USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 403 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 39 SER OG : rot 48:sc= 1.09 USER MOD Set 1.2: A 56 THR OG1 : rot 150:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 151:sc= 2.21 USER MOD Set 2.2: A 54 SER OG : rot -16:sc= 1.03 USER MOD Set 2.3: A 57 ASN : amide:sc= 0.714 K(o=4,f=-5.8!) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -113:sc= -0.575 (180deg=0) USER MOD Set 3.2: A 24 GLN : amide:sc= -0.731 X(o=-1.3,f=-1.1) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot -35:sc= 1.37 USER MOD Single : A 8 SER OG : rot -84:sc= 0.0786 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.899 (180deg=0.843) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00156 X(o=-0.0016,f=-0.059) USER MOD Single : A 19 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.49) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.605 K(o=-0.6,f=-2!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.022 (180deg=-0.291) USER MOD Single : A 27 MET CE :methyl -164:sc=-0.00417 (180deg=-0.479) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= -0.0254 (180deg=-0.72) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 1.13 (180deg=-0.245) USER MOD Single : A 31 SER OG : rot 69:sc= 0.835 USER MOD Single : A 34 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=-0.062) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.92 K(o=-0.92,f=-8.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 10.00 N ATOM 2 CA LYS A 1 1.453 0.000 0.000 1.00 10.00 C ATOM 3 C LYS A 1 1.959 0.443 1.374 1.00 10.00 C ATOM 4 O LYS A 1 2.105 1.637 1.631 1.00 10.00 O ATOM 5 CB LYS A 1 1.989 0.849 -1.155 1.00 10.00 C ATOM 6 CG LYS A 1 3.470 0.559 -1.407 1.00 10.00 C ATOM 7 CD LYS A 1 3.644 -0.675 -2.295 1.00 10.00 C ATOM 8 CE LYS A 1 5.096 -0.820 -2.753 1.00 10.00 C ATOM 9 NZ LYS A 1 5.259 -2.037 -3.580 1.00 10.00 N ATOM 0 H1 LYS A 1 -0.347 -0.301 -0.933 1.00 10.00 H new ATOM 0 H2 LYS A 1 -0.347 -0.658 0.727 1.00 10.00 H new ATOM 0 H3 LYS A 1 -0.347 0.958 0.206 1.00 10.00 H new ATOM 0 HA LYS A 1 1.833 -1.007 -0.171 1.00 10.00 H new ATOM 0 HB2 LYS A 1 1.416 0.643 -2.059 1.00 10.00 H new ATOM 0 HB3 LYS A 1 1.856 1.906 -0.926 1.00 10.00 H new ATOM 0 HG2 LYS A 1 3.938 1.422 -1.882 1.00 10.00 H new ATOM 0 HG3 LYS A 1 3.980 0.402 -0.457 1.00 10.00 H new ATOM 0 HD2 LYS A 1 3.341 -1.567 -1.747 1.00 10.00 H new ATOM 0 HD3 LYS A 1 2.991 -0.597 -3.164 1.00 10.00 H new ATOM 0 HE2 LYS A 1 5.392 0.059 -3.326 1.00 10.00 H new ATOM 0 HE3 LYS A 1 5.754 -0.872 -1.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 1 6.250 -2.121 -3.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 1 4.996 -2.874 -3.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 1 4.646 -1.972 -4.417 1.00 10.00 H new ATOM 22 N ASP A 2 2.212 -0.544 2.222 1.00 10.00 N ATOM 23 CA ASP A 2 2.691 -0.271 3.566 1.00 10.00 C ATOM 24 C ASP A 2 3.691 -1.354 3.977 1.00 10.00 C ATOM 25 O ASP A 2 3.572 -2.504 3.558 1.00 10.00 O ATOM 26 CB ASP A 2 1.541 -0.283 4.575 1.00 10.00 C ATOM 27 CG ASP A 2 0.230 0.323 4.068 1.00 10.00 C ATOM 28 OD1 ASP A 2 -0.727 -0.400 3.751 1.00 10.00 O ATOM 29 OD2 ASP A 2 0.214 1.611 4.003 1.00 10.00 O ATOM 0 H ASP A 2 2.094 -1.533 2.004 1.00 10.00 H new ATOM 0 HA ASP A 2 3.158 0.714 3.563 1.00 10.00 H new ATOM 0 HB2 ASP A 2 1.354 -1.313 4.878 1.00 10.00 H new ATOM 0 HB3 ASP A 2 1.854 0.260 5.467 1.00 10.00 H new ATOM 35 N GLY A 3 4.654 -0.947 4.790 1.00 10.00 N ATOM 36 CA GLY A 3 5.656 -1.875 5.287 1.00 10.00 C ATOM 37 C GLY A 3 6.983 -1.161 5.551 1.00 10.00 C ATOM 38 O GLY A 3 6.998 0.014 5.914 1.00 10.00 O ATOM 0 H GLY A 3 4.762 0.013 5.117 1.00 10.00 H new ATOM 0 HA2 GLY A 3 5.301 -2.341 6.206 1.00 10.00 H new ATOM 0 HA3 GLY A 3 5.807 -2.675 4.562 1.00 10.00 H new ATOM 42 N TYR A 4 8.065 -1.901 5.359 1.00 10.00 N ATOM 43 CA TYR A 4 9.383 -1.405 5.715 1.00 10.00 C ATOM 44 C TYR A 4 10.212 -1.104 4.464 1.00 10.00 C ATOM 45 O TYR A 4 10.613 -2.019 3.746 1.00 10.00 O ATOM 46 CB TYR A 4 10.059 -2.530 6.501 1.00 10.00 C ATOM 47 CG TYR A 4 9.183 -3.132 7.602 1.00 10.00 C ATOM 48 CD1 TYR A 4 9.033 -2.471 8.804 1.00 10.00 C ATOM 49 CD2 TYR A 4 8.544 -4.337 7.393 1.00 10.00 C ATOM 50 CE1 TYR A 4 8.209 -3.037 9.840 1.00 10.00 C ATOM 51 CE2 TYR A 4 7.720 -4.904 8.429 1.00 10.00 C ATOM 52 CZ TYR A 4 7.593 -4.226 9.601 1.00 10.00 C ATOM 53 OH TYR A 4 6.815 -4.762 10.580 1.00 10.00 O ATOM 0 H TYR A 4 8.056 -2.840 4.961 1.00 10.00 H new ATOM 0 HA TYR A 4 9.303 -0.482 6.290 1.00 10.00 H new ATOM 0 HB2 TYR A 4 10.349 -3.320 5.808 1.00 10.00 H new ATOM 0 HB3 TYR A 4 10.976 -2.147 6.949 1.00 10.00 H new ATOM 0 HD1 TYR A 4 9.534 -1.528 8.968 1.00 10.00 H new ATOM 0 HD2 TYR A 4 8.662 -4.855 6.453 1.00 10.00 H new ATOM 0 HE1 TYR A 4 8.083 -2.529 10.785 1.00 10.00 H new ATOM 0 HE2 TYR A 4 7.214 -5.846 8.279 1.00 10.00 H new ATOM 0 HH TYR A 4 7.202 -4.553 11.456 1.00 10.00 H new ATOM 63 N PRO A 5 10.450 0.215 4.236 1.00 10.00 N ATOM 64 CA PRO A 5 11.109 0.657 3.019 1.00 10.00 C ATOM 65 C PRO A 5 12.609 0.360 3.069 1.00 10.00 C ATOM 66 O PRO A 5 13.170 0.157 4.145 1.00 10.00 O ATOM 67 CB PRO A 5 10.801 2.142 2.921 1.00 10.00 C ATOM 68 CG PRO A 5 10.377 2.573 4.316 1.00 10.00 C ATOM 69 CD PRO A 5 10.099 1.317 5.127 1.00 10.00 C ATOM 0 HA PRO A 5 10.753 0.131 2.133 1.00 10.00 H new ATOM 0 HB2 PRO A 5 11.676 2.701 2.588 1.00 10.00 H new ATOM 0 HB3 PRO A 5 10.008 2.329 2.197 1.00 10.00 H new ATOM 0 HG2 PRO A 5 11.161 3.166 4.787 1.00 10.00 H new ATOM 0 HG3 PRO A 5 9.487 3.201 4.268 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.696 1.294 6.039 1.00 10.00 H new ATOM 0 HD3 PRO A 5 9.053 1.264 5.429 1.00 10.00 H new ATOM 77 N VAL A 6 13.217 0.344 1.892 1.00 10.00 N ATOM 78 CA VAL A 6 14.649 0.119 1.791 1.00 10.00 C ATOM 79 C VAL A 6 15.226 1.018 0.696 1.00 10.00 C ATOM 80 O VAL A 6 14.769 0.984 -0.445 1.00 10.00 O ATOM 81 CB VAL A 6 14.930 -1.366 1.555 1.00 10.00 C ATOM 82 CG1 VAL A 6 13.794 -2.021 0.768 1.00 10.00 C ATOM 83 CG2 VAL A 6 