USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 718 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 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 SER OG : rot -76:sc= 0.654 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.136 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 29 SER OG : rot 47:sc= 0.455 USER MOD Single : A 33 THR OG1 : rot -113:sc= 0.00832 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.241 K(o=-0.24,f=-3.2!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 102 ASN :FLIP amide:sc= 0.0159 F(o=-0.8,f=0.016) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.013 K(o=0.013,f=-1.1) USER MOD Single : A 112 SER OG : rot 28:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.986 9.266 4.895 1.00 0.00 N ATOM 2 CA ALA A 1 -17.476 9.181 3.501 1.00 0.00 C ATOM 3 C ALA A 1 -18.240 10.149 2.602 1.00 0.00 C ATOM 4 O ALA A 1 -19.265 10.672 3.010 1.00 0.00 O ATOM 5 CB ALA A 1 -17.672 7.758 2.961 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.237 9.633 5.517 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.806 9.905 4.926 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.272 8.320 5.218 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.417 9.438 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.297 7.702 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.126 7.053 3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.733 7.508 2.972 1.00 0.00 H new ATOM 13 N SER A 2 -17.689 10.365 1.409 1.00 0.00 N ATOM 14 CA SER A 2 -18.294 11.292 0.377 1.00 0.00 C ATOM 15 C SER A 2 -17.605 11.080 -0.966 1.00 0.00 C ATOM 16 O SER A 2 -18.261 11.053 -2.000 1.00 0.00 O ATOM 17 CB SER A 2 -18.076 12.766 0.805 1.00 0.00 C ATOM 18 OG SER A 2 -18.084 13.497 -0.412 1.00 0.00 O ATOM 0 H SER A 2 -16.822 9.922 1.105 1.00 0.00 H new ATOM 0 HA SER A 2 -19.360 11.078 0.294 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.865 13.105 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.132 12.889 1.335 1.00 0.00 H new ATOM 0 HG SER A 2 -17.952 14.449 -0.222 1.00 0.00 H new ATOM 24 N ALA A 3 -16.302 10.906 -0.874 1.00 0.00 N ATOM 25 CA ALA A 3 -15.415 10.681 -2.074 1.00 0.00 C ATOM 26 C ALA A 3 -15.681 9.317 -2.756 1.00 0.00 C ATOM 27 O ALA A 3 -15.458 8.277 -2.148 1.00 0.00 O ATOM 28 CB ALA A 3 -13.959 10.709 -1.570 1.00 0.00 C ATOM 0 H ALA A 3 -15.799 10.911 0.013 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.616 11.456 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.281 10.550 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.751 11.677 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.814 9.921 -0.831 1.00 0.00 H new ATOM 34 N ALA A 4 -16.138 9.382 -4.012 1.00 0.00 N ATOM 35 CA ALA A 4 -16.454 8.151 -4.826 1.00 0.00 C ATOM 36 C ALA A 4 -15.180 7.536 -5.417 1.00 0.00 C ATOM 37 O ALA A 4 -14.390 8.265 -5.997 1.00 0.00 O ATOM 38 CB ALA A 4 -17.340 8.582 -6.003 1.00 0.00 C ATOM 0 H ALA A 4 -16.304 10.259 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.941 7.420 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.586 7.712 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -18.258 9.030 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.806 9.311 -6.612 1.00 0.00 H new ATOM 44 N VAL A 5 -15.021 6.214 -5.201 1.00 0.00 N ATOM 45 CA VAL A 5 -13.844 5.380 -5.690 1.00 0.00 C ATOM 46 C VAL A 5 -14.534 4.167 -6.341 1.00 0.00 C ATOM 47 O VAL A 5 -15.561 3.722 -5.847 1.00 0.00 O ATOM 48 CB VAL A 5 -12.882 4.872 -4.479 1.00 0.00 C ATOM 49 CG1 VAL A 5 -11.441 4.375 -5.000 1.00 0.00 C ATOM 50 CG2 VAL A 5 -12.711 5.987 -3.360 1.00 0.00 C ATOM 0 H VAL A 5 -15.702 5.665 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.194 5.950 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.384 4.012 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.840 4.047 -4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.572 3.545 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.935 5.196 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.063 5.612 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.267 6.879 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.687 6.236 -2.942 1.00 0.00 H new ATOM 60 N SER A 6 -13.996 3.743 -7.481 1.00 0.00 N ATOM 61 CA SER A 6 -14.541 2.568 -8.256 1.00 0.00 C ATOM 62 C SER A 6 -13.489 2.037 -9.241 1.00 0.00 C ATOM 63 O SER A 6 -12.684 2.813 -9.729 1.00 0.00 O ATOM 64 CB SER A 6 -15.760 3.044 -9.076 1.00 0.00 C ATOM 65 OG SER A 6 -15.438 4.376 -9.455 1.00 0.00 O ATOM 0 H SER A 6 -13.181 4.179 -7.912 1.00 0.00 H new ATOM 0 HA SER A 6 -14.814 1.779 -7.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.922 2.412 -9.949 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.674 3.010 -8.483 1.00 0.00 H new ATOM 0 HG SER A 6 -16.171 4.751 -9.986 1.00 0.00 H new ATOM 71 N VAL A 7 -13.533 0.708 -9.445 1.00 0.00 N ATOM 72 CA VAL A 7 -12.611 -0.073 -10.372 1.00 0.00 C ATOM 73 C VAL A 7 -13.615 -0.821 -11.273 1.00 0.00 C ATOM 74 O VAL A 7 -14.710 -1.101 -10.806 1.00 0.00 O ATOM 75 CB VAL A 7 -11.708 -1.143 -9.551 1.00 0.00 C ATOM 76 CG1 VAL A 7 -10.425 -1.638 -10.383 1.00 0.00 C ATOM 77 CG2 VAL A 7 -11.275 -0.592 -8.112 1.00 0.00 C ATOM 0 H VAL A 7 -14.213 0.111 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.906 0.563 -10.907 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.348 -2.012 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.858 -2.352 -9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.752 -2.116 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.794 -0.782 -10.622 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.673 -1.343 -7.601 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.691 0.321 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.166 -0.378 -7.521 1.00 0.00 H new ATOM 87 N SER A 8 -13.245 -1.043 -12.542 1.00 0.00 N ATOM 88 CA SER A 8 -14.139 -1.769 -13.543 1.00 0.00 C ATOM 89 C SER A 8 -13.257 -2.373 -14.734 1.00 0.00 C ATOM 90 O SER A 8 -12.704 -1.544 -15.451 1.00 0.00 O ATOM 91 CB SER A 8 -15.103 -0.694 -14.131 1.00 0.00 C ATOM 92 OG SER A 8 -15.552 -1.233 -15.369 1.00 0.00 O ATOM 0 H SER A 8 -12.348 -0.746 -12.927 1.00 0.00 H new ATOM 0 HA SER A 8 -14.677 -2.585 -13.061 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.939 -0.504 -13.458 1.00 0.00 H new ATOM 0 HB3 SER A 8 -14.590 0.257 -14.278 1.00 0.00 H new ATOM 0 HG SER A 8 -16.169 -0.603 -15.796 1.00 0.00 H new ATOM 98 N PRO A 9 -13.005 -3.762 -14.940 1.00 0.00 N ATOM 99 CA PRO A 9 -13.408 -4.980 -14.089 1.00 0.00 C ATOM 100 C PRO A 9 -12.774 -4.960 -12.678 1.00 0.00 C ATOM 101 O PRO A 9 -11.848 -4.211 -12.472 1.00 0.00 O ATOM 102 CB PRO A 9 -12.859 -6.199 -14.854 1.00 0.00 C ATOM 103 CG PRO A 9 -12.285 -5.720 -16.192 1.00 0.00 C ATOM 104 CD PRO A 9 -12.271 -4.193 -16.186 1.00 0.00 C ATOM 0 HA PRO A 9 -14.488 -4.993 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.087 -6.697 -14.268 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.651 -6.928 -15.022 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.277 -6.109 -16.334 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.889 -6.091 -17.020 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.249 -3.815 -16.184 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.756 -3.797 -17.078 1.00 0.00 H new ATOM 112 N ALA A 10 -13.335 -5.766 -11.745 1.00 0.00 N ATOM 113 CA ALA A 10 -12.825 -5.856 -10.298 1.00 0.00 C ATOM 114 C ALA A 10 -12.855 -7.281 -9.732 1.00 0.00 C ATOM 115 O ALA A 10 -12.388 -7.467 -8.617 1.00 0.00 O ATOM 116 CB ALA A 10 -13.762 -5.009 -9.396 1.00 0.00 C ATOM 0 H ALA A 10 -14.135 -6.370 -11.936 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.793 -5.505 -10.307 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.417 -5.060 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.751 -3.972 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.778 -5.399 -9.458 1.00 0.00 H new ATOM 122 N THR A 11 -13.410 -8.234 -10.500 1.00 0.00 N ATOM 123 CA THR A 11 -13.516 -9.698 -10.072 1.00 0.00 C ATOM 124 C THR A 11 -13.203 -10.609 -11.266 1.00 0.00 C ATOM 125 O THR A 11 -13.406 -10.218 -12.406 1.00 0.00 O ATOM 126 CB THR A 11 -14.982 -10.048 -9.616 1.00 0.00 C ATOM 127 OG1 THR A 11 -15.790 -9.801 -10.751 1.00 0.00 O ATOM 128 CG2 THR A 11 -15.607 -9.118 -8.534 1.00 0.00 C ATOM 0 H THR A 11 -13.800 -8.048 -11.424 1.00 0.00 H new ATOM 0 HA THR A 11 -12.814 -9.849 -9.252 1.00 0.00 H new ATOM 0 HB THR A 11 -14.940 -11.059 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.725 -10.002 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.616 -9.458 -8.301 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.997 -9.149 -7.631 