174 1.847 -18.739 1.00 0.00 O ATOM 0 H GLY A 91 0.649 0.695 -17.922 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.422 0.216 -19.842 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.900 1.821 -20.314 1.00 0.00 H new ATOM 1340 N GLY A 92 2.472 2.171 -17.285 1.00 0.00 N ATOM 1341 CA GLY A 92 3.221 2.644 -16.117 1.00 0.00 C ATOM 1342 C GLY A 92 2.349 2.532 -14.885 1.00 0.00 C ATOM 1343 O GLY A 92 1.717 3.536 -14.496 1.00 0.00 O ATOM 1344 OXT GLY A 92 2.218 1.406 -14.361 1.00 0.00 O ATOM 0 H GLY A 92 1.466 2.182 -17.119 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.129 2.054 -15.989 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.531 3.678 -16.264 1.00 0.00 H new TER 1348 GLY A 92