16.273 -1.564 0.849 1.00 10.00 C ATOM 0 H VAL A 6 12.744 0.483 0.999 1.00 10.00 H new ATOM 0 HA VAL A 6 15.144 0.385 2.725 1.00 10.00 H new ATOM 0 HB VAL A 6 14.988 -1.855 2.527 1.00 10.00 H new ATOM 0 HG11 VAL A 6 14.019 -3.076 0.614 1.00 10.00 H new ATOM 0 HG12 VAL A 6 12.863 -1.926 1.326 1.00 10.00 H new ATOM 0 HG13 VAL A 6 13.689 -1.528 -0.198 1.00 10.00 H new ATOM 0 HG21 VAL A 6 16.449 -2.628 0.693 1.00 10.00 H new ATOM 0 HG22 VAL A 6 16.256 -1.054 -0.114 1.00 10.00 H new ATOM 0 HG23 VAL A 6 17.072 -1.151 1.464 1.00 10.00 H new ATOM 93 N ASP A 7 16.222 1.802 1.083 1.00 10.00 N ATOM 94 CA ASP A 7 16.766 2.814 0.193 1.00 10.00 C ATOM 95 C ASP A 7 18.026 3.414 0.820 1.00 10.00 C ATOM 96 O ASP A 7 19.141 3.078 0.425 1.00 10.00 O ATOM 97 CB ASP A 7 15.763 3.948 -0.030 1.00 10.00 C ATOM 98 CG ASP A 7 14.831 4.229 1.150 1.00 10.00 C ATOM 99 OD1 ASP A 7 13.845 3.510 1.369 1.00 10.00 O ATOM 100 OD2 ASP A 7 15.155 5.248 1.870 1.00 10.00 O ATOM 0 H ASP A 7 16.666 1.757 2.000 1.00 10.00 H new ATOM 0 HA ASP A 7 16.991 2.338 -0.762 1.00 10.00 H new ATOM 0 HB2 ASP A 7 16.314 4.859 -0.263 1.00 10.00 H new ATOM 0 HB3 ASP A 7 15.156 3.710 -0.904 1.00 10.00 H new ATOM 106 N SER A 8 17.806 4.292 1.788 1.00 10.00 N ATOM 107 CA SER A 8 18.772 5.337 2.084 1.00 10.00 C ATOM 108 C SER A 8 19.970 4.746 2.830 1.00 10.00 C ATOM 109 O SER A 8 21.116 5.084 2.537 1.00 10.00 O ATOM 110 CB SER A 8 18.135 6.458 2.907 1.00 10.00 C ATOM 111 OG SER A 8 17.311 5.951 3.954 1.00 10.00 O ATOM 0 H SER A 8 16.973 4.301 2.377 1.00 10.00 H new ATOM 0 HA SER A 8 19.114 5.764 1.141 1.00 10.00 H new ATOM 0 HB2 SER A 8 18.918 7.084 3.334 1.00 10.00 H new ATOM 0 HB3 SER A 8 17.539 7.094 2.253 1.00 10.00 H new ATOM 0 HG SER A 8 16.418 5.755 3.602 1.00 10.00 H new ATOM 117 N LYS A 9 19.664 3.874 3.779 1.00 10.00 N ATOM 118 CA LYS A 9 20.703 3.206 4.545 1.00 10.00 C ATOM 119 C LYS A 9 20.584 1.694 4.348 1.00 10.00 C ATOM 120 O LYS A 9 21.255 0.921 5.030 1.00 10.00 O ATOM 121 CB LYS A 9 20.651 3.642 6.011 1.00 10.00 C ATOM 122 CG LYS A 9 19.294 3.307 6.634 1.00 10.00 C ATOM 123 CD LYS A 9 18.437 4.565 6.789 1.00 10.00 C ATOM 124 CE LYS A 9 18.753 5.286 8.100 1.00 10.00 C ATOM 125 NZ LYS A 9 17.941 6.518 8.223 1.00 10.00 N ATOM 0 H LYS A 9 18.711 3.614 4.035 1.00 10.00 H new ATOM 0 HA LYS A 9 21.690 3.497 4.184 1.00 10.00 H new ATOM 0 HB2 LYS A 9 21.444 3.146 6.570 1.00 10.00 H new ATOM 0 HB3 LYS A 9 20.833 4.714 6.082 1.00 10.00 H new ATOM 0 HG2 LYS A 9 18.772 2.582 6.010 1.00 10.00 H new ATOM 0 HG3 LYS A 9 19.442 2.841 7.608 1.00 10.00 H new ATOM 0 HD2 LYS A 9 18.615 5.236 5.949 1.00 10.00 H new ATOM 0 HD3 LYS A 9 17.381 4.295 6.764 1.00 10.00 H new ATOM 0 HE2 LYS A 9 18.552 4.625 8.943 1.00 10.00 H new ATOM 0 HE3 LYS A 9 19.813 5.537 8.138 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 18.563 7.350 8.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 17.250 6.558 7.446 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 17.438 6.513 9.133 1.00 10.00 H new ATOM 138 N GLY A 10 19.725 1.317 3.412 1.00 10.00 N ATOM 139 CA GLY A 10 19.530 -0.088 3.099 1.00 10.00 C ATOM 140 C GLY A 10 18.535 -0.733 4.066 1.00 10.00 C ATOM 141 O GLY A 10 17.392 -1.001 3.700 1.00 10.00 O ATOM 0 H GLY A 10 19.157 1.960 2.861 1.00 10.00 H new ATOM 0 HA2 GLY A 10 19.166 -0.189 2.076 1.00 10.00 H new ATOM 0 HA3 GLY A 10 20.485 -0.612 3.151 1.00 10.00 H new ATOM 145 N CYS A 11 19.007 -0.964 5.283 1.00 10.00 N ATOM 146 CA CYS A 11 18.263 -1.774 6.233 1.00 10.00 C ATOM 147 C CYS A 11 17.333 -0.852 7.024 1.00 10.00 C ATOM 148 O CYS A 11 17.563 -0.597 8.205 1.00 10.00 O ATOM 149 CB CYS A 11 19.195 -2.568 7.150 1.00 10.00 C ATOM 150 SG CYS A 11 20.126 -3.909 6.324 1.00 10.00 S ATOM 0 H CYS A 11 19.895 -0.604 5.633 1.00 10.00 H new ATOM 0 HA CYS A 11 17.669 -2.515 5.698 1.00 10.00 H new ATOM 0 HB2 CYS A 11 19.906 -1.879 7.606 1.00 10.00 H new ATOM 0 HB3 CYS A 11 18.605 -2.999 7.959 1.00 10.00 H new ATOM 155 N LYS A 12 16.301 -0.378 6.341 1.00 10.00 N ATOM 156 CA LYS A 12 15.151 0.193 7.022 1.00 10.00 C ATOM 157 C LYS A 12 15.542 1.542 7.628 1.00 10.00 C ATOM 158 O LYS A 12 16.723 1.881 7.690 1.00 10.00 O ATOM 159 CB LYS A 12 14.585 -0.798 8.040 1.00 10.00 C ATOM 160 CG LYS A 12 14.532 -2.212 7.458 1.00 10.00 C ATOM 161 CD LYS A 12 13.827 -2.220 6.100 1.00 10.00 C ATOM 162 CE LYS A 12 13.393 -3.636 5.716 1.00 10.00 C ATOM 163 NZ LYS A 12 12.938 -3.674 4.308 1.00 10.00 N ATOM 0 H LYS A 12 16.237 -0.378 5.323 1.00 10.00 H new ATOM 0 HA LYS A 12 14.344 0.383 6.314 1.00 10.00 H new ATOM 0 HB2 LYS A 12 15.202 -0.794 8.939 1.00 10.00 H new ATOM 0 HB3 LYS A 12 13.584 -0.486 8.339 1.00 10.00 H new ATOM 0 HG2 LYS A 12 15.544 -2.602 7.349 1.00 10.00 H new ATOM 0 HG3 LYS A 12 14.008 -2.874 8.148 1.00 10.00 H new ATOM 0 HD2 LYS A 12 12.956 -1.566 6.135 1.00 10.00 H new ATOM 0 HD3 LYS A 12 14.495 -1.821 5.337 1.00 10.00 H new ATOM 0 HE2 LYS A 12 14.224 -4.328 5.855 1.00 10.00 H new ATOM 0 HE3 LYS A 12 12.589 -3.967 6.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 12 12.711 -4.654 4.043 1.00 10.00 H new ATOM 0 HZ2 LYS A 12 12.090 -3.081 4.201 1.00 10.00 H new ATOM 0 HZ3 LYS A 12 13.693 -3.314 3.690 1.00 10.00 H new ATOM 176 N LEU A 13 14.527 2.276 8.060 1.00 10.00 N ATOM 177 CA LEU A 13 14.754 3.529 8.760 1.00 10.00 C ATOM 178 C LEU A 13 14.837 3.261 10.264 1.00 10.00 C ATOM 179 O LEU A 13 15.161 4.158 11.041 1.00 10.00 O ATOM 180 CB LEU A 13 13.689 4.558 8.377 1.00 10.00 C ATOM 181 CG LEU A 13 13.351 4.651 6.887 1.00 10.00 C ATOM 182 CD1 LEU A 13 12.248 5.682 6.638 1.00 10.00 C ATOM 183 CD2 LEU A 13 14.603 4.941 6.058 1.00 10.00 C ATOM 0 H LEU A 13 13.545 2.027 7.939 1.00 10.00 H new ATOM 0 HA LEU A 13 15.707 3.965 8.460 1.00 10.00 H new ATOM 0 HB2 LEU A 13 12.775 4.325 8.923 1.00 10.00 H new ATOM 0 HB3 LEU A 13 14.022 5.539 8.716 1.00 10.00 H new ATOM 0 HG LEU A 13 12.967 3.684 6.563 1.00 10.00 H new ATOM 0 HD11 LEU A 13 12.027 5.728 5.572 1.00 10.00 H new ATOM 0 HD12 LEU A 13 11.349 5.392 7.182 1.00 10.00 