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.646 -8.096 -8.911 1.00 0.00 H new ATOM 136 N GLY A 12 -12.682 -11.796 -10.945 1.00 0.00 N ATOM 137 CA GLY A 12 -12.311 -12.833 -11.980 1.00 0.00 C ATOM 138 C GLY A 12 -11.096 -12.430 -12.822 1.00 0.00 C ATOM 139 O GLY A 12 -11.029 -12.798 -13.986 1.00 0.00 O ATOM 0 H GLY A 12 -12.498 -12.087 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.102 -13.779 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.163 -13.002 -12.639 1.00 0.00 H new ATOM 143 N LEU A 13 -10.183 -11.705 -12.186 1.00 0.00 N ATOM 144 CA LEU A 13 -8.916 -11.218 -12.855 1.00 0.00 C ATOM 145 C LEU A 13 -7.954 -12.406 -13.094 1.00 0.00 C ATOM 146 O LEU A 13 -7.994 -13.374 -12.345 1.00 0.00 O ATOM 147 CB LEU A 13 -8.182 -10.188 -11.903 1.00 0.00 C ATOM 148 CG LEU A 13 -9.051 -8.929 -11.306 1.00 0.00 C ATOM 149 CD1 LEU A 13 -8.095 -7.929 -10.492 1.00 0.00 C ATOM 150 CD2 LEU A 13 -9.891 -8.134 -12.403 1.00 0.00 C ATOM 0 H LEU A 13 -10.268 -11.426 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.181 -10.750 -13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.779 -10.745 -11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.332 -9.777 -12.449 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.789 -9.367 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.684 -7.099 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.629 -8.464 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.321 -7.544 -11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.435 -7.319 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.215 -7.727 -13.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.599 -8.812 -12.881 1.00 0.00 H new ATOM 162 N ALA A 14 -7.145 -12.262 -14.160 1.00 0.00 N ATOM 163 CA ALA A 14 -6.113 -13.282 -14.610 1.00 0.00 C ATOM 164 C ALA A 14 -4.700 -12.727 -14.393 1.00 0.00 C ATOM 165 O ALA A 14 -4.566 -11.608 -13.927 1.00 0.00 O ATOM 166 CB ALA A 14 -6.333 -13.486 -16.121 1.00 0.00 C ATOM 0 H ALA A 14 -7.170 -11.434 -14.756 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.215 -14.211 -14.050 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.614 -14.213 -16.498 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.345 -13.852 -16.295 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.196 -12.537 -16.640 1.00 0.00 H new ATOM 172 N ASP A 15 -3.697 -13.542 -14.725 1.00 0.00 N ATOM 173 CA ASP A 15 -2.248 -13.148 -14.577 1.00 0.00 C ATOM 174 C ASP A 15 -1.855 -12.063 -15.598 1.00 0.00 C ATOM 175 O ASP A 15 -2.112 -12.226 -16.783 1.00 0.00 O ATOM 176 CB ASP A 15 -1.403 -14.410 -14.855 1.00 0.00 C ATOM 177 CG ASP A 15 0.059 -14.035 -15.142 1.00 0.00 C ATOM 178 OD1 ASP A 15 0.695 -13.565 -14.211 1.00 0.00 O ATOM 179 OD2 ASP A 15 0.463 -14.256 -16.273 1.00 0.00 O ATOM 0 H ASP A 15 -3.835 -14.481 -15.099 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.080 -12.750 -13.576 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.449 -15.081 -13.997 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.818 -14.951 -15.705 1.00 0.00 H new ATOM 184 N GLY A 16 -1.275 -10.972 -15.092 1.00 0.00 N ATOM 185 CA GLY A 16 -0.825 -9.812 -15.954 1.00 0.00 C ATOM 186 C GLY A 16 -1.997 -8.999 -16.543 1.00 0.00 C ATOM 187 O GLY A 16 -1.819 -8.364 -17.571 1.00 0.00 O ATOM 0 H GLY A 16 -1.095 -10.842 -14.097 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.195 -9.150 -15.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.209 -10.192 -16.769 1.00 0.00 H new ATOM 191 N ALA A 17 -3.140 -9.030 -15.857 1.00 0.00 N ATOM 192 CA ALA A 17 -4.375 -8.285 -16.307 1.00 0.00 C ATOM 193 C ALA A 17 -4.231 -6.771 -16.107 1.00 0.00 C ATOM 194 O ALA A 17 -3.704 -6.362 -15.089 1.00 0.00 O ATOM 195 CB ALA A 17 -5.544 -8.742 -15.423 1.00 0.00 C ATOM 0 H ALA A 17 -3.263 -9.552 -14.989 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.533 -8.492 -17.365 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.453 -8.221 -15.724 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.687 -9.817 -15.536 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.323 -8.514 -14.380 1.00 0.00 H new ATOM 201 N THR A 18 -4.746 -6.012 -17.083 1.00 0.00 N ATOM 202 CA THR A 18 -4.718 -4.501 -17.091 1.00 0.00 C ATOM 203 C THR A 18 -6.100 -4.055 -16.601 1.00 0.00 C ATOM 204 O THR A 18 -7.090 -4.646 -17.020 1.00 0.00 O ATOM 205 CB THR A 18 -4.468 -4.068 -18.581 1.00 0.00 C ATOM 206 OG1 THR A 18 -3.405 -4.901 -19.002 1.00 0.00 O ATOM 207 CG2 THR A 18 -3.878 -2.633 -18.786 1.00 0.00 C ATOM 0 H THR A 18 -5.202 -6.409 -17.905 1.00 0.00 H new ATOM 0 HA THR A 18 -3.946 -4.062 -16.459 1.00 0.00 H new ATOM 0 HB THR A 18 -5.428 -4.120 -19.095 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.180 -4.699 -19.934 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.747 -2.442 -19.851 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.562 -1.895 -18.366 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.913 -2.561 -18.283 1.00 0.00 H new ATOM 215 N VAL A 19 -6.106 -3.097 -15.657 1.00 0.00 N ATOM 216 CA VAL A 19 -7.382 -2.531 -15.051 1.00 0.00 C ATOM 217 C VAL A 19 -7.310 -0.990 -15.041 1.00 0.00 C ATOM 218 O VAL A 19 -6.230 -0.439 -14.890 1.00 0.00 O ATOM 219 CB VAL A 19 -7.627 -3.116 -13.568 1.00 0.00 C ATOM 220 CG1 VAL A 19 -8.384 -4.523 -13.617 1.00 0.00 C ATOM 221 CG2 VAL A 19 -6.293 -3.213 -12.683 1.00 0.00 C ATOM 0 H VAL A 19 -5.254 -2.681 -15.280 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.231 -2.837 -15.662 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.268 -2.390 -13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.534 -4.891 -12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.351 -4.399 -14.105 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.784 -5.240 -14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.537 -3.615 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.576 -3.870 -13.176 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.857 -2.220 -12.571 1.00 0.00 H new ATOM 231 N THR A 20 -8.489 -0.380 -15.206 1.00 0.00 N ATOM 232 CA THR A 20 -8.683 1.115 -15.237 1.00 0.00 C ATOM 233 C THR A 20 -9.221 1.618 -13.872 1.00 0.00 C ATOM 234 O THR A 20 -10.420 1.569 -13.631 1.00 0.00 O ATOM 235 CB THR A 20 -9.732 1.327 -16.396 1.00 0.00 C ATOM 236 OG1 THR A 20 -8.992 1.046 -17.568 1.00 0.00 O ATOM 237 CG2 THR A 20 -10.242 2.783 -16.662 1.00 0.00 C ATOM 0 H THR A 20 -9.360 -0.897 -15.325 1.00 0.00 H new ATOM 0 HA THR A 20 -7.762 1.671 -15.410 1.00 0.00 H new ATOM 0 HB THR A 20 -10.601 0.725 -16.130 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.570 1.151 -18.353 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.956 2.774 -17.485 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.727 3.168 -15.765 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.398 3.422 -16.921 1.00 0.00 H new ATOM 245 N VAL A 21 -8.296 2.092 -13.028 1.00 0.00 N ATOM 246 CA VAL A 21 -8.641 2.630 -11.645 1.00 0.00 C ATOM 247 C VAL A 21 -9.151 4.058 -11.920 1.00 0.00 C ATOM 248 O VAL A 21 -8.685 4.674 -12.868 1.00 0.00 O ATOM 249 CB VAL A 21 -7.286 2.610 -10.742 1.00 0.00 C ATOM 250 CG1 VAL A 21 -7.329 3.582 -9.454 1.00 0.00 C ATOM 251 CG2 VAL A 21 -6.934 1.114 -10.296 1.00 0.00 C ATOM 0 H VAL A 21 -7.301 2.127 -13.248 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.388 2.054 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.499 3.005 -11.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.388 3.507 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.478 4.611 -9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.150 3.285 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.026 1.118 -9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.757 0.706 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.779 0.497 -11.181 1.00 0.00 H new ATOM 261 N SER A 22 -10.103 4.506 -11.084 1.00 0.00 N ATOM 262 CA SER A 22 -10.733 5.885 -11.189 1.00 0.00 C ATOM 263 C SER A 22 -10.904 6.502 -9.804 1.00 0.00 C ATOM 264 O SER A 22 -10.745 5.823 -8.801 1.00 0.00 O ATOM 265 CB SER A 22 -12.140 5.754 -11.809 1.00 0.00 C ATOM 266 OG SER A 22 -13.000 5.566 -10.695 1.00 0.00 O ATOM 0 H SER A 22 -10.473 3.948 -10.314 1.00 0.00 H new ATOM 0 HA SER A 22 -10.084 6.511 -11.801 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.410 6.646 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.193 4.912 -12.499 1.00 0.00 H new ATOM 0 HG SER A 22 -12.907 4.649 -10.361 1.00 0.00 H new ATOM 272 N ALA A 23 -11.165 7.803 -9.825 1.00 0.00 N ATOM 273 CA ALA A 23 -11.376 8.631 -8.585 1.00 0.00 C ATOM 274 C ALA A 23 -12.121 9.905 -8.985 1.00 0.00 C ATOM 275 O ALA A 23 -11.949 10.362 -10.103 1.00 0.00 O ATOM 276 CB ALA A 23 -10.004 9.001 -7.986 1.00 0.00 C ATOM 0 H ALA A 23 -11.242 8.339 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.952 8.075 -7.845 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.149 9.601 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.461 8.091 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.431 9.573 -8.716 1.00 0.00 H new ATOM 282 N SER A 24 -12.971 10.402 -8.076 1.00 0.00 N ATOM 283 CA SER A 24 -13.780 11.658 -8.324 1.00 0.00 C ATOM 284 C SER A 24 -14.243 12.239 -6.986 1.00 0.00 C ATOM 285 O SER A 24 -14.454 11.488 -6.046 1.00 0.00 O ATOM 286 CB SER A 24 -15.018 11.295 -9.176 1.00 0.00 C ATOM 287 OG SER A 24 -15.364 9.980 -8.764 1.00 0.00 O ATOM 0 H SER A 24 -13.133 9.976 -7.163 1.00 0.00 H new ATOM 0 HA SER A 24 -13.169 12.393 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.837 11.993 -9.003 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.790 11.329 -10.241 1.00 0.00 H new ATOM 0 HG SER A 24 -16.150 9.677 -9.264 1.00 0.00 H new ATOM 293 N GLY A 25 -14.363 13.568 -6.951 1.00 0.00 N ATOM 294 CA GLY A 25 -14.805 14.312 -5.716 1.00 0.00 C ATOM 295 C GLY A 25 -13.688 14.318 -4.666 1.00 0.00 C ATOM 296 O GLY A 25 -13.643 13.433 -3.832 1.00 0.00 O ATOM 0 H GLY A 25 -14.166 14.171 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.073 15.336 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.699 13.844 -5.303 1.00 0.00 H new ATOM 300 N PHE A 26 -12.823 15.324 -4.778 1.00 0.00 N ATOM 301 CA PHE A 26 -11.645 15.527 -3.853 1.00 0.00 C ATOM 302 C PHE A 26 -11.278 17.021 -3.890 1.00 0.00 C ATOM 303 O PHE A 26 -11.649 17.700 -4.833 1.00 0.00 O ATOM 304 CB PHE A 26 -10.441 14.677 -4.400 1.00 0.00 C ATOM 305 CG PHE A 26 -10.391 13.193 -3.798 1.00 0.00 C ATOM 306 CD1 PHE A 26 -9.866 12.943 -2.503 1.00 0.00 C ATOM 307 CD2 PHE A 26 -10.777 12.052 -4.557 1.00 0.00 C ATOM 308 CE1 PHE A 26 -9.727 11.656 -2.028 1.00 0.00 C ATOM 309 CE2 PHE A 26 -10.623 10.779 -4.043 1.00 0.00 C ATOM 310 CZ PHE A 26 -10.103 10.585 -2.791 1.00 0.00 C ATOM 0 H PHE A 26 -12.895 16.037 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.878 15.220 -2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.509 14.619 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.507 15.189 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.571 13.774 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.194 12.183 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.317 11.492 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.917 9.926 -4.636 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.989 9.583 -2.405 1.00 0.00 H new ATOM 320 N ALA A 27 -10.618 17.493 -2.827 1.00 0.00 N ATOM 321 CA ALA A 27 -10.182 18.944 -2.707 1.00 0.00 C ATOM 322 C ALA A 27 -9.072 19.108 -1.653 1.00 0.00 C ATOM 323 O ALA A 27 -8.273 20.032 -1.766 1.00 0.00 O ATOM 324 CB ALA A 27 -11.407 19.790 -2.277 1.00 0.00 C ATOM 0 H ALA A 27 -10.361 16.917 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.793 19.274 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.113 20.836 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.194 19.698 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.777 19.432 -1.316 1.00 0.00 H new ATOM 330 N THR A 28 -8.989 18.147 -0.733 1.00 0.00 N ATOM 331 CA THR A 28 -7.949 18.172 0.372 1.00 0.00 C ATOM 332 C THR A 28 -6.589 17.687 -0.162 1.00 0.00 C ATOM 333 O THR A 28 -5.617 18.418 -0.035 1.00 0.00 O ATOM 334 CB THR A 28 -8.397 17.196 1.513 1.00 0.00 C ATOM 335 OG1 THR A 28 -9.034 16.104 0.874 1.00 0.00 O ATOM 336 CG2 THR A 28 -9.508 17.752 2.457 1.00 0.00 C ATOM 0 H THR A 28 -9.608 17.337 -0.704 1.00 0.00 H new ATOM 0 HA THR A 28 -7.855 19.193 0.743 1.00 0.00 H new ATOM 0 HB THR A 28 -7.503 16.983 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.333 15.459 1.549 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.750 17.005 3.213 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.151 18.659 2.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.400 17.981 1.874 1.00 0.00 H new ATOM 344 N SER A 29 -6.567 16.489 -0.752 1.00 0.00 N ATOM 345 CA SER A 29 -5.300 15.888 -1.325 1.00 0.00 C ATOM 346 C SER A 29 -4.854 16.641 -2.611 1.00 0.00 C ATOM 347 O SER A 29 -5.573 16.644 -3.597 1.00 0.00 O ATOM 348 CB SER A 29 -5.604 14.417 -1.671 1.00 0.00 C ATOM 349 OG SER A 29 -6.850 14.428 -2.347 1.00 0.00 O ATOM 0 H SER A 29 -7.392 15.898 -0.859 1.00 0.00 H new ATOM 0 HA SER A 29 -4.492 15.967 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.821 13.994 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.654 13.806 -0.770 1.00 0.00 H new ATOM 0 HG SER A 29 -6.847 15.133 -3.027 1.00 0.00 H new ATOM 355 N THR A 30 -3.663 17.249 -2.549 1.00 0.00 N ATOM 356 CA THR A 30 -3.067 18.036 -3.714 1.00 0.00 C ATOM 357 C THR A 30 -2.423 17.116 -4.773 1.00 0.00 C ATOM 358 O THR A 30 -2.177 17.548 -5.889 1.00 0.00 O ATOM 359 CB THR A 30 -1.932 18.967 -3.169 1.00 0.00 C ATOM 360 OG1 THR A 30 -0.912 18.084 -2.747 1.00 0.00 O ATOM 361 CG2 THR A 30 -2.277 19.765 -1.871 1.00 0.00 C ATOM 0 H THR A 30 -3.069 17.230 -1.720 1.00 0.00 H new ATOM 0 HA THR A 30 -3.881 18.596 -4.174 1.00 0.00 H new ATOM 0 HB THR A 30 -1.705 19.683 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.159 18.600 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.422 20.377 -1.582 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.137 20.408 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.513 19.068 -1.067 1.00 0.00 H new ATOM 369 N SER A 31 -2.173 15.876 -4.378 1.00 0.00 N ATOM 370 CA SER A 31 -1.542 14.818 -5.261 1.00 0.00 C ATOM 371 C SER A 31 -1.733 13.461 -4.578 1.00 0.00 C ATOM 372 O SER A 31 -1.926 13.436 -3.375 1.00 0.00 O ATOM 373 CB SER A 31 -0.014 15.103 -5.395 1.00 0.00 C ATOM 374 OG SER A 31 0.369 15.597 -4.119 1.00 0.00 O ATOM 0 H SER A 31 -2.390 15.541 -3.439 1.00 0.00 H new ATOM 0 HA SER A 31 -2.002 14.824 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.537 14.199 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.186 15.833 -6.180 1.00 0.00 H new ATOM 0 HG SER A 31 1.328 15.801 -4.121 1.00 0.00 H new ATOM 380 N ALA A 32 -1.731 12.380 -5.373 1.00 0.00 N ATOM 381 CA ALA A 32 -1.909 10.975 -4.824 1.00 0.00 C ATOM 382 C ALA A 32 -1.429 9.920 -5.830 1.00 0.00 C ATOM 383 O ALA A 32 -1.650 10.081 -7.020 1.00 0.00 O ATOM 384 CB ALA A 32 -3.406 10.724 -4.546 1.00 0.00 C ATOM 0 H ALA A 32 -1.612 12.422 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.320 10.893 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.539 9.717 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.767 11.450 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.971 10.828 -5.472 1.00 0.00 H new ATOM 390 N THR A 33 -0.800 8.869 -5.266 1.00 0.00 N ATOM 391 CA THR A 33 -0.224 7.686 -6.016 1.00 0.00 C ATOM 392 C THR A 33 -1.051 6.439 -5.658 1.00 0.00 C ATOM 393 O THR A 33 -1.585 6.378 -4.560 1.00 0.00 O ATOM 394 CB THR A 33 1.234 7.536 -5.471 1.00 0.00 C ATOM 395 OG1 THR A 33 1.747 8.854 -5.498 1.00 0.00 O ATOM 396 CG2 THR A 33 2.243 6.751 -6.371 1.00 0.00 C ATOM 0 H THR A 33 -0.665 8.798 -4.258 1.00 0.00 H new ATOM 0 HA THR A 33 -0.239 7.812 -7.099 1.00 0.00 H new ATOM 0 HB THR A 33 1.158 7.007 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.459 8.914 -6.169 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.217 6.717 -5.882 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.879 5.735 -6.525 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.338 7.252 -7.334 1.00 0.00 H new ATOM 404 N ALA A 34 -1.093 5.497 -6.613 1.00 0.00 N ATOM 405 CA ALA A 34 -1.849 4.181 -6.482 1.00 0.00 C ATOM 406 C ALA A 34 -0.852 3.006 -6.284 1.00 0.00 C ATOM 407 O ALA A 34 -0.161 2.632 -7.225 1.00 0.00 O ATOM 408 CB ALA A 34 -2.635 3.986 -7.802 1.00 0.00 C ATOM 0 H ALA A 34 -0.614 5.598 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.518 4.200 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.196 3.052 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.326 4.818 -7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.938 3.951 -8.639 1.00 0.00 H new ATOM 414 N LEU A 35 -0.764 2.533 -5.023 1.00 0.00 N ATOM 415 CA LEU A 35 0.150 1.381 -4.598 1.00 0.00 C ATOM 416 C LEU A 35 -0.666 0.291 -3.870 1.00 0.00 C ATOM 417 O LEU A 35 -1.648 0.622 -3.221 1.00 0.00 O ATOM 418 CB LEU A 35 1.137 1.953 -3.511 1.00 0.00 C ATOM 419 CG LEU A 35 2.384 2.822 -4.087 1.00 0.00 C ATOM 420 CD1 LEU A 35 2.784 3.991 -3.075 1.00 0.00 C ATOM 421 CD2 LEU A 35 3.656 1.918 -4.448 1.00 0.00 C ATOM 0 H LEU A 35 -1.310 2.917 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 35 0.647 0.973 -5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.569 2.578 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.534 