H new ATOM 0 HD13 LEU A 13 12.581 6.661 6.982 1.00 10.00 H new ATOM 0 HD21 LEU A 13 14.335 5.002 5.003 1.00 10.00 H new ATOM 0 HD22 LEU A 13 15.039 5.888 6.377 1.00 10.00 H new ATOM 0 HD23 LEU A 13 15.328 4.140 6.202 1.00 10.00 H new ATOM 195 N SER A 14 14.540 2.023 10.629 1.00 10.00 N ATOM 196 CA SER A 14 14.830 1.548 11.971 1.00 10.00 C ATOM 197 C SER A 14 13.769 2.058 12.948 1.00 10.00 C ATOM 198 O SER A 14 12.966 1.280 13.460 1.00 10.00 O ATOM 199 CB SER A 14 16.223 1.990 12.422 1.00 10.00 C ATOM 200 OG SER A 14 16.720 1.185 13.488 1.00 10.00 O ATOM 0 H SER A 14 14.101 1.334 10.018 1.00 10.00 H new ATOM 0 HA SER A 14 14.810 0.458 11.960 1.00 10.00 H new ATOM 0 HB2 SER A 14 16.911 1.938 11.578 1.00 10.00 H new ATOM 0 HB3 SER A 14 16.187 3.032 12.741 1.00 10.00 H new ATOM 0 HG SER A 14 17.612 1.498 13.746 1.00 10.00 H new ATOM 206 N CYS A 15 13.799 3.363 13.176 1.00 10.00 N ATOM 207 CA CYS A 15 13.076 3.945 14.294 1.00 10.00 C ATOM 208 C CYS A 15 13.721 3.452 15.591 1.00 10.00 C ATOM 209 O CYS A 15 14.013 2.265 15.732 1.00 10.00 O ATOM 210 CB CYS A 15 11.584 3.613 14.236 1.00 10.00 C ATOM 211 SG CYS A 15 11.060 2.238 15.325 1.00 10.00 S ATOM 0 H CYS A 15 14.313 4.034 12.605 1.00 10.00 H new ATOM 0 HA CYS A 15 13.141 5.032 14.247 1.00 10.00 H new ATOM 0 HB2 CYS A 15 11.017 4.505 14.503 1.00 10.00 H new ATOM 0 HB3 CYS A 15 11.321 3.364 13.208 1.00 10.00 H new ATOM 216 N VAL A 16 13.923 4.388 16.507 1.00 10.00 N ATOM 217 CA VAL A 16 14.375 4.042 17.844 1.00 10.00 C ATOM 218 C VAL A 16 13.497 4.754 18.874 1.00 10.00 C ATOM 219 O VAL A 16 13.861 4.849 20.045 1.00 10.00 O ATOM 220 CB VAL A 16 15.862 4.371 17.995 1.00 10.00 C ATOM 221 CG1 VAL A 16 16.713 3.505 17.064 1.00 10.00 C ATOM 222 CG2 VAL A 16 16.121 5.859 17.750 1.00 10.00 C ATOM 0 H VAL A 16 13.782 5.386 16.349 1.00 10.00 H new ATOM 0 HA VAL A 16 14.274 2.970 18.017 1.00 10.00 H new ATOM 0 HB VAL A 16 16.153 4.145 19.021 1.00 10.00 H new ATOM 0 HG11 VAL A 16 17.765 3.759 17.191 1.00 10.00 H new ATOM 0 HG12 VAL A 16 16.562 2.453 17.306 1.00 10.00 H new ATOM 0 HG13 VAL A 16 16.419 3.685 16.030 1.00 10.00 H new ATOM 0 HG21 VAL A 16 17.185 6.067 17.863 1.00 10.00 H new ATOM 0 HG22 VAL A 16 15.806 6.122 16.740 1.00 10.00 H new ATOM 0 HG23 VAL A 16 15.557 6.450 18.472 1.00 10.00 H new ATOM 232 N ALA A 17 12.357 5.235 18.402 1.00 10.00 N ATOM 233 CA ALA A 17 11.450 5.983 19.255 1.00 10.00 C ATOM 234 C ALA A 17 10.110 6.159 18.537 1.00 10.00 C ATOM 235 O ALA A 17 10.042 6.075 17.312 1.00 10.00 O ATOM 236 CB ALA A 17 12.089 7.321 19.631 1.00 10.00 C ATOM 0 H ALA A 17 12.040 5.121 17.439 1.00 10.00 H new ATOM 0 HA ALA A 17 11.260 5.441 20.181 1.00 10.00 H new ATOM 0 HB1 ALA A 17 11.408 7.882 20.271 1.00 10.00 H new ATOM 0 HB2 ALA A 17 13.023 7.141 20.164 1.00 10.00 H new ATOM 0 HB3 ALA A 17 12.292 7.894 18.726 1.00 10.00 H new ATOM 242 N ASN A 18 9.077 6.399 19.331 1.00 10.00 N ATOM 243 CA ASN A 18 7.714 6.202 18.866 1.00 10.00 C ATOM 244 C ASN A 18 7.468 7.075 17.634 1.00 10.00 C ATOM 245 O ASN A 18 6.848 6.632 16.669 1.00 10.00 O ATOM 246 CB ASN A 18 6.702 6.604 19.941 1.00 10.00 C ATOM 247 CG ASN A 18 6.879 5.760 21.204 1.00 10.00 C ATOM 248 OD1 ASN A 18 7.609 6.109 22.118 1.00 10.00 O ATOM 249 ND2 ASN A 18 6.172 4.634 21.206 1.00 10.00 N ATOM 0 H ASN A 18 9.156 6.728 20.293 1.00 10.00 H new ATOM 0 HA ASN A 18 7.588 5.146 18.629 1.00 10.00 H new ATOM 0 HB2 ASN A 18 6.825 7.659 20.184 1.00 10.00 H new ATOM 0 HB3 ASN A 18 5.690 6.481 19.556 1.00 10.00 H new ATOM 0 HD21 ASN A 18 6.221 4.002 22.005 1.00 10.00 H new ATOM 0 HD22 ASN A 18 5.580 4.402 20.408 1.00 10.00 H new ATOM 256 N ASN A 19 7.967 8.300 17.707 1.00 10.00 N ATOM 257 CA ASN A 19 7.654 9.297 16.698 1.00 10.00 C ATOM 258 C ASN A 19 8.575 9.102 15.492 1.00 10.00 C ATOM 259 O ASN A 19 8.235 9.496 14.377 1.00 10.00 O ATOM 260 CB ASN A 19 7.873 10.713 17.235 1.00 10.00 C ATOM 261 CG ASN A 19 9.303 10.889 17.750 1.00 10.00 C ATOM 262 OD1 ASN A 19 10.225 11.187 17.008 1.00 10.00 O ATOM 263 ND2 ASN A 19 9.436 10.688 19.058 1.00 10.00 N ATOM 0 H ASN A 19 8.586 8.625 18.450 1.00 10.00 H new ATOM 0 HA ASN A 19 6.608 9.175 16.418 1.00 10.00 H new ATOM 0 HB2 ASN A 19 7.675 11.439 16.447 1.00 10.00 H new ATOM 0 HB3 ASN A 19 7.166 10.914 18.039 1.00 10.00 H new ATOM 0 HD21 ASN A 19 10.352 10.781 19.498 1.00 10.00 H new ATOM 0 HD22 ASN A 19 8.622 10.441 19.621 1.00 10.00 H new ATOM 270 N TYR A 20 9.722 8.493 15.756 1.00 10.00 N ATOM 271 CA TYR A 20 10.875 8.662 14.888 1.00 10.00 C ATOM 272 C TYR A 20 10.571 8.173 13.470 1.00 10.00 C ATOM 273 O TYR A 20 11.038 8.759 12.495 1.00 10.00 O ATOM 274 CB TYR A 20 11.984 7.794 15.487 1.00 10.00 C ATOM 275 CG TYR A 20 13.376 8.089 14.926 1.00 10.00 C ATOM 276 CD1 TYR A 20 13.733 7.614 13.680 1.00 10.00 C ATOM 277 CD2 TYR A 20 14.276 8.830 15.666 1.00 10.00 C ATOM 278 CE1 TYR A 20 15.044 7.891 13.152 1.00 10.00 C ATOM 279 CE2 TYR A 20 15.586 9.107 15.138 1.00 10.00 C ATOM 280 CZ TYR A 20 15.906 8.624 13.907 1.00 10.00 C ATOM 281 OH TYR A 20 17.144 8.886 13.409 1.00 10.00 O ATOM 0 H TYR A 20 9.877 7.882 16.558 1.00 10.00 H new ATOM 0 HA TYR A 20 11.155 9.713 14.823 1.00 10.00 H new ATOM 0 HB2 TYR A 20 12.001 7.938 16.567 1.00 10.00 H new ATOM 0 HB3 TYR A 20 11.747 6.745 15.309 1.00 10.00 H new ATOM 0 HD1 TYR A 20 13.029 7.035 13.101 1.00 10.00 H new ATOM 0 HD2 TYR A 20 13.997 9.202 16.641 1.00 10.00 H new ATOM 0 HE1 TYR A 20 15.336 7.525 12.179 1.00 10.00 H new ATOM 0 HE2 TYR A 20 16.299 9.685 15.706 1.00 10.00 H new ATOM 0 HH TYR A 20 17.651 9.420 14.056 1.00 10.00 H new ATOM 291 N CYS A 21 9.791 7.105 13.402 1.00 10.00 N ATOM 292 CA CYS A 21 9.414 6.534 12.120 1.00 10.00 C ATOM 293 C CYS A 21 8.563 7.559 11.368 1.00 10.00 C ATOM 294 O CYS A 21 8.839 7.872 10.211 1.00 10.00 O ATOM 295 CB CYS A 21 8.685 5.199 12.287 1.00 10.00 C ATOM 296 SG CYS A 21 8.157 4.411 10.722 1.00 10.00 S ATOM 0 H CYS A 21 9.409 6.620 14.214 1.00 10.00 H new ATOM 0 HA CYS A 21 10.310 6.313 11.541 1.00 10.00 H new ATOM 0 HB2 CYS A 21 9.338 4.509 12.822 1.00 10.00 H new ATOM 0 HB3 CYS A 21 7.806 5.357 12.912 1.00 10.00 H new ATOM 301 N ASP A 22 7.545 8.054 12.057 1.00 10.00 N ATOM 302 CA ASP A 22 6.409 8.658 11.383 1.00 10.00 C ATOM 303 C ASP A 22 6.872 9.905 10.628 1.00 10.00 C ATOM 304 O ASP A 22 6.522 10.098 9.465 1.00 10.00 O ATOM 305 CB ASP A 22 5.335 9.084 12.387 1.00 10.00 C ATOM 306 CG ASP A 22 3.997 9.491 11.768 1.00 10.00 C ATOM 307 OD1 ASP A 22 3.726 9.211 10.591 1.00 10.00 O ATOM 308 OD2 ASP A 22 3.203 10.131 12.558 1.00 10.00 O ATOM 0 H ASP A 22 7.484 8.049 13.075 1.00 10.00 H new ATOM 0 HA ASP A 22 5.991 7.919 10.700 1.00 10.00 H new ATOM 0 HB2 ASP A 22 5.162 8.262 13.082 1.00 10.00 H new ATOM 0 HB3 ASP A 22 5.717 9.921 12.972 1.00 10.00 H new ATOM 314 N ASN A 23 7.653 10.721 11.322 1.00 10.00 N ATOM 315 CA ASN A 23 8.096 11.987 10.763 1.00 10.00 C ATOM 316 C ASN A 23 9.052 11.720 9.599 1.00 10.00 C ATOM 317 O ASN A 23 9.135 12.516 8.665 1.00 10.00 O ATOM 318 CB ASN A 23 8.844 12.818 11.808 1.00 10.00 C ATOM 319 CG ASN A 23 10.067 12.065 12.335 1.00 10.00 C ATOM 320 OD1 ASN A 23 9.992 11.285 13.270 1.00 10.00 O ATOM 321 ND2 ASN A 23 11.193 12.340 11.684 1.00 10.00 N ATOM 0 H ASN A 23 7.990 10.530 12.266 1.00 10.00 H new ATOM 0 HA ASN A 23 7.215 12.535 10.429 1.00 10.00 H new ATOM 0 HB2 ASN A 23 9.157 13.765 11.368 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.175 13.056 12.635 1.00 10.00 H new ATOM 0 HD21 ASN A 23 12.065 11.887 11.959 1.00 10.00 H new ATOM 0 HD22 ASN A 23 11.185 13.004 10.909 1.00 10.00 H new ATOM 328 N GLN A 24 9.749 10.597 9.693 1.00 10.00 N ATOM 329 CA GLN A 24 10.741 10.246 8.691 1.00 10.00 C ATOM 330 C GLN A 24 10.064 9.622 7.469 1.00 10.00 C ATOM 331 O GLN A 24 10.540 9.775 6.346 1.00 10.00 O ATOM 332 CB GLN A 24 11.798 9.306 9.273 1.00 10.00 C ATOM 333 CG GLN A 24 13.058 9.292 8.404 1.00 10.00 C ATOM 334 CD GLN A 24 14.096 8.315 8.959 1.00 10.00 C ATOM 335 OE1 GLN A 24 13.957 7.770 10.041 1.00 10.00 O ATOM 336 NE2 GLN A 24 15.141 8.124 8.159 1.00 10.00 N ATOM 0 H GLN A 24 9.646 9.918 10.448 1.00 10.00 H new ATOM 0 HA GLN A 24 11.248 11.158 8.374 1.00 10.00 H new ATOM 0 HB2 GLN A 24 12.053 9.622 10.285 1.00 10.00 H new ATOM 0 HB3 GLN A 24 11.392 8.297 9.347 1.00 10.00 H new ATOM 0 HG2 GLN A 24 12.797 9.010 7.384 1.00 10.00 H new ATOM 0 HG3 GLN A 24 13.484 10.294 8.359 1.00 10.00 H new ATOM 0 HE21 GLN A 24 15.195 8.612 7.265 1.00 10.00 H new ATOM 0 HE22 GLN A 24 15.888 7.489 8.439 1.00 10.00 H new ATOM 345 N CYS A 25 8.964 8.931 7.731 1.00 10.00 N ATOM 346 CA CYS A 25 8.212 8.290 6.665 1.00 10.00 C ATOM 347 C CYS A 25 7.452 9.372 5.896 1.00 10.00 C ATOM 348 O CYS A 25 7.495 9.411 4.667 1.00 10.00 O ATOM 349 CB CYS A 25 7.275 7.209 7.206 1.00 10.00 C ATOM 350 SG CYS A 25 8.115 5.800 8.018 1.00 10.00 S ATOM 0 H CYS A 25 8.576 8.801 8.665 1.00 10.00 H new ATOM 0 HA CYS A 25 8.897 7.779 5.989 1.00 10.00 H new ATOM 0 HB2 CYS A 25 6.590 7.666 7.920 1.00 10.00 H new ATOM 0 HB3 CYS A 25 6.670 6.828 6.383 1.00 10.00 H new ATOM 355 N LYS A 26 6.775 10.224 6.651 1.00 10.00 N ATOM 356 CA LYS A 26 5.844 11.171 6.060 1.00 10.00 C ATOM 357 C LYS A 26 6.626 12.340 5.457 1.00 10.00 C ATOM 358 O LYS A 26 6.053 13.190 4.778 1.00 10.00 O ATOM 359 CB LYS A 26 4.792 11.599 7.085 1.00 10.00 C ATOM 360 CG LYS A 26 5.325 12.714 7.986 1.00 10.00 C ATOM 361 CD LYS A 26 4.548 12.774 9.303 1.00 10.00 C ATOM 362 CE LYS A 26 3.058 13.010 9.050 1.00 10.00 C ATOM 363 NZ LYS A 26 2.850 14.288 8.334 1.00 10.00 N ATOM 0 H LYS A 26 6.852 10.279 7.667 1.00 10.00 H new ATOM 0 HA LYS A 26 5.291 10.703 5.246 1.00 10.00 H new ATOM 0 HB2 LYS A 26 3.895 11.941 6.569 1.00 10.00 H new ATOM 0 HB3 LYS A 26 4.503 10.742 7.693 1.00 10.00 H new ATOM 0 HG2 LYS A 26 6.382 12.547 8.191 1.00 10.00 H new ATOM 0 HG3 LYS A 26 5.248 13.671 7.470 1.00 10.00 H new ATOM 0 HD2 LYS A 26 4.684 11.843 9.852 1.00 10.00 H new ATOM 0 HD3 LYS A 26 4.946 13.574 9.928 1.00 10.00 H new ATOM 0 HE2 LYS A 26 2.648 12.187 8.464 1.00 10.00 H new ATOM 0 HE3 LYS A 26 2.520 13.026 9.998 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 1.845 14.551 8.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 3.422 15.033 8.780 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 3.137 14.180 7.340 1.00 10.00 H new ATOM 376 N MET A 27 7.923 12.345 5.728 1.00 10.00 N ATOM 377 CA MET A 27 8.806 13.341 5.146 1.00 10.00 C ATOM 378 C MET A 27 8.547 13.493 3.645 1.00 10.00 C ATOM 379 O MET A 27 8.500 14.608 3.130 1.00 10.00 O ATOM 380 CB MET A 27 10.262 12.929 5.374 1.00 10.00 C ATOM 381 CG MET A 27 11.213 14.088 5.068 1.00 10.00 C ATOM 382 SD MET A 27 12.858 13.464 4.769 1.00 10.00 S ATOM 383 CE MET A 27 13.170 12.651 6.327 1.00 10.00 C ATOM 0 H MET A 27 8.384 11.675 6.343 1.00 10.00 H new ATOM 0 HA MET A 27 8.611 14.299 5.628 1.00 10.00 H new ATOM 0 HB2 MET A 27 10.395 12.607 6.407 1.00 10.00 H new ATOM 0 HB3 MET A 27 10.506 12.076 4.740 1.00 10.00 H new ATOM 0 HG2 MET A 27 10.860 14.639 4.196 1.00 10.00 H new ATOM 0 HG3 MET A 27 11.227 14.788 5.903 1.00 10.00 H new ATOM 0 HE1 MET A 27 14.237 12.454 6.427 1.00 10.00 H new ATOM 0 HE2 MET A 27 12.841 13.293 7.144 1.00 10.00 H new ATOM 0 HE3 MET A 27 12.622 11.709 6.362 1.00 10.00 H new ATOM 393 N LYS A 28 8.385 12.354 2.987 1.00 10.00 N ATOM 394 CA LYS A 28 8.312 12.332 1.536 1.00 10.00 C ATOM 395 C LYS A 28 7.904 10.933 1.071 1.00 10.00 C ATOM 396 O LYS A 28 7.044 10.789 0.204 1.00 10.00 O ATOM 397 CB LYS A 28 9.626 12.825 0.926 1.00 10.00 C ATOM 398 CG LYS A 28 10.790 11.915 1.324 1.00 10.00 C ATOM 399 CD LYS A 28 12.132 12.548 0.953 1.00 10.00 C ATOM 400 CE LYS A 28 13.296 11.638 1.350 1.00 10.00 C ATOM 401 NZ LYS A 28 13.249 10.373 0.584 1.00 10.00 N ATOM 0 H LYS A 28 8.302 11.440 3.432 1.00 10.00 H new ATOM 0 HA LYS A 28 7.545 13.021 1.183 1.00 10.00 H new ATOM 0 HB2 LYS A 28 9.538 12.855 -0.160 1.00 10.00 H new ATOM 0 HB3 LYS A 28 9.826 13.844 1.258 1.00 10.00 H new ATOM 0 HG2 LYS A 28 10.758 11.725 2.397 1.00 10.00 H new ATOM 0 HG3 LYS