1.120 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 35 2.045 3.271 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.621 4.557 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.932 4.656 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.073 3.560 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.457 2.552 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.998 1.398 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.380 1.188 -5.209 1.00 0.00 H new ATOM 433 N GLN A 36 -0.220 -0.975 -4.047 1.00 0.00 N ATOM 434 CA GLN A 36 -0.847 -2.217 -3.427 1.00 0.00 C ATOM 435 C GLN A 36 0.221 -2.837 -2.525 1.00 0.00 C ATOM 436 O GLN A 36 1.381 -2.764 -2.888 1.00 0.00 O ATOM 437 CB GLN A 36 -1.273 -3.297 -4.486 1.00 0.00 C ATOM 438 CG GLN A 36 -0.461 -3.320 -5.812 1.00 0.00 C ATOM 439 CD GLN A 36 -0.697 -4.680 -6.485 1.00 0.00 C ATOM 440 OE1 GLN A 36 -1.791 -5.006 -6.894 1.00 0.00 O ATOM 441 NE2 GLN A 36 0.307 -5.509 -6.620 1.00 0.00 N ATOM 0 H GLN A 36 0.592 -1.189 -4.626 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.752 -1.918 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.197 -4.280 -4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.324 -3.140 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.778 -2.509 -6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.600 -3.172 -5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.233 -5.248 -6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.163 -6.416 -7.065 1.00 0.00 H new ATOM 450 N CYS A 37 -0.198 -3.375 -1.372 1.00 0.00 N ATOM 451 CA CYS A 37 0.744 -4.031 -0.366 1.00 0.00 C ATOM 452 C CYS A 37 0.117 -5.336 0.163 1.00 0.00 C ATOM 453 O CYS A 37 -1.069 -5.360 0.455 1.00 0.00 O ATOM 454 CB CYS A 37 1.013 -3.053 0.821 1.00 0.00 C ATOM 455 SG CYS A 37 1.692 -1.403 0.449 1.00 0.00 S ATOM 0 H CYS A 37 -1.176 -3.385 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 37 1.688 -4.263 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.073 -2.912 1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.699 -3.547 1.509 1.00 0.00 H new ATOM 460 N ALA A 38 0.968 -6.372 0.297 1.00 0.00 N ATOM 461 CA ALA A 38 0.541 -7.740 0.793 1.00 0.00 C ATOM 462 C ALA A 38 0.550 -7.829 2.333 1.00 0.00 C ATOM 463 O ALA A 38 1.610 -7.734 2.936 1.00 0.00 O ATOM 464 CB ALA A 38 1.553 -8.756 0.218 1.00 0.00 C ATOM 0 H ALA A 38 1.961 -6.310 0.074 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.480 -7.942 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.288 -9.760 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.532 -8.714 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.555 -8.511 0.571 1.00 0.00 H new ATOM 470 N ILE A 39 -0.646 -8.020 2.912 1.00 0.00 N ATOM 471 CA ILE A 39 -0.824 -8.132 4.417 1.00 0.00 C ATOM 472 C ILE A 39 -0.368 -9.563 4.823 1.00 0.00 C ATOM 473 O ILE A 39 -0.933 -10.529 4.337 1.00 0.00 O ATOM 474 CB ILE A 39 -2.391 -7.858 4.774 1.00 0.00 C ATOM 475 CG1 ILE A 39 -2.872 -6.346 4.428 1.00 0.00 C ATOM 476 CG2 ILE A 39 -2.795 -8.303 6.287 1.00 0.00 C ATOM 477 CD1 ILE A 39 -2.523 -5.195 5.445 1.00 0.00 C ATOM 0 H ILE A 39 -1.516 -8.103 2.387 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.231 -7.402 4.967 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.950 -8.515 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.446 -6.075 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.955 -6.363 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.851 -8.093 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.612 -9.370 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.193 -7.744 7.004 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.912 -4.248 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.974 -5.415 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.441 -5.124 5.557 1.00 0.00 H new ATOM 489 N LEU A 40 0.632 -9.620 5.716 1.00 0.00 N ATOM 490 CA LEU A 40 1.236 -10.913 6.259 1.00 0.00 C ATOM 491 C LEU A 40 0.600 -11.129 7.656 1.00 0.00 C ATOM 492 O LEU A 40 -0.317 -10.394 7.993 1.00 0.00 O ATOM 493 CB LEU A 40 2.813 -10.724 6.416 1.00 0.00 C ATOM 494 CG LEU A 40 3.632 -10.113 5.142 1.00 0.00 C ATOM 495 CD1 LEU A 40 5.212 -10.120 5.425 1.00 0.00 C ATOM 496 CD2 LEU A 40 3.313 -10.856 3.756 1.00 0.00 C ATOM 0 H LEU A 40 1.068 -8.783 6.103 1.00 0.00 H new ATOM 0 HA LEU A 40 1.049 -11.760 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.990 -10.073 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.245 -11.695 6.659 1.00 0.00 H new ATOM 0 HG LEU A 40 3.285 -9.086 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.738 -9.709 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.427 -9.513 6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.546 -11.143 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.892 -10.397 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.579 -11.910 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.250 -10.767 3.532 1.00 0.00 H new ATOM 508 N ALA A 41 1.080 -12.135 8.400 1.00 0.00 N ATOM 509 CA ALA A 41 0.552 -12.460 9.784 1.00 0.00 C ATOM 510 C ALA A 41 0.824 -11.332 10.789 1.00 0.00 C ATOM 511 O ALA A 41 -0.086 -10.918 11.491 1.00 0.00 O ATOM 512 CB ALA A 41 1.270 -13.725 10.282 1.00 0.00 C ATOM 0 H ALA A 41 1.831 -12.752 8.091 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.527 -12.597 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.908 -13.981 11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.068 -14.550 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.344 -13.542 10.323 1.00 0.00 H new ATOM 518 N ASP A 42 2.069 -10.852 10.780 1.00 0.00 N ATOM 519 CA ASP A 42 2.526 -9.725 11.707 1.00 0.00 C ATOM 520 C ASP A 42 1.919 -8.350 11.287 1.00 0.00 C ATOM 521 O ASP A 42 1.835 -7.448 12.112 1.00 0.00 O ATOM 522 CB ASP A 42 4.086 -9.654 11.724 1.00 0.00 C ATOM 523 CG ASP A 42 4.701 -9.957 10.356 1.00 0.00 C ATOM 524 OD1 ASP A 42 4.510 -9.140 9.487 1.00 0.00 O ATOM 525 OD2 ASP A 42 5.331 -10.998 10.266 1.00 0.00 O ATOM 0 H ASP A 42 2.800 -11.199 10.159 1.00 0.00 H new ATOM 0 HA ASP A 42 2.165 -9.945 12.711 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.398 -8.661 12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.471 -10.363 12.457 1.00 0.00 H new ATOM 530 N GLY A 43 1.501 -8.257 10.015 1.00 0.00 N ATOM 531 CA GLY A 43 0.880 -7.007 9.426 1.00 0.00 C ATOM 532 C GLY A 43 1.880 -5.953 8.927 1.00 0.00 C ATOM 533 O GLY A 43 1.504 -4.790 8.865 1.00 0.00 O ATOM 0 H GLY A 43 1.572 -9.027 9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.237 -7.297 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.240 -6.549 10.180 1.00 0.00 H new ATOM 537 N ARG A 44 3.101 -6.382 8.580 1.00 0.00 N ATOM 538 CA ARG A 44 4.171 -5.428 8.066 1.00 0.00 C ATOM 539 C ARG A 44 3.803 -5.002 6.629 1.00 0.00 C ATOM 540 O ARG A 44 3.321 -5.822 5.866 1.00 0.00 O ATOM 541 CB ARG A 44 5.534 -6.174 7.984 1.00 0.00 C ATOM 542 CG ARG A 44 6.255 -6.380 9.384 1.00 0.00 C ATOM 543 CD ARG A 44 7.275 -5.262 9.780 1.00 0.00 C ATOM 544 NE ARG A 44 7.568 -5.411 11.234 1.00 0.00 N ATOM 545 CZ ARG A 44 8.414 -4.598 11.804 1.00 0.00 C ATOM 546 NH1 ARG A 44 7.971 -3.483 12.318 1.00 0.00 N ATOM 547 NH2 ARG A 44 9.676 -4.927 11.842 1.00 0.00 N ATOM 0 H ARG A 44 3.397 -7.357 8.633 1.00 0.00 H new ATOM 0 HA ARG A 44 4.238 -4.570 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.373 -7.149 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.200 -5.617 7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.493 -6.446 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.777 -7.337 9.368 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.190 -5.354 9.194 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.861 -4.275 9.572 1.00 0.00 H new ATOM 0 HE ARG A 44 7.111 -6.142 11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.977 -3.259 12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.619 -2.836 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.986 -5.807 11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.352 -4.304 12.283 1.00 0.00 H new ATOM 561 N GLY A 45 4.091 -3.745 6.309 1.00 0.00 N ATOM 562 CA GLY A 45 3.790 -3.157 4.947 1.00 0.00 C ATOM 563 C GLY A 45 4.773 -3.555 3.830 1.00 0.00 C ATOM 564 O GLY A 45 5.526 -2.699 3.395 1.00 0.00 O ATOM 0 H GLY A 45 4.533 -3.089 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.786 -3.461 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.782 -2.070 5.032 1.00 0.00 H new ATOM 568 N ALA A 46 4.703 -4.815 3.371 1.00 0.00 N ATOM 569 CA ALA A 46 5.615 -5.320 2.265 1.00 0.00 C ATOM 570 C ALA A 46 4.978 -4.858 0.955 1.00 0.00 C ATOM 571 O ALA A 46 3.914 -5.351 0.631 1.00 0.00 O ATOM 572 CB ALA A 46 5.662 -6.866 2.332 1.00 0.00 C ATOM 0 H ALA A 46 4.046 -5.511 3.723 1.00 0.00 H new ATOM 0 HA ALA A 46 6.634 -4.944 2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.313 -7.245 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.049 -7.177 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.657 -7.267 2.197 1.00 0.00 H new ATOM 578 N CYS A 47 5.615 -3.863 0.276 1.00 0.00 N ATOM 579 CA CYS A 47 5.085 -3.293 -1.046 1.00 0.00 C ATOM 580 C CYS A 47 6.196 -3.143 -2.092 1.00 0.00 C ATOM 581 O CYS A 47 7.321 -2.828 -1.741 1.00 0.00 O ATOM 582 CB CYS A 47 4.459 -1.879 -0.776 1.00 0.00 C ATOM 583 SG CYS A 47 3.672 -1.529 0.831 1.00 0.00 S ATOM 0 H CYS A 47 6.482 -3.430 0.595 1.00 0.00 H new ATOM 0 HA CYS A 47 4.341 -3.988 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.248 -1.141 -0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.712 -1.701 -1.550 1.00 0.00 H new ATOM 588 N ASN A 48 5.810 -3.379 -3.360 1.00 0.00 N ATOM 589 CA ASN A 48 6.749 -3.286 -4.546 1.00 0.00 C ATOM 590 C ASN A 48 6.839 -1.820 -5.046 1.00 0.00 C ATOM 591 O ASN A 48 5.820 -1.200 -5.322 1.00 0.00 O ATOM 592 CB ASN A 48 6.175 -4.207 -5.651 1.00 0.00 C ATOM 593 CG ASN A 48 7.051 -4.142 -6.907 1.00 0.00 C ATOM 594 OD1 ASN A 48 6.747 -3.452 -7.855 1.00 0.00 O ATOM 595 ND2 ASN A 48 8.141 -4.862 -6.963 1.00 0.00 N ATOM 0 H ASN A 48 4.856 -3.638 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 48 7.757 -3.598 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.124 -5.233 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.157 -3.904 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.725 -4.839 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.407 -5.447 -6.171 1.00 0.00 H new ATOM 602 N VAL A 49 8.073 -1.326 -5.156 1.00 0.00 N ATOM 603 CA VAL A 49 8.365 0.095 -5.624 1.00 0.00 C ATOM 604 C VAL A 49 8.077 0.381 -7.131 1.00 0.00 C ATOM 605 O VAL A 49 7.714 1.494 -7.445 1.00 0.00 O ATOM 606 CB VAL A 49 9.913 0.462 -5.300 1.00 0.00 C ATOM 607 CG1 VAL A 49 10.096 0.965 -3.793 1.00 0.00 C ATOM 608 CG2 VAL A 49 10.945 -0.721 -5.644 1.00 0.00 C ATOM 0 H VAL A 49 8.911 -1.864 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 49 7.669 0.725 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 49 10.163 1.284 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.145 1.201 -3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.490 1.857 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.778 0.180 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.958 -0.402 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.693 -1.605 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.885 -0.959 -6.706 1.00 0.00 H new ATOM 618 N ALA A 50 8.174 -0.630 -7.992 1.00 0.00 N ATOM 619 CA ALA A 50 7.924 -0.450 -9.498 1.00 0.00 C ATOM 620 C ALA A 50 6.464 -0.193 -9.957 1.00 0.00 C ATOM 621 O ALA A 50 6.284 0.198 -11.101 1.00 0.00 O ATOM 622 CB ALA A 50 8.390 -1.739 -10.206 1.00 0.00 C ATOM 0 H ALA A 50 8.417 -1.583 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 50 8.472 0.456 -9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.226 -1.644 -11.279 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.451 -1.896 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.822 -2.588 -9.826 1.00 0.00 H new ATOM 628 N GLU A 51 5.487 -0.343 -9.061 1.00 0.00 N ATOM 629 CA GLU A 51 4.002 -0.125 -9.400 1.00 0.00 C ATOM 630 C GLU A 51 3.577 1.376 -9.420 1.00 0.00 C ATOM 631 O GLU A 51 2.492 1.690 -9.895 1.00 0.00 O ATOM 632 CB GLU A 51 3.170 -0.871 -8.272 1.00 0.00 C ATOM 633 CG GLU A 51 3.119 -2.432 -8.413 1.00 0.00 C ATOM 634 CD GLU A 51 1.981 -2.882 -9.342 1.00 0.00 C ATOM 635 OE1 GLU A 51 0.887 -3.057 -8.831 1.00 0.00 O ATOM 636 OE2 GLU A 51 2.285 -3.038 -10.509 1.00 0.00 O ATOM 0 H GLU A 51 5.653 -0.612 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 51 3.818 -0.508 -10.404 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.598 -0.622 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.150 -0.487 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.071 -2.793 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.985 -2.882 -7.429 1.00 0.00 H new ATOM 643 N PHE A 52 4.476 2.254 -8.997 1.00 0.00 N ATOM 644 CA PHE A 52 4.208 3.761 -8.951 1.00 0.00 C ATOM 645 C PHE A 52 4.002 4.460 -10.320 1.00 0.00 C ATOM 646 O PHE A 52 4.287 3.877 -11.357 1.00 0.00 O ATOM 647 CB PHE A 52 5.415 4.432 -8.213 1.00 0.00 C ATOM 648 CG PHE A 52 6.573 4.956 -9.197 1.00 0.00 C ATOM 649 CD1 PHE A 52 7.430 4.047 -9.875 1.00 0.00 C ATOM 650 CD2 PHE A 52 6.865 6.344 -9.368 1.00 0.00 C ATOM 651 CE1 PHE A 52 8.486 4.497 -10.640 1.00 0.00 C ATOM 652 CE2 PHE A 52 7.932 6.750 -10.144 1.00 0.00 C ATOM 653 CZ PHE A 52 8.734 5.836 -10.774 1.00 0.00 C ATOM 0 H PHE A 52 5.407 1.991 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 52 3.256 3.884 -8.434 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.046 5.271 -7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.844 3.715 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.251 2.985 -9.790 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.244 7.084 -8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.125 3.784 -11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.137 7.804 -10.256 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.564 6.173 -11.378 1.00 0.00 H new ATOM 663 N HIS A 53 3.483 5.695 -10.228 1.00 0.00 N ATOM 664 CA HIS A 53 3.194 6.589 -11.421 1.00 0.00 C ATOM 665 C HIS A 53 3.450 8.050 -11.003 1.00 0.00 C ATOM 666 O HIS A 53 4.336 8.669 -11.558 1.00 0.00 O ATOM 667 CB HIS A 53 1.717 6.413 -11.867 1.00 0.00 C ATOM 668 CG HIS A 53 1.610 5.262 -12.887 1.00 0.00 C ATOM 669 ND1 HIS A 53 1.790 5.405 -14.146 1.00 0.00 N ATOM 670 CD2 HIS A 53 1.301 3.921 -12.703 1.00 0.00 C ATOM 671 CE1 HIS A 53 1.612 4.266 -14.722 1.00 0.00 C ATOM 672 NE2 HIS A 53 1.306 3.297 -13.881 1.00 0.00 N ATOM 0 H HIS A 53 3.243 6.126 -9.335 1.00 0.00 H new ATOM 0 HA HIS A 53 3.840 6.322 -12.257 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.089 6.203 -11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 53 1.349 7.338 -12.310 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.089 3.455 -11.752 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.704 4.119 -15.788 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.120 2.315 -14.082 1.00 0.00 H new ATOM 679 N ASP A 54 2.687 8.516 -10.004 1.00 0.00 N ATOM 680 CA ASP A 54 2.769 9.929 -9.426 1.00 0.00 C ATOM 681 C ASP A 54 2.503 11.087 -10.447 1.00 0.00 C ATOM 682 O ASP A 54 3.267 11.302 -11.379 1.00 0.00 O ATOM 683 CB ASP A 54 4.132 10.146 -8.665 1.00 0.00 C ATOM 684 CG ASP A 54 3.971 11.265 -7.625 1.00 0.00 C ATOM 685 OD1 ASP A 54 4.204 12.402 -8.005 1.00 0.00 O ATOM 686 OD2 ASP A 54 3.642 10.917 -6.501 1.00 0.00 O ATOM 0 H ASP A 54 1.978 7.942 -9.547 1.00 0.00 H new ATOM 0 HA ASP A 54 1.941 9.990 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.437 9.222 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.918 10.405 -9.374 1.00 0.00 H new ATOM 691 N PHE A 55 1.371 11.790 -10.245 1.00 0.00 N ATOM 692 CA PHE A 55 0.929 12.959 -11.120 1.00 0.00 C ATOM 693 C PHE A 55 -0.147 13.750 -10.346 1.00 0.00 C ATOM 694 O PHE A 55 -0.928 13.164 -9.605 1.00 0.00 O ATOM 695 CB PHE A 55 0.359 12.547 -12.552 1.00 0.00 C ATOM 696 CG PHE A 55 -1.048 11.798 -12.491 1.00 0.00 C ATOM 697 CD1 PHE A 55 -1.157 10.498 -11.951 1.00 0.00 C ATOM 698 CD2 PHE A 55 -2.260 12.411 -12.920 1.00 0.00 C ATOM 699 CE1 PHE A 55 -2.375 9.879 -11.835 1.00 0.00 C ATOM 700 CE2 PHE A 55 -3.461 11.754 -12.790 1.00 0.00 C ATOM 701 CZ PHE A 55 -3.520 10.498 -12.253 1.00 0.00 C ATOM 0 H PHE A 55 0.723 11.587 -9.484 1.00 0.00 H new ATOM 0 HA PHE A 55 1.818 13.555 -11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.257 13.443 -13.164 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.083 11.902 -13.049 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.266 9.983 -11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.236 13.401 -13.351 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.431 8.889 -11.408 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.370 12.237 -13.117 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.471 9.995 -12.159 1.00 0.00 H new ATOM 711 N SER A 56 -0.119 15.070 -10.517 1.00 0.00 N ATOM 712 CA SER A 56 -1.094 16.000 -9.836 1.00 0.00 C ATOM 713 C SER A 56 -2.507 15.907 -10.431 1.00 0.00 C ATOM 714 O SER A 56 -2.640 15.645 -11.611 1.00 0.00 O ATOM 715 CB SER A 56 -0.560 17.426 -10.070 1.00 0.00 C ATOM 716 OG SER A 56 -0.373 17.511 -11.475 1.00 0.00 O ATOM 0 H SER A 56 0.557 15.545 -11.115 1.00 0.00 H new ATOM 0 HA SER A 56 -1.171 15.735 -8.782 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.267 18.177 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.375 17.592 -9.535 1.00 0.00 H new ATOM 0 HG SER A 56 -0.032 18.400 -11.706 1.00 0.00 H new ATOM 722 N LEU A 57 -3.512 16.202 -9.597 1.00 0.00 N ATOM 723 CA LEU A 57 -4.967 16.158 -10.035 1.00 0.00 C ATOM 724 C LEU A 57 -5.271 17.447 -10.810 1.00 0.00 C ATOM 725 O LEU A 57 -4.640 18.471 -10.580 1.00 0.00 O ATOM 726 CB LEU A 57 -5.925 16.138 -8.766 1.00 0.00 C ATOM 727 CG LEU A 57 -5.599 15.061 -7.578 1.00 0.00 C ATOM 728 CD1 LEU A 57 -6.771 15.042 -6.483 1.00 0.00 C ATOM 729 CD2 LEU A 57 -5.303 13.576 -8.104 1.00 0.00 C ATOM 0 H LEU A 57 -3.377 16.473 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.130 15.266 -10.