A 28 10.689 10.950 0.826 1.00 10.00 H new ATOM 0 HD2 LYS A 28 12.164 12.738 -0.120 1.00 10.00 H new ATOM 0 HD3 LYS A 28 12.233 13.512 1.451 1.00 10.00 H new ATOM 0 HE2 LYS A 28 14.242 12.147 1.166 1.00 10.00 H new ATOM 0 HE3 LYS A 28 13.251 11.425 2.418 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 12.993 9.591 1.220 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 12.539 10.451 -0.172 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 14.182 10.186 0.164 1.00 10.00 H new ATOM 414 N LYS A 29 8.541 9.937 1.669 1.00 10.00 N ATOM 415 CA LYS A 29 8.349 8.562 1.241 1.00 10.00 C ATOM 416 C LYS A 29 6.855 8.228 1.267 1.00 10.00 C ATOM 417 O LYS A 29 6.316 7.704 0.294 1.00 10.00 O ATOM 418 CB LYS A 29 9.205 7.613 2.083 1.00 10.00 C ATOM 419 CG LYS A 29 10.685 7.742 1.718 1.00 10.00 C ATOM 420 CD LYS A 29 11.037 6.842 0.532 1.00 10.00 C ATOM 421 CE LYS A 29 11.311 5.409 0.993 1.00 10.00 C ATOM 422 NZ LYS A 29 11.812 4.588 -0.133 1.00 10.00 N ATOM 0 H LYS A 29 9.191 10.055 2.446 1.00 10.00 H new ATOM 0 HA LYS A 29 8.688 8.433 0.213 1.00 10.00 H new ATOM 0 HB2 LYS A 29 9.067 7.835 3.141 1.00 10.00 H new ATOM 0 HB3 LYS A 29 8.876 6.586 1.927 1.00 10.00 H new ATOM 0 HG2 LYS A 29 10.914 8.779 1.473 1.00 10.00 H new ATOM 0 HG3 LYS A 29 11.300 7.475 2.577 1.00 10.00 H new ATOM 0 HD2 LYS A 29 10.218 6.846 -0.188 1.00 10.00 H new ATOM 0 HD3 LYS A 29 11.914 7.237 0.019 1.00 10.00 H new ATOM 0 HE2 LYS A 29 12.043 5.414 1.801 1.00 10.00 H new ATOM 0 HE3 LYS A 29 10.398 4.969 1.393 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 12.546 3.937 0.212 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 11.027 4.041 -0.540 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 12.216 5.209 -0.863 1.00 10.00 H new ATOM 435 N ALA A 30 6.230 8.547 2.391 1.00 10.00 N ATOM 436 CA ALA A 30 4.971 7.918 2.751 1.00 10.00 C ATOM 437 C ALA A 30 3.952 8.999 3.119 1.00 10.00 C ATOM 438 O ALA A 30 4.277 10.185 3.129 1.00 10.00 O ATOM 439 CB ALA A 30 5.204 6.925 3.891 1.00 10.00 C ATOM 0 H ALA A 30 6.572 9.233 3.064 1.00 10.00 H new ATOM 0 HA ALA A 30 4.567 7.358 1.908 1.00 10.00 H new ATOM 0 HB1 ALA A 30 4.259 6.453 4.161 1.00 10.00 H new ATOM 0 HB2 ALA A 30 5.912 6.161 3.569 1.00 10.00 H new ATOM 0 HB3 ALA A 30 5.607 7.452 4.756 1.00 10.00 H new ATOM 445 N SER A 31 2.740 8.550 3.411 1.00 10.00 N ATOM 446 CA SER A 31 1.733 9.430 3.978 1.00 10.00 C ATOM 447 C SER A 31 1.862 9.459 5.502 1.00 10.00 C ATOM 448 O SER A 31 1.594 10.481 6.132 1.00 10.00 O ATOM 449 CB SER A 31 0.325 8.989 3.572 1.00 10.00 C ATOM 450 OG SER A 31 0.199 8.837 2.161 1.00 10.00 O ATOM 0 H SER A 31 2.433 7.588 3.265 1.00 10.00 H new ATOM 0 HA SER A 31 1.897 10.434 3.587 1.00 10.00 H new ATOM 0 HB2 SER A 31 0.086 8.045 4.061 1.00 10.00 H new ATOM 0 HB3 SER A 31 -0.400 9.723 3.924 1.00 10.00 H new ATOM 0 HG SER A 31 0.732 8.070 1.866 1.00 10.00 H new ATOM 456 N GLY A 32 2.271 8.324 6.051 1.00 10.00 N ATOM 457 CA GLY A 32 2.493 8.224 7.484 1.00 10.00 C ATOM 458 C GLY A 32 3.480 7.100 7.808 1.00 10.00 C ATOM 459 O GLY A 32 4.106 6.541 6.909 1.00 10.00 O ATOM 0 H GLY A 32 2.454 7.467 5.530 1.00 10.00 H new ATOM 0 HA2 GLY A 32 2.877 9.171 7.863 1.00 10.00 H new ATOM 0 HA3 GLY A 32 1.546 8.039 7.990 1.00 10.00 H new ATOM 463 N GLY A 33 3.587 6.803 9.095 1.00 10.00 N ATOM 464 CA GLY A 33 4.350 5.648 9.535 1.00 10.00 C ATOM 465 C GLY A 33 4.197 5.431 11.042 1.00 10.00 C ATOM 466 O GLY A 33 3.675 6.294 11.747 1.00 10.00 O ATOM 0 H GLY A 33 3.158 7.342 9.847 1.00 10.00 H new ATOM 0 HA2 GLY A 33 4.013 4.760 9.000 1.00 10.00 H new ATOM 0 HA3 GLY A 33 5.403 5.788 9.289 1.00 10.00 H new ATOM 470 N HIS A 34 4.661 4.275 11.492 1.00 10.00 N ATOM 471 CA HIS A 34 4.662 3.970 12.912 1.00 10.00 C ATOM 472 C HIS A 34 5.940 3.211 13.273 1.00 10.00 C ATOM 473 O HIS A 34 6.437 2.412 12.480 1.00 10.00 O ATOM 474 CB HIS A 34 3.392 3.215 13.308 1.00 10.00 C ATOM 475 CG HIS A 34 3.473 2.541 14.656 1.00 10.00 C ATOM 476 ND1 HIS A 34 3.499 3.247 15.847 1.00 10.00 N ATOM 477 CD2 HIS A 34 3.531 1.220 14.991 1.00 10.00 C ATOM 478 CE1 HIS A 34 3.572 2.379 16.846 1.00 10.00 C ATOM 479 NE2 HIS A 34 3.592 1.124 16.313 1.00 10.00 N ATOM 0 H HIS A 34 5.039 3.538 10.897 1.00 10.00 H new ATOM 0 HA HIS A 34 4.657 4.897 13.486 1.00 10.00 H new ATOM 0 HB2 HIS A 34 2.554 3.912 13.312 1.00 10.00 H new ATOM 0 HB3 HIS A 34 3.178 2.462 12.549 1.00 10.00 H new ATOM 0 HD2 HIS A 34 3.528 0.392 14.297 1.00 10.00 H new ATOM 0 HE1 HIS A 34 3.609 2.623 17.897 1.00 10.00 H new ATOM 0 HE2 HIS A 34 3.645 0.254 16.843 1.00 10.00 H new ATOM 487 N CYS A 35 6.436 3.486 14.470 1.00 10.00 N ATOM 488 CA CYS A 35 7.651 2.844 14.943 1.00 10.00 C ATOM 489 C CYS A 35 7.279 1.474 15.514 1.00 10.00 C ATOM 490 O CYS A 35 7.092 1.331 16.721 1.00 10.00 O ATOM 491 CB CYS A 35 8.386 3.710 15.969 1.00 10.00 C ATOM 492 SG CYS A 35 9.863 2.928 16.714 1.00 10.00 S ATOM 0 H CYS A 35 6.019 4.145 15.127 1.00 10.00 H new ATOM 0 HA CYS A 35 8.344 2.714 14.112 1.00 10.00 H new ATOM 0 HB2 CYS A 35 8.688 4.641 15.489 1.00 10.00 H new ATOM 0 HB3 CYS A 35 7.691 3.974 16.766 1.00 10.00 H new ATOM 497 N TYR A 36 7.185 0.502 14.619 1.00 10.00 N ATOM 498 CA TYR A 36 7.059 -0.885 15.032 1.00 10.00 C ATOM 499 C TYR A 36 8.400 -1.435 15.522 1.00 10.00 C ATOM 500 O TYR A 36 9.457 -0.994 15.074 1.00 10.00 O ATOM 501 CB TYR A 36 6.630 -1.660 13.784 1.00 10.00 C ATOM 502 CG TYR A 36 6.268 -3.122 14.053 1.00 10.00 C ATOM 503 CD1 TYR A 36 5.168 -3.429 14.829 1.00 10.00 C ATOM 504 CD2 TYR A 36 7.041 -4.133 13.520 1.00 10.00 C ATOM 505 CE1 TYR A 36 4.828 -4.805 15.082 1.00 10.00 C ATOM 506 CE2 TYR A 36 6.700 -5.509 13.773 1.00 10.00 C ATOM 507 CZ TYR A 36 5.610 -5.777 14.541 1.00 10.00 C ATOM 508 OH TYR A 36 5.289 -7.077 14.780 1.00 10.00 O ATOM 0 H TYR A 36 7.194 0.648 13.609 1.00 10.00 H new ATOM 0 HA TYR A 36 6.343 -0.978 15.849 1.00 10.00 H new ATOM 0 HB2 TYR A 36 5.771 -1.160 13.336 1.00 10.00 H new ATOM 0 HB3 TYR A 36 7.437 -1.625 13.052 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.563 -2.637 15.246 1.00 10.00 H new ATOM 0 HD2 TYR A 36 7.901 -3.892 12.913 1.00 10.00 H new ATOM 0 HE1 TYR A 36 3.971 -5.059 15.688 1.00 10.00 H new ATOM 0 HE2 TYR A 36 7.296 -6.310 13.362 1.00 10.00 H new ATOM 0 HH TYR A 36 5.934 -7.661 14.330 1.00 10.00 H new ATOM 518 N ALA A 37 8.313 -2.390 16.437 1.00 10.00 N ATOM 519 CA ALA A 37 9.457 -2.743 17.261 1.00 10.00 C ATOM 520 C ALA A 37 10.610 -3.191 16.360 1.00 10.00 C ATOM 521 O ALA A 37 11.776 -2.966 16.680 1.00 10.00 O ATOM 522 CB ALA A 37 9.049 -3.822 18.265 1.00 10.00 C ATOM 0 H ALA A 37 7.468 -2.930 16.626 1.00 10.00 H new ATOM 0 HA ALA A 37 9.800 -1.880 17.831 1.00 10.00 H new ATOM 0 HB1 ALA A 37 9.907 -4.087 18.883 1.00 10.00 H new ATOM 0 HB2 ALA A 37 8.247 -3.444 18.900 1.00 10.00 H new ATOM 0 HB3 ALA A 37 8.702 -4.705 17.729 1.00 10.00 H new ATOM 528 N MET A 38 10.244 -3.818 15.251 1.00 10.00 N ATOM 529 CA MET A 38 11.224 -4.476 14.405 1.00 10.00 C ATOM 530 C MET A 38 11.912 -3.472 13.479 1.00 10.00 C ATOM 531 O MET A 38 13.100 -3.604 13.187 1.00 10.00 O ATOM 532 CB MET A 38 10.533 -5.554 13.567 1.00 10.00 C ATOM 533 CG MET A 38 11.531 -6.624 13.120 1.00 10.00 C ATOM 534 SD MET A 38 10.663 -7.994 12.374 1.00 10.00 S ATOM 535 CE MET A 38 11.941 -9.239 12.432 1.00 10.00 C ATOM 0 H MET A 38 9.282 -3.884 14.919 1.00 10.00 H new ATOM 0 HA MET A 38 11.982 -4.930 15.044 1.00 10.00 H new ATOM 0 HB2 MET A 38 9.735 -6.016 14.148 1.00 10.00 H new ATOM 0 HB3 MET A 38 10.068 -5.098 12.693 1.00 10.00 H new ATOM 0 HG2 MET A 38 12.238 -6.199 12.407 1.00 10.00 H new ATOM 0 HG3 MET A 38 12.111 -6.972 13.975 1.00 10.00 H new ATOM 0 HE1 MET A 38 11.565 -10.167 12.002 1.00 10.00 H new ATOM 0 HE2 MET A 38 12.806 -8.899 11.862 1.00 10.00 H new ATOM 0 HE3 MET A 38 12.234 -9.412 13.468 1.00 10.00 H new ATOM 545 N SER A 39 11.137 -2.490 13.043 1.00 10.00 N ATOM 546 CA SER A 39 11.622 -1.532 12.064 1.00 10.00 C ATOM 547 C SER A 39 10.562 -0.457 11.814 1.00 10.00 C ATOM 548 O SER A 39 9.414 -0.603 12.232 1.00 10.00 O ATOM 549 CB SER A 39 11.994 -2.226 10.752 1.00 10.00 C ATOM 550 OG SER A 39 13.374 -2.580 10.709 1.00 10.00 O ATOM 0 H SER A 39 10.176 -2.337 13.350 1.00 10.00 H new ATOM 0 HA SER A 39 12.521 -1.061 12.462 1.00 10.00 H new ATOM 0 HB2 SER A 39 11.386 -3.122 10.631 1.00 10.00 H new ATOM 0 HB3 SER A 39 11.762 -1.568 9.915 1.00 10.00 H new ATOM 0 HG SER A 39 13.622 -3.032 11.542 1.00 10.00 H new ATOM 556 N CYS A 40 10.984 0.598 11.133 1.00 10.00 N ATOM 557 CA CYS A 40 10.077 1.682 10.794 1.00 10.00 C ATOM 558 C CYS A 40 9.037 1.148 9.807 1.00 10.00 C ATOM 559 O CYS A 40 9.345 0.919 8.638 1.00 10.00 O ATOM 560 CB CYS A 40 10.827 2.892 10.234 1.00 10.00 C ATOM 561 SG CYS A 40 9.755 4.217 9.567 1.00 10.00 S ATOM 0 H CYS A 40 11.942 0.726 10.807 1.00 10.00 H new ATOM 0 HA CYS A 40 9.574 2.034 11.695 1.00 10.00 H new ATOM 0 HB2 CYS A 40 11.452 3.312 11.023 1.00 10.00 H new ATOM 0 HB3 CYS A 40 11.497 2.553 9.443 1.00 10.00 H new ATOM 566 N TYR A 41 7.827 0.964 10.314 1.00 10.00 N ATOM 567 CA TYR A 41 6.716 0.558 9.471 1.00 10.00 C ATOM 568 C TYR A 41 6.034 1.773 8.839 1.00 10.00 C ATOM 569 O TYR A 41 5.179 2.403 9.460 1.00 10.00 O ATOM 570 CB TYR A 41 5.720 -0.147 10.394 1.00 10.00 C ATOM 571 CG TYR A 41 4.507 -0.733 9.670 1.00 10.00 C ATOM 572 CD1 TYR A 41 4.647 -1.866 8.893 1.00 10.00 C ATOM 573 CD2 TYR A 41 3.272 -0.130 9.793 1.00 10.00 C ATOM 574 CE1 TYR A 41 3.505 -2.417 8.212 1.00 10.00 C ATOM 575 CE2 TYR A 41 2.130 -0.681 9.111 1.00 10.00 C ATOM 576 CZ TYR A 41 2.302 -1.798 8.354 1.00 10.00 C ATOM 577 OH TYR A 41 1.224 -2.319 7.711 1.00 10.00 O ATOM 0 H TYR A 41 7.592 1.089 11.299 1.00 10.00 H new ATOM 0 HA TYR A 41 7.064 -0.085 8.663 1.00 10.00 H new ATOM 0 HB2 TYR A 41 6.236 -0.948 10.924 1.00 10.00 H new ATOM 0 HB3 TYR A 41 5.374 0.561 11.146 1.00 10.00 H new ATOM 0 HD1 TYR A 41 5.613 -2.339 8.796 1.00 10.00 H new ATOM 0 HD2 TYR A 41 3.162 0.756 10.401 1.00 10.00 H new ATOM 0 HE1 TYR A 41 3.601 -3.303 7.601 1.00 10.00 H new ATOM 0 HE2 TYR A 41 1.158 -0.218 9.199 1.00 10.00 H new ATOM 0 HH TYR A 41 0.433 -1.774 7.905 1.00 10.00 H new ATOM 587 N CYS A 42 6.439 2.067 7.612 1.00 10.00 N ATOM 588 CA CYS A 42 5.941 3.245 6.921 1.00 10.00 C ATOM 589 C CYS A 42 4.618 2.882 6.245 1.00 10.00 C ATOM 590 O CYS A 42 4.403 1.730 5.870 1.00 10.00 O ATOM 591 CB CYS A 42 6.963 3.788 5.920 1.00 10.00 C ATOM 592 SG CYS A 42 8.505 4.429 6.669 1.00 10.00 S ATOM 0 H CYS A 42 7.106 1.510 7.078 1.00 10.00 H new ATOM 0 HA CYS A 42 5.773 4.047 7.640 1.00 10.00 H new ATOM 0 HB2 CYS A 42 7.219 2.995 5.217 1.00 10.00 H new ATOM 0 HB3 CYS A 42 6.497 4.587 5.343 1.00 10.00 H new ATOM 597 N GLU A 43 3.764 3.886 6.111 1.00 10.00 N ATOM 598 CA GLU A 43 2.365 3.643 5.804 1.00 10.00 C ATOM 599 C GLU A 43 1.890 4.591 4.701 1.00 10.00 C ATOM 600 O GLU A 43 2.098 5.801 4.786 1.00 10.00 O ATOM 601 CB GLU A 43 1.497 3.780 7.057 1.00 10.00 C ATOM 602 CG GLU A 43 1.737 2.617 8.021 1.00 10.00 C ATOM 603 CD GLU A 43 0.915 2.786 9.300 1.00 10.00 C ATOM 604 OE1 GLU A 43 1.451 3.229 10.327 1.00 10.00 O ATOM 605 OE2 GLU A 43 -0.324 2.440 9.202 1.00 10.00 O ATOM 0 H GLU A 43 4.014 4.870 6.209 1.00 10.00 H new ATOM 0 HA GLU A 43 2.265 2.619 5.443 1.00 10.00 H new ATOM 0 HB2 GLU A 43 1.720 4.723 7.557 1.00 10.00 H new ATOM 0 HB3 GLU A 43 0.445 3.810 6.773 1.00 10.00 H new ATOM 0 HG2 GLU A 43 1.472 1.677 7.536 1.00 10.00 H new ATOM 0 HG3 GLU A 43 2.797 2.560 8.270 1.00 10.00 H new ATOM 613 N GLY A 44 1.262 4.007 3.692 1.00 10.00 N ATOM 614 CA GLY A 44 0.650 4.794 2.635 1.00 10.00 C ATOM 615 C GLY A 44 1.711 5.362 1.690 1.00 10.00 C ATOM 616 O GLY A 44 1.878 6.577 1.597 1.00 10.00 O ATOM 0 H GLY A 44 1.164 2.998 3.584 1.00 10.00 H new ATOM 0 HA2 GLY A 44 -0.048 4.174 2.073 1.00 10.00 H new ATOM 0 HA3 GLY A 44 0.073 5.609 3.071 1.00 10.00 H new ATOM 620 N LEU A 45 2.400 4.455 1.012 1.00 10.00 N ATOM 621 CA LEU A 45 3.413 4.851 0.049 1.00 10.00 C ATOM 622 C LEU A 45 2.799 4.869 -1.353 1.00 10.00 C ATOM 623 O LEU A 45 1.754 