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.917 17.135 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.940 15.952 -9.116 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.674 15.408 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.530 14.318 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.870 16.033 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.710 14.762 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.096 12.924 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.172 13.202 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.439 13.591 -8.769 1.00 0.00 H new ATOM 741 N SER A 58 -6.232 17.334 -11.731 1.00 0.00 N ATOM 742 CA SER A 58 -6.677 18.488 -12.601 1.00 0.00 C ATOM 743 C SER A 58 -7.453 19.554 -11.820 1.00 0.00 C ATOM 744 O SER A 58 -7.430 20.723 -12.173 1.00 0.00 O ATOM 745 CB SER A 58 -7.598 17.898 -13.685 1.00 0.00 C ATOM 746 OG SER A 58 -7.939 19.006 -14.505 1.00 0.00 O ATOM 0 H SER A 58 -6.733 16.464 -11.913 1.00 0.00 H new ATOM 0 HA SER A 58 -5.796 18.978 -13.015 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.090 17.122 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.485 17.441 -13.246 1.00 0.00 H new ATOM 0 HG SER A 58 -8.530 18.708 -15.228 1.00 0.00 H new ATOM 752 N GLY A 59 -8.107 19.099 -10.781 1.00 0.00 N ATOM 753 CA GLY A 59 -8.926 19.977 -9.889 1.00 0.00 C ATOM 754 C GLY A 59 -9.503 19.117 -8.769 1.00 0.00 C ATOM 755 O GLY A 59 -9.604 19.571 -7.639 1.00 0.00 O ATOM 0 H GLY A 59 -8.106 18.117 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.312 20.777 -9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.728 20.451 -10.455 1.00 0.00 H new ATOM 759 N GLY A 60 -9.850 17.888 -9.133 1.00 0.00 N ATOM 760 CA GLY A 60 -10.433 16.909 -8.155 1.00 0.00 C ATOM 761 C GLY A 60 -10.802 15.598 -8.857 1.00 0.00 C ATOM 762 O GLY A 60 -11.740 14.949 -8.423 1.00 0.00 O ATOM 0 H GLY A 60 -9.749 17.526 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.715 16.712 -7.359 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.319 17.339 -7.687 1.00 0.00 H new ATOM 766 N GLU A 61 -10.074 15.282 -9.949 1.00 0.00 N ATOM 767 CA GLU A 61 -10.290 14.015 -10.786 1.00 0.00 C ATOM 768 C GLU A 61 -8.920 13.493 -11.226 1.00 0.00 C ATOM 769 O GLU A 61 -7.965 14.253 -11.267 1.00 0.00 O ATOM 770 CB GLU A 61 -11.084 14.314 -12.119 1.00 0.00 C ATOM 771 CG GLU A 61 -12.384 15.142 -11.950 1.00 0.00 C ATOM 772 CD GLU A 61 -13.220 14.994 -13.224 1.00 0.00 C ATOM 773 OE1 GLU A 61 -12.900 15.703 -14.165 1.00 0.00 O ATOM 774 OE2 GLU A 61 -14.128 14.182 -13.184 1.00 0.00 O ATOM 0 H GLU A 61 -9.319 15.872 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.849 13.308 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.423 14.844 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.337 13.365 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.947 14.792 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.145 16.191 -11.773 1.00 0.00 H new ATOM 781 N GLY A 62 -8.871 12.198 -11.527 1.00 0.00 N ATOM 782 CA GLY A 62 -7.602 11.532 -11.978 1.00 0.00 C ATOM 783 C GLY A 62 -7.883 10.058 -12.308 1.00 0.00 C ATOM 784 O GLY A 62 -8.679 9.440 -11.624 1.00 0.00 O ATOM 0 H GLY A 62 -9.676 11.573 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.204 12.042 -12.855 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.845 11.602 -11.197 1.00 0.00 H new ATOM 788 N THR A 63 -7.235 9.578 -13.393 1.00 0.00 N ATOM 789 CA THR A 63 -7.357 8.149 -13.914 1.00 0.00 C ATOM 790 C THR A 63 -5.947 7.667 -14.278 1.00 0.00 C ATOM 791 O THR A 63 -5.103 8.494 -14.592 1.00 0.00 O ATOM 792 CB THR A 63 -8.224 8.171 -15.234 1.00 0.00 C ATOM 793 OG1 THR A 63 -9.261 9.108 -15.017 1.00 0.00 O ATOM 794 CG2 THR A 63 -9.012 6.865 -15.551 1.00 0.00 C ATOM 0 H THR A 63 -6.604 10.153 -13.952 1.00 0.00 H new ATOM 0 HA THR A 63 -7.816 7.500 -13.168 1.00 0.00 H new ATOM 0 HB THR A 63 -7.516 8.366 -16.040 1.00 0.00 H new ATOM 0 HG1 THR A 63 -9.828 9.158 -15.814 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.571 6.993 -16.478 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.313 6.036 -15.661 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.704 6.651 -14.737 1.00 0.00 H new ATOM 802 N THR A 64 -5.733 6.342 -14.168 1.00 0.00 N ATOM 803 CA THR A 64 -4.386 5.722 -14.498 1.00 0.00 C ATOM 804 C THR A 64 -4.469 4.189 -14.735 1.00 0.00 C ATOM 805 O THR A 64 -5.186 3.505 -14.023 1.00 0.00 O ATOM 806 CB THR A 64 -3.340 6.030 -13.357 1.00 0.00 C ATOM 807 OG1 THR A 64 -2.388 4.986 -13.428 1.00 0.00 O ATOM 808 CG2 THR A 64 -3.856 5.925 -11.880 1.00 0.00 C ATOM 0 H THR A 64 -6.441 5.674 -13.863 1.00 0.00 H new ATOM 0 HA THR A 64 -4.057 6.177 -15.432 1.00 0.00 H new ATOM 0 HB THR A 64 -3.013 7.055 -13.530 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.703 5.120 -12.740 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.043 6.160 -11.193 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.674 6.630 -11.729 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.211 4.912 -11.690 1.00 0.00 H new ATOM 816 N SER A 65 -3.725 3.726 -15.753 1.00 0.00 N ATOM 817 CA SER A 65 -3.663 2.266 -16.144 1.00 0.00 C ATOM 818 C SER A 65 -2.560 1.592 -15.302 1.00 0.00 C ATOM 819 O SER A 65 -1.419 2.029 -15.379 1.00 0.00 O ATOM 820 CB SER A 65 -3.265 2.195 -17.634 1.00 0.00 C ATOM 821 OG SER A 65 -2.682 0.907 -17.784 1.00 0.00 O ATOM 0 H SER A 65 -3.146 4.329 -16.337 1.00 0.00 H new ATOM 0 HA SER A 65 -4.620 1.771 -15.979 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.132 2.316 -18.283 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.559 2.983 -17.895 1.00 0.00 H new ATOM 0 HG SER A 65 -2.401 0.782 -18.714 1.00 0.00 H new ATOM 827 N VAL A 66 -2.959 0.591 -14.494 1.00 0.00 N ATOM 828 CA VAL A 66 -2.018 -0.206 -13.572 1.00 0.00 C ATOM 829 C VAL A 66 -2.117 -1.690 -14.012 1.00 0.00 C ATOM 830 O VAL A 66 -3.189 -2.119 -14.408 1.00 0.00 O ATOM 831 CB VAL A 66 -2.490 -0.044 -12.022 1.00 0.00 C ATOM 832 CG1 VAL A 66 -1.349 -0.456 -10.961 1.00 0.00 C ATOM 833 CG2 VAL A 66 -3.005 1.440 -11.724 1.00 0.00 C ATOM 0 H VAL A 66 -3.931 0.286 -14.436 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.992 0.155 -13.646 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.315 -0.744 -11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.729 -0.324 -9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.072 -1.499 -11.112 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.473 0.177 -11.105 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.313 1.516 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.201 2.150 -11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.853 1.667 -12.370 1.00 0.00 H new ATOM 843 N VAL A 67 -0.959 -2.386 -13.936 1.00 0.00 N ATOM 844 CA VAL A 67 -0.797 -3.858 -14.310 1.00 0.00 C ATOM 845 C VAL A 67 -0.570 -4.582 -12.965 1.00 0.00 C ATOM 846 O VAL A 67 0.075 -4.009 -12.110 1.00 0.00 O ATOM 847 CB VAL A 67 0.482 -4.059 -15.295 1.00 0.00 C ATOM 848 CG1 VAL A 67 0.451 -5.470 -16.064 1.00 0.00 C ATOM 849 CG2 VAL A 67 0.610 -2.855 -16.339 1.00 0.00 C ATOM 0 H VAL A 67 -0.089 -1.962 -13.614 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.664 -4.247 -14.845 1.00 0.00 H new ATOM 0 HB VAL A 67 1.364 -4.057 -14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.327 -5.553 -16.708 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.458 -6.281 -15.336 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.452 -5.534 -16.670 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.475 -3.021 -16.982 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.292 -2.805 -16.949 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.734 -1.917 -15.799 1.00 0.00 H new ATOM 859 N VAL A 68 -1.202 -5.774 -12.803 1.00 0.00 N ATOM 860 CA VAL A 68 -1.086 -6.630 -11.529 1.00 0.00 C ATOM 861 C VAL A 68 -0.715 -8.107 -11.903 1.00 0.00 C ATOM 862 O VAL A 68 -1.411 -8.759 -12.667 1.00 0.00 O ATOM 863 CB VAL A 68 -2.423 -6.519 -10.588 1.00 0.00 C ATOM 864 CG1 VAL A 68 -2.733 -5.002 -10.198 1.00 0.00 C ATOM 865 CG2 VAL A 68 -3.727 -7.221 -11.197 1.00 0.00 C ATOM 0 H VAL A 68 -1.801 -6.187 -13.518 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.274 -6.235 -10.919 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.179 -7.082 -9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.626 -4.962 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.887 -4.587 -9.