4.264 -1.584 1.00 10.00 O ATOM 624 CB LEU A 45 4.646 3.954 0.169 1.00 10.00 C ATOM 625 CG LEU A 45 5.448 4.085 1.465 1.00 10.00 C ATOM 626 CD1 LEU A 45 4.993 3.051 2.498 1.00 10.00 C ATOM 627 CD2 LEU A 45 6.951 3.999 1.192 1.00 10.00 C ATOM 0 H LEU A 45 2.276 3.447 1.111 1.00 10.00 H new ATOM 0 HA LEU A 45 3.762 5.862 0.257 1.00 10.00 H new ATOM 0 HB2 LEU A 45 4.327 2.917 0.066 1.00 10.00 H new ATOM 0 HB3 LEU A 45 5.310 4.169 -0.669 1.00 10.00 H new ATOM 0 HG LEU A 45 5.254 5.071 1.888 1.00 10.00 H new ATOM 0 HD11 LEU A 45 5.579 3.166 3.410 1.00 10.00 H new ATOM 0 HD12 LEU A 45 3.937 3.202 2.724 1.00 10.00 H new ATOM 0 HD13 LEU A 45 5.138 2.048 2.097 1.00 10.00 H new ATOM 0 HD21 LEU A 45 7.497 4.095 2.130 1.00 10.00 H new ATOM 0 HD22 LEU A 45 7.183 3.038 0.734 1.00 10.00 H new ATOM 0 HD23 LEU A 45 7.245 4.803 0.517 1.00 10.00 H new ATOM 639 N PRO A 46 3.494 5.588 -2.275 1.00 10.00 N ATOM 640 CA PRO A 46 3.321 5.346 -3.697 1.00 10.00 C ATOM 641 C PRO A 46 4.025 4.056 -4.123 1.00 10.00 C ATOM 642 O PRO A 46 4.990 3.633 -3.489 1.00 10.00 O ATOM 643 CB PRO A 46 3.885 6.583 -4.378 1.00 10.00 C ATOM 644 CG PRO A 46 4.770 7.261 -3.344 1.00 10.00 C ATOM 645 CD PRO A 46 4.458 6.647 -1.989 1.00 10.00 C ATOM 0 HA PRO A 46 2.278 5.196 -3.974 1.00 10.00 H new ATOM 0 HB2 PRO A 46 4.457 6.313 -5.266 1.00 10.00 H new ATOM 0 HB3 PRO A 46 3.085 7.248 -4.704 1.00 10.00 H new ATOM 0 HG2 PRO A 46 5.822 7.123 -3.593 1.00 10.00 H new ATOM 0 HG3 PRO A 46 4.585 8.335 -3.328 1.00 10.00 H new ATOM 0 HD2 PRO A 46 5.357 6.248 -1.519 1.00 10.00 H new ATOM 0 HD3 PRO A 46 4.042 7.387 -1.305 1.00 10.00 H new ATOM 653 N GLU A 47 3.513 3.466 -5.193 1.00 10.00 N ATOM 654 CA GLU A 47 3.823 2.081 -5.505 1.00 10.00 C ATOM 655 C GLU A 47 5.278 1.953 -5.963 1.00 10.00 C ATOM 656 O GLU A 47 5.843 0.861 -5.948 1.00 10.00 O ATOM 657 CB GLU A 47 2.865 1.529 -6.562 1.00 10.00 C ATOM 658 CG GLU A 47 3.192 2.093 -7.946 1.00 10.00 C ATOM 659 CD GLU A 47 2.098 1.738 -8.956 1.00 10.00 C ATOM 660 OE1 GLU A 47 2.271 0.805 -9.754 1.00 10.00 O ATOM 661 OE2 GLU A 47 1.038 2.469 -8.891 1.00 10.00 O ATOM 0 H GLU A 47 2.885 3.922 -5.855 1.00 10.00 H new ATOM 0 HA GLU A 47 3.694 1.487 -4.600 1.00 10.00 H new ATOM 0 HB2 GLU A 47 2.930 0.441 -6.584 1.00 10.00 H new ATOM 0 HB3 GLU A 47 1.839 1.782 -6.295 1.00 10.00 H new ATOM 0 HG2 GLU A 47 3.298 3.176 -7.885 1.00 10.00 H new ATOM 0 HG3 GLU A 47 4.149 1.698 -8.287 1.00 10.00 H new ATOM 669 N ASN A 48 5.842 3.085 -6.358 1.00 10.00 N ATOM 670 CA ASN A 48 7.199 3.103 -6.877 1.00 10.00 C ATOM 671 C ASN A 48 8.181 2.837 -5.734 1.00 10.00 C ATOM 672 O ASN A 48 9.277 2.327 -5.959 1.00 10.00 O ATOM 673 CB ASN A 48 7.538 4.466 -7.485 1.00 10.00 C ATOM 674 CG ASN A 48 7.514 5.563 -6.419 1.00 10.00 C ATOM 675 OD1 ASN A 48 6.736 5.534 -5.479 1.00 10.00 O ATOM 676 ND2 ASN A 48 8.406 6.529 -6.616 1.00 10.00 N ATOM 0 H ASN A 48 5.384 3.996 -6.329 1.00 10.00 H new ATOM 0 HA ASN A 48 7.276 2.336 -7.647 1.00 10.00 H new ATOM 0 HB2 ASN A 48 8.524 4.426 -7.949 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.824 4.704 -8.273 1.00 10.00 H new ATOM 0 HD21 ASN A 48 8.469 7.307 -5.959 1.00 10.00 H new ATOM 0 HD22 ASN A 48 9.028 6.492 -7.424 1.00 10.00 H new ATOM 683 N ALA A 49 7.752 3.195 -4.533 1.00 10.00 N ATOM 684 CA ALA A 49 8.582 3.007 -3.355 1.00 10.00 C ATOM 685 C ALA A 49 8.387 1.587 -2.821 1.00 10.00 C ATOM 686 O ALA A 49 7.435 1.320 -2.090 1.00 10.00 O ATOM 687 CB ALA A 49 8.240 4.075 -2.314 1.00 10.00 C ATOM 0 H ALA A 49 6.840 3.614 -4.350 1.00 10.00 H new ATOM 0 HA ALA A 49 9.637 3.123 -3.605 1.00 10.00 H new ATOM 0 HB1 ALA A 49 8.862 3.934 -1.430 1.00 10.00 H new ATOM 0 HB2 ALA A 49 8.424 5.064 -2.734 1.00 10.00 H new ATOM 0 HB3 ALA A 49 7.190 3.989 -2.036 1.00 10.00 H new ATOM 693 N LYS A 50 9.305 0.713 -3.207 1.00 10.00 N ATOM 694 CA LYS A 50 9.244 -0.674 -2.780 1.00 10.00 C ATOM 695 C LYS A 50 9.411 -0.744 -1.260 1.00 10.00 C ATOM 696 O LYS A 50 10.301 -0.106 -0.700 1.00 10.00 O ATOM 697 CB LYS A 50 10.262 -1.518 -3.550 1.00 10.00 C ATOM 698 CG LYS A 50 10.157 -2.994 -3.160 1.00 10.00 C ATOM 699 CD LYS A 50 11.206 -3.359 -2.108 1.00 10.00 C ATOM 700 CE LYS A 50 11.020 -4.799 -1.625 1.00 10.00 C ATOM 701 NZ LYS A 50 11.956 -5.100 -0.519 1.00 10.00 N ATOM 0 H LYS A 50 10.095 0.939 -3.811 1.00 10.00 H new ATOM 0 HA LYS A 50 8.269 -1.101 -3.014 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.094 -1.408 -4.621 1.00 10.00 H new ATOM 0 HB3 LYS A 50 11.269 -1.155 -3.346 1.00 10.00 H new ATOM 0 HG2 LYS A 50 9.160 -3.201 -2.772 1.00 10.00 H new ATOM 0 HG3 LYS A 50 10.291 -3.618 -4.044 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.205 -3.239 -2.528 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.131 -2.675 -1.262 1.00 10.00 H new ATOM 0 HE2 LYS A 50 9.993 -4.947 -1.291 1.00 10.00 H new ATOM 0 HE3 LYS A 50 11.189 -5.490 -2.451 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 11.816 -6.081 -0.203 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.935 -4.979 -0.850 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.776 -4.452 0.274 1.00 10.00 H new ATOM 714 N VAL A 51 8.541 -1.525 -0.636 1.00 10.00 N ATOM 715 CA VAL A 51 8.686 -1.826 0.778 1.00 10.00 C ATOM 716 C VAL A 51 8.580 -3.338 0.986 1.00 10.00 C ATOM 717 O VAL A 51 7.885 -4.024 0.238 1.00 10.00 O ATOM 718 CB VAL A 51 7.656 -1.037 1.589 1.00 10.00 C ATOM 719 CG1 VAL A 51 7.689 0.448 1.220 1.00 10.00 C ATOM 720 CG2 VAL A 51 6.252 -1.616 1.404 1.00 10.00 C ATOM 0 H VAL A 51 7.733 -1.958 -1.084 1.00 10.00 H new ATOM 0 HA VAL A 51 9.668 -1.517 1.136 1.00 10.00 H new ATOM 0 HB VAL A 51 7.919 -1.127 2.643 1.00 10.00 H new ATOM 0 HG11 VAL A 51 6.948 0.986 1.811 1.00 10.00 H new ATOM 0 HG12 VAL A 51 8.680 0.852 1.426 1.00 10.00 H new ATOM 0 HG13 VAL A 51 7.463 0.565 0.160 1.00 10.00 H new ATOM 0 HG21 VAL A 51 5.539 -1.037 1.991 1.00 10.00 H new ATOM 0 HG22 VAL A 51 5.976 -1.571 0.351 1.00 10.00 H new ATOM 0 HG23 VAL A 51 6.239 -2.653 1.738 1.00 10.00 H new ATOM 730 N SER A 52 9.279 -3.812 2.007 1.00 10.00 N ATOM 731 CA SER A 52 9.128 -5.191 2.440 1.00 10.00 C ATOM 732 C SER A 52 7.890 -5.328 3.329 1.00 10.00 C ATOM 733 O SER A 52 7.614 -4.458 4.153 1.00 10.00 O ATOM 734 CB SER A 52 10.374 -5.673 3.187 1.00 10.00 C ATOM 735 OG SER A 52 10.228 -7.008 3.663 1.00 10.00 O ATOM 0 H SER A 52 9.951 -3.266 2.547 1.00 10.00 H new ATOM 0 HA SER A 52 9.003 -5.816 1.556 1.00 10.00 H new ATOM 0 HB2 SER A 52 11.238 -5.617 2.525 1.00 10.00 H new ATOM 0 HB3 SER A 52 10.573 -5.008 4.028 1.00 10.00 H new ATOM 0 HG SER A 52 11.107 -7.440 3.700 1.00 10.00 H new ATOM 741 N ASP A 53 7.178 -6.427 3.131 1.00 10.00 N ATOM 742 CA ASP A 53 6.083 -6.780 4.019 1.00 10.00 C ATOM 743 C ASP A 53 6.353 -8.154 4.635 1.00 10.00 C ATOM 744 O ASP A 53 5.426 -8.926 4.871 1.00 10.00 O ATOM 745 CB ASP A 53 4.758 -6.856 3.257 1.00 10.00 C ATOM 746 CG ASP A 53 4.723 -7.882 2.122 1.00 10.00 C ATOM 747 OD1 ASP A 53 3.664 -8.438 1.796 1.00 10.00 O ATOM 748 OD2 ASP A 53 5.860 -8.107 1.555 1.00 10.00 O ATOM 0 H ASP A 53 7.338 -7.085 2.368 1.00 10.00 H new ATOM 0 HA ASP A 53 6.013 -6.012 4.789 1.00 10.00 H new ATOM 0 HB2 ASP A 53 3.962 -7.091 3.964 1.00 10.00 H new ATOM 0 HB3 ASP A 53 4.537 -5.872 2.844 1.00 10.00 H new ATOM 754 N SER A 54 7.629 -8.417 4.878 1.00 10.00 N ATOM 755 CA SER A 54 8.060 -9.754 5.250 1.00 10.00 C ATOM 756 C SER A 54 8.854 -9.703 6.556 1.00 10.00 C ATOM 757 O SER A 54 9.853 -10.404 6.707 1.00 10.00 O ATOM 758 CB SER A 54 8.901 -10.390 4.142 1.00 10.00 C ATOM 759 OG SER A 54 9.980 -9.550 3.741 1.00 10.00 O ATOM 0 H SER A 54 8.378 -7.727 4.824 1.00 10.00 H new ATOM 0 HA SER A 54 7.173 -10.371 5.395 1.00 10.00 H new ATOM 0 HB2 SER A 54 9.295 -11.345 4.489 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.267 -10.601 3.281 1.00 10.00 H new ATOM 0 HG SER A 54 9.820 -8.637 4.061 1.00 10.00 H new ATOM 765 N ALA A 55 8.380 -8.867 7.468 1.00 10.00 N ATOM 766 CA ALA A 55 8.930 -8.835 8.813 1.00 10.00 C ATOM 767 C ALA A 55 10.439 -8.597 8.737 1.00 10.00 C ATOM 768 O ALA A 55 11.220 -9.339 9.330 1.00 10.00 O ATOM 769 CB ALA A 55 8.581 -10.137 9.537 1.00 10.00 C ATOM 0 H ALA A 55 7.621 -8.206 7.302 1.00 10.00 H new ATOM 0 HA ALA A 55 8.496 -8.016 9.386 1.00 10.00 H new ATOM 0 HB1 ALA A 55 8.993 -10.114 10.546 1.00 10.00 H new ATOM 0 HB2 ALA A 55 7.498 -10.245 9.590 1.00 10.00 H new ATOM 0 HB3 ALA A 55 9.003 -10.981 8.992 1.00 10.00 H new ATOM 775 N THR A 56 10.806 -7.557 8.001 1.00 10.00 N ATOM 776 CA THR A 56 12.196 -7.143 7.931 1.00 10.00 C ATOM 777 C THR A 56 13.083 -8.319 7.515 1.00 10.00 C ATOM 778 O THR A 56 13.902 -8.792 8.301 1.00 10.00 O ATOM 779 CB THR A 56 12.580 -6.542 9.285 1.00 10.00 C ATOM 780 OG1 THR A 56 11.642 -5.486 9.474 1.00 10.00 O ATOM 781 CG2 THR A 56 13.936 -5.835 9.249 1.00 10.00 C ATOM 0 H THR A 56 10.164 -6.989 7.448 1.00 10.00 H new ATOM 0 HA THR A 56 12.343 -6.380 7.167 1.00 10.00 H new ATOM 0 HB THR A 56 12.602 -7.329 10.038 1.00 10.00 H new ATOM 0 HG1 THR A 56 11.477 -5.363 10.432 1.00 10.00 H new ATOM 0 HG21 THR A 56 14.160 -5.427 10.235 1.00 10.00 H new ATOM 0 HG22 THR A 56 14.711 -6.548 8.967 1.00 10.00 H new ATOM 0 HG23 THR A 56 13.905 -5.026 8.520 1.00 10.00 H new ATOM 789 N ASN A 57 12.889 -8.756 6.279 1.00 10.00 N ATOM 790 CA ASN A 57 13.733 -9.794 5.712 1.00 10.00 C ATOM 791 C ASN A 57 15.144 -9.241 5.503 1.00 10.00 C ATOM 792 O ASN A 57 16.127 -9.967 5.644 1.00 10.00 O ATOM 793 CB ASN A 57 13.201 -10.256 4.354 1.00 10.00 C ATOM 794 CG ASN A 57 13.126 -9.088 3.369 1.00 10.00 C ATOM 795 OD1 ASN A 57 12.809 -7.964 3.721 1.00 10.00 O ATOM 796 ND2 ASN A 57 13.434 -9.416 2.117 1.00 10.00 N ATOM 0 H ASN A 57 12.160 -8.410 5.655 1.00 10.00 H new ATOM 0 HA ASN A 57 13.740 -10.637 6.403 1.00 10.00 H new ATOM 0 HB2 ASN A 57 13.849 -11.035 3.951 1.00 10.00 H new ATOM 0 HB3 ASN A 57 12.212 -10.696 4.478 1.00 10.00 H new ATOM 0 HD21 ASN A 57 13.413 -8.707 1.384 1.00 10.00 H new ATOM 0 HD22 ASN A 57 13.691 -10.377 1.890 1.00 10.00 H new ATOM 803 N ILE A 58 15.200 -7.959 5.171 1.00 10.00 N ATOM 804 CA ILE A 58 16.475 -7.287 4.992 1.00 10.00 C ATOM 805 C ILE A 58 17.026 -6.876 6.359 1.00 10.00 C ATOM 806 O ILE A 58 16.321 -6.260 7.157 1.00 10.00 O ATOM 807 CB ILE A 58 16.334 -6.122 4.011 1.00 10.00 C ATOM 808 CG1 ILE A 58 15.994 -6.625 2.607 1.00 10.00 C ATOM 809 CG2 ILE A 58 17.588 -5.245 4.017 1.00 10.00 C ATOM 810 CD1 ILE A 58 15.090 -5.633 1.873 1.00 10.00 C ATOM 0 H ILE A 58 14.382 -7.368 5.021 1.00 10.00 H new ATOM 0 HA ILE A 58 17.203 -7.964 4.544 1.00 10.00 H new ATOM 0 HB ILE A 58 15.503 -5.498 4.340 1.00 10.00 H new ATOM 0 HG12 ILE A 58 16.912 -6.775 2.039 1.00 10.00 H new ATOM 0 HG13 ILE A 58 15.498 -7.593 2.674 1.00 10.00 H new ATOM 0 HG21 ILE A 58 17.461 -4.424 3.311 1.00 10.00 H new ATOM 0 HG22 ILE A 58 17.745 -4.842 5.017 1.00 10.00 H new ATOM 0 HG23 ILE A 58 18.452 -5.843 3.727 1.00 10.00 H new ATOM 0 HD11 ILE A 58 14.864 -6.015 0.878 1.00 10.00 H new ATOM 0 HD12 ILE A 58 14.163 -5.503 2.432 1.00 10.00 H new ATOM 0 HD13 ILE A 58 15.598 -4.673 1.786 1.00 10.00 H new ATOM 822 N CYS A 59 18.281 -7.235 6.588 1.00 10.00 N ATOM 823 CA CYS A 59 18.806 -7.300 7.941 1.00 10.00 C ATOM 824 C CYS A 59 17.769 -7.996 8.826 1.00 10.00 C ATOM 825 O CYS A 59 17.323 -7.434 9.825 1.00 10.00 O ATOM 826 CB CYS A 59 19.171 -5.913 8.474 1.00 10.00 C ATOM 827 SG CYS A 59 20.691 -5.190 7.755 1.00 10.00 S ATOM 0 H CYS A 59 18.949 -7.484 5.859 1.00 10.00 H new ATOM 0 HA CYS A 59 19.732 -7.875 7.947 1.00 10.00 H new ATOM 0 HB2 CYS A 59 18.338 -5.236 8.284 1.00 10.00 H new ATOM 0 HB3 CYS A 59 19.291 -5.975 9.556 1.00 10.00 H new ATOM 832 N GLY A 60 17.417 -9.209 8.426 1.00 10.00 N ATOM 833 CA GLY A 60 16.577 -10.056 9.256 1.00 10.00 C ATOM 834 C GLY A 60 15.836 -11.092 8.409 1.00 10.00 C ATOM 835 O GLY A 60 16.178 -12.274 8.428 1.00 10.00 O ATOM 0 H GLY A 60 17.698 -9.626 7.538 1.00 10.00 H new ATOM 0 HA2 GLY A 60 17.189 -10.562 10.002 1.00 10.00 H new ATOM 0 HA3 GLY A 60 15.857 -9.442 9.797 1.00 10.00 H new TER 839 GLY A 60