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.898 -4.420 -11.105 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.562 -7.098 -10.508 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.975 -6.761 -12.153 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.533 -8.283 -11.345 1.00 0.00 H new ATOM 875 N ARG A 69 0.467 -8.519 -11.414 1.00 0.00 N ATOM 876 CA ARG A 69 1.053 -9.907 -11.633 1.00 0.00 C ATOM 877 C ARG A 69 0.583 -10.824 -10.487 1.00 0.00 C ATOM 878 O ARG A 69 0.244 -10.322 -9.426 1.00 0.00 O ATOM 879 CB ARG A 69 2.623 -9.776 -11.577 1.00 0.00 C ATOM 880 CG ARG A 69 3.280 -9.109 -12.868 1.00 0.00 C ATOM 881 CD ARG A 69 3.726 -10.115 -13.981 1.00 0.00 C ATOM 882 NE ARG A 69 3.976 -9.334 -15.227 1.00 0.00 N ATOM 883 CZ ARG A 69 4.754 -9.830 -16.150 1.00 0.00 C ATOM 884 NH1 ARG A 69 4.279 -10.744 -16.951 1.00 0.00 N ATOM 885 NH2 ARG A 69 5.981 -9.395 -16.241 1.00 0.00 N ATOM 0 H ARG A 69 1.066 -7.917 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 69 0.736 -10.321 -12.590 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.894 -9.186 -10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.053 -10.768 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.565 -8.408 -13.299 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.148 -8.528 -12.556 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.627 -10.647 -13.676 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.954 -10.866 -14.149 1.00 0.00 H new ATOM 0 HE ARG A 69 3.542 -8.420 -15.357 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.314 -11.059 -16.850 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.872 -11.143 -17.678 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.317 -8.679 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.604 -9.771 -16.956 1.00 0.00 H new ATOM 899 N ARG A 70 0.592 -12.144 -10.738 1.00 0.00 N ATOM 900 CA ARG A 70 0.158 -13.187 -9.713 1.00 0.00 C ATOM 901 C ARG A 70 1.157 -13.285 -8.514 1.00 0.00 C ATOM 902 O ARG A 70 0.748 -13.707 -7.444 1.00 0.00 O ATOM 903 CB ARG A 70 0.133 -14.568 -10.476 1.00 0.00 C ATOM 904 CG ARG A 70 -0.903 -15.645 -9.902 1.00 0.00 C ATOM 905 CD ARG A 70 -0.566 -17.113 -10.310 1.00 0.00 C ATOM 906 NE ARG A 70 -0.276 -17.237 -11.771 1.00 0.00 N ATOM 907 CZ ARG A 70 -0.794 -18.227 -12.446 1.00 0.00 C ATOM 908 NH1 ARG A 70 -0.278 -19.418 -12.314 1.00 0.00 N ATOM 909 NH2 ARG A 70 -1.813 -17.994 -13.226 1.00 0.00 N ATOM 0 H ARG A 70 0.889 -12.542 -11.629 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.812 -12.915 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.104 -14.382 -11.524 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.134 -14.999 -10.447 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.923 -15.574 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.904 -15.399 -10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.296 -17.459 -9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.402 -17.762 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 70 0.322 -16.554 -12.237 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.517 -19.563 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.669 -20.204 -12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.192 -17.050 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.230 -18.756 -13.761 1.00 0.00 H new ATOM 923 N SER A 71 2.423 -12.914 -8.759 1.00 0.00 N ATOM 924 CA SER A 71 3.533 -12.945 -7.710 1.00 0.00 C ATOM 925 C SER A 71 4.542 -11.834 -7.993 1.00 0.00 C ATOM 926 O SER A 71 4.727 -11.491 -9.146 1.00 0.00 O ATOM 927 CB SER A 71 4.271 -14.288 -7.837 1.00 0.00 C ATOM 928 OG SER A 71 3.426 -15.222 -7.193 1.00 0.00 O ATOM 0 H SER A 71 2.736 -12.582 -9.671 1.00 0.00 H new ATOM 0 HA SER A 71 3.102 -12.814 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.433 -14.554 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.252 -14.248 -7.363 1.00 0.00 H new ATOM 0 HG SER A 71 3.832 -16.113 -7.234 1.00 0.00 H new ATOM 934 N PHE A 72 5.139 -11.284 -6.922 1.00 0.00 N ATOM 935 CA PHE A 72 6.168 -10.165 -7.064 1.00 0.00 C ATOM 936 C PHE A 72 7.109 -10.102 -5.857 1.00 0.00 C ATOM 937 O PHE A 72 6.709 -10.413 -4.745 1.00 0.00 O ATOM 938 CB PHE A 72 5.447 -8.780 -7.261 1.00 0.00 C ATOM 939 CG PHE A 72 4.150 -8.614 -6.332 1.00 0.00 C ATOM 940 CD1 PHE A 72 4.244 -8.141 -4.991 1.00 0.00 C ATOM 941 CD2 PHE A 72 2.834 -8.882 -6.813 1.00 0.00 C ATOM 942 CE1 PHE A 72 3.115 -7.960 -4.222 1.00 0.00 C ATOM 943 CE2 PHE A 72 1.733 -8.685 -6.006 1.00 0.00 C ATOM 944 CZ PHE A 72 1.874 -8.229 -4.725 1.00 0.00 C ATOM 0 H PHE A 72 4.954 -11.566 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 72 6.771 -10.384 -7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.150 -7.976 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.155 -8.673 -8.306 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.214 -7.921 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.698 -9.244 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.213 -7.601 -3.208 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.746 -8.894 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.000 -8.081 -4.108 1.00 0.00 H new ATOM 954 N THR A 73 8.349 -9.704 -6.159 1.00 0.00 N ATOM 955 CA THR A 73 9.446 -9.563 -5.151 1.00 0.00 C ATOM 956 C THR A 73 9.153 -8.385 -4.192 1.00 0.00 C ATOM 957 O THR A 73 9.283 -7.232 -4.577 1.00 0.00 O ATOM 958 CB THR A 73 10.738 -9.318 -6.010 1.00 0.00 C ATOM 959 OG1 THR A 73 10.986 -10.577 -6.604 1.00 0.00 O ATOM 960 CG2 THR A 73 12.070 -9.038 -5.237 1.00 0.00 C ATOM 0 H THR A 73 8.638 -9.466 -7.108 1.00 0.00 H new ATOM 0 HA THR A 73 9.552 -10.439 -4.512 1.00 0.00 H new ATOM 0 HB THR A 73 10.533 -8.447 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.785 -10.521 -7.169 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.880 -8.887 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.954 -8.143 -4.625 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.304 -9.888 -4.596 1.00 0.00 H new ATOM 968 N GLY A 74 8.773 -8.737 -2.961 1.00 0.00 N ATOM 969 CA GLY A 74 8.443 -7.719 -1.888 1.00 0.00 C ATOM 970 C GLY A 74 9.716 -7.016 -1.375 1.00 0.00 C ATOM 971 O GLY A 74 10.802 -7.560 -1.527 1.00 0.00 O ATOM 0 H GLY A 74 8.678 -9.706 -2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.751 -6.978 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.938 -8.213 -1.058 1.00 0.00 H new ATOM 975 N TYR A 75 9.517 -5.813 -0.807 1.00 0.00 N ATOM 976 CA TYR A 75 10.627 -4.951 -0.236 1.00 0.00 C ATOM 977 C TYR A 75 10.111 -4.250 1.043 1.00 0.00 C ATOM 978 O TYR A 75 9.304 -3.327 0.957 1.00 0.00 O ATOM 979 CB TYR A 75 11.004 -3.912 -1.342 1.00 0.00 C ATOM 980 CG TYR A 75 11.950 -2.736 -0.801 1.00 0.00 C ATOM 981 CD1 TYR A 75 13.323 -2.960 -0.559 1.00 0.00 C ATOM 982 CD2 TYR A 75 11.476 -1.411 -0.576 1.00 0.00 C ATOM 983 CE1 TYR A 75 14.148 -1.938 -0.134 1.00 0.00 C ATOM 984 CE2 TYR A 75 12.334 -0.417 -0.152 1.00 0.00 C ATOM 985 CZ TYR A 75 13.664 -0.671 0.070 1.00 0.00 C ATOM 986 OH TYR A 75 14.506 0.337 0.494 1.00 0.00 O ATOM 0 H TYR A 75 8.593 -5.391 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 75 11.505 -5.536 0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.506 -4.427 -2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.092 -3.478 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.735 -3.947 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.433 -1.182 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.194 -2.140 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 75 11.951 0.580 0.008 1.00 0.00 H new ATOM 0 HH TYR A 75 13.998 1.170 0.587 1.00 0.00 H new ATOM 996 N VAL A 76 10.595 -4.742 2.194 1.00 0.00 N ATOM 997 CA VAL A 76 10.206 -4.188 3.555 1.00 0.00 C ATOM 998 C VAL A 76 11.007 -2.857 3.712 1.00 0.00 C ATOM 999 O VAL A 76 12.160 -2.797 3.313 1.00 0.00 O ATOM 1000 CB VAL A 76 10.538 -5.230 4.753 1.00 0.00 C ATOM 1001 CG1 VAL A 76 9.522 -5.052 5.984 1.00 0.00 C ATOM 1002 CG2 VAL A 76 10.575 -6.761 4.279 1.00 0.00 C ATOM 0 H VAL A 76 11.255 -5.519 2.238 1.00 0.00 H new ATOM 0 HA VAL A 76 9.131 -4.018 3.617 1.00 0.00 H new ATOM 0 HB VAL A 76 11.546 -4.980 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.773 -5.765 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.600 -4.038 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.502 -5.231 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.803 -7.401 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.605 -7.038 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.343 -6.887 3.516 1.00 0.00 H new ATOM 1012 N MET A 77 10.369 -1.851 4.313 1.00 0.00 N ATOM 1013 CA MET A 77 10.994 -0.457 4.541 1.00 0.00 C ATOM 1014 C MET A 77 12.183 -0.195 5.580 1.00 0.00 C ATOM 1015 O MET A 77 13.018 0.607 5.183 1.00 0.00 O ATOM 1016 CB MET A 77 9.809 0.527 4.931 1.00 0.00 C ATOM 1017 CG MET A 77 8.953 1.078 3.729 1.00 0.00 C ATOM 1018 SD MET A 77 7.291 1.737 4.143 1.00 0.00 S ATOM 1019 CE MET A 77 7.607 3.499 4.531 1.00 0.00 C ATOM 0 H MET A 77 9.416 -1.932 4.667 1.00 0.00 H new ATOM 0 HA MET A 77 11.511 -0.305 3.593 1.00 0.00 H new ATOM 0 HB2 MET A 77 9.142 0.008 5.619 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.229 1.375 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.521 1.869 3.239 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.831 0.276 3.001 1.00 0.00 H new ATOM 0 HE1 MET A 77 6.669 3.988 4.794 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.299 3.568 5.370 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.041 3.991 3.661 1.00 0.00 H new ATOM 1029 N PRO A 78 12.334 -0.807 6.824 1.00 0.00 N ATOM 1030 CA PRO A 78 13.498 -0.468 7.737 1.00 0.00 C ATOM 1031 C PRO A 78 14.916 -0.879 7.265 1.00 0.00 C ATOM 1032 O PRO A 78 15.830 -0.110 7.509 1.00 0.00 O ATOM 1033 CB PRO A 78 13.195 -1.191 9.064 1.00 0.00 C ATOM 1034 CG PRO A 78 11.981 -2.098 8.841 1.00 0.00 C ATOM 1035 CD PRO A 78 11.494 -1.895 7.403 1.00 0.00 C ATOM 0 HA PRO A 78 13.553 0.619 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.056 -1.778 9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.991 -0.468 9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.249 -3.141 9.008 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.189 -1.855 9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.596 -2.814 6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.439 -1.622 7.385 1.00 0.00 H new ATOM 1043 N ASP A 79 15.064 -2.062 6.631 1.00 0.00 N ATOM 1044 CA ASP A 79 16.428 -2.551 6.134 1.00 0.00 C ATOM 1045 C ASP A 79 16.286 -3.599 5.030 1.00 0.00 C ATOM 1046 O ASP A 79 17.063 -3.579 4.097 1.00 0.00 O ATOM 1047 CB ASP A 79 17.202 -3.232 7.299 1.00 0.00 C ATOM 1048 CG ASP A 79 18.235 -2.275 7.914 1.00 0.00 C ATOM 1049 OD1 ASP A 79 19.330 -2.233 7.371 1.00 0.00 O ATOM 1050 OD2 ASP A 79 17.881 -1.664 8.908 1.00 0.00 O ATOM 0 H ASP A 79 14.294 -2.703 6.441 1.00 0.00 H new ATOM 0 HA ASP A 79 16.956 -1.677 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.499 -3.554 8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.705 -4.127 6.931 1.00 0.00 H new ATOM 1055 N GLY A 80 15.321 -4.491 5.184 1.00 0.00 N ATOM 1056 CA GLY A 80 15.069 -5.584 4.170 1.00 0.00 C ATOM 1057 C GLY A 80 16.181 -6.723 4.265 1.00 0.00 C ATOM 1058 O GLY A 80 16.194 -7.312 5.334 1.00 0.00 O ATOM 0 H GLY A 80 14.687 -4.508 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.084 -6.019 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.064 -5.159 3.166 1.00 0.00 H new ATOM 1062 N PRO A 81 17.098 -7.075 3.247 1.00 0.00 N ATOM 1063 CA PRO A 81 17.277 -6.483 1.860 1.00 0.00 C ATOM 1064 C PRO A 81 16.154 -6.869 0.893 1.00 0.00 C ATOM 1065 O PRO A 81 15.617 -5.990 0.251 1.00 0.00 O ATOM 1066 CB PRO A 81 18.617 -7.058 1.354 1.00 0.00 C ATOM 1067 CG PRO A 81 18.925 -8.298 2.203 1.00 0.00 C ATOM 1068 CD PRO A 81 18.082 -8.198 3.479 1.00 0.00 C ATOM 0 HA PRO A 81 17.259 -5.394 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.549 -7.321 0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 81 19.413 -6.319 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 81 18.685 -9.209 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.987 -8.343 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.563 -9.136 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.710 -7.992 4.346 1.00 0.00 H new ATOM 1076 N GLU A 82 15.835 -8.161 0.871 1.00 0.00 N ATOM 1077 CA GLU A 82 14.751 -8.752 -0.018 1.00 0.00 C ATOM 1078 C GLU A 82 14.219 -10.048 0.636 1.00 0.00 C ATOM 1079 O GLU A 82 15.019 -10.893 1.029 1.00 0.00 O ATOM 1080 CB GLU A 82 15.396 -9.177 -1.393 1.00 0.00 C ATOM 1081 CG GLU A 82 15.213 -8.168 -2.566 1.00 0.00 C ATOM 1082 CD GLU A 82 16.052 -8.650 -3.755 1.00 0.00 C ATOM 1083 OE1 GLU A 82 15.516 -9.443 -4.511 1.00 0.00 O ATOM 1084 OE2 GLU A 82 17.179 -8.192 -3.843 1.00 0.00 O ATOM 0 H GLU A 82 16.301 -8.855 1.456 1.00 0.00 H new ATOM 0 HA GLU A 82 13.957 -8.018 -0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.463 -9.337 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.970 -10.135 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 82 14.162 -8.099 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.527 -7.170 -2.260 1.00 0.00 H new ATOM 1091 N VAL A 83 12.880 -10.136 0.749 1.00 0.00 N ATOM 1092 CA VAL A 83 12.175 -11.340 1.361 1.00 0.00 C ATOM 1093 C VAL A 83 12.086 -12.480 0.331 1.00 0.00 C ATOM 1094 O VAL A 83 12.204 -13.637 0.709 1.00 0.00 O ATOM 1095 CB VAL A 83 10.684 -10.979 1.867 1.00 0.00 C ATOM 1096 CG1 VAL A 83 10.668 -10.605 3.418 1.00 0.00 C ATOM 1097 CG2 VAL A 83 9.933 -9.859 1.003 1.00 0.00 C ATOM 0 H VAL A 83 12.243 -9.404 0.433 1.00 0.00 H new ATOM 0 HA VAL A 83 12.765 -11.651 2.223 1.00 0.00 H new ATOM 0 HB VAL A 83 10.112 -11.894 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.649 -10.368 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.034 -11.451 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.309 -9.741 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.940 -9.684 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.506 -8.932 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.840 -10.197 -0.029 1.00 0.00 H new ATOM 1107 N GLY A 84 11.873 -12.080 -0.922 1.00 0.00 N ATOM 1108 CA GLY A 84 11.749 -13.000 -2.111 1.00 0.00 C ATOM 1109 C GLY A 84 10.297 -13.044 -2.584 1.00 0.00 C ATOM 1110 O GLY A 84 9.440 -12.386 -2.014 1.00 0.00 O ATOM 0 H GLY A 84 11.776 -11.096 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.394 -12.654 -2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.084 -14.002 -1.843 1.00 0.00 H new ATOM 1114 N ALA A 85 10.110 -13.801 -3.643 1.00 0.00 N ATOM 1115 CA ALA A 85 8.766 -14.004 -4.294 1.00 0.00 C ATOM 1116 C ALA A 85 7.746 -14.702 -3.379 1.00 0.00 C ATOM 1117 O ALA A 85 8.010 -15.811 -2.931 1.00 0.00 O ATOM 1118 CB ALA A 85 8.991 -14.895 -5.528 1.00 0.00 C ATOM 0 H ALA A 85 10.866 -14.309 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 85 8.357 -13.024 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.039 -15.067 -6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.679 -14.400 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.414 -15.850 -5.215 1.00 0.00 H new ATOM 1124 N VAL A 86 6.648 -13.965 -3.094 1.00 0.00 N ATOM 1125 CA VAL A 86 5.499 -14.437 -2.219 1.00 0.00 C ATOM 1126 C VAL A 86 4.176 -14.191 -2.997 1.00 0.00 C ATOM 1127 O VAL A 86 4.000 -13.143 -3.602 1.00 0.00 O ATOM 1128 CB VAL A 86 5.588 -13.694 -0.778 1.00 0.00 C ATOM 1129 CG1 VAL A 86 5.239 -12.133 -0.805 1.00 0.00 C ATOM 1130 CG2 VAL A 86 4.781 -14.470 0.363 1.00 0.00 C ATOM 0 H VAL A 86 6.513 -13.021 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 86 5.545 -15.504 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 86 6.646 -13.739 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.325 -11.723 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.933 -11.616 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.220 -11.994 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.874 -13.930 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.729 -14.535 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.189 -15.474 0.478 1.00 0.00 H new ATOM 1140 N ASP A 87 3.310 -15.200 -2.953 1.00 0.00 N ATOM 1141 CA ASP A 87 1.968 -15.154 -3.649 1.00 0.00 C ATOM 1142 C ASP A 87 0.950 -14.372 -2.814 1.00 0.00 C ATOM 1143 O ASP A 87 0.989 -14.439 -1.599 1.00 0.00 O ATOM 1144 CB ASP A 87 1.439 -16.604 -3.784 1.00 0.00 C ATOM 1145 CG ASP A 87 1.680 -17.110 -5.204 1.00 0.00 C ATOM 1146 OD1 ASP A 87 2.791 -17.554 -5.439 1.00 0.00 O ATOM 1147 OD2 ASP A 87 0.739 -17.023 -5.976 1.00 0.00 O ATOM 0 H ASP A 87 3.486 -16.070 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 87 2.094 -14.673 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.941 -17.253 -3.066 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.374 -16.636 -3.552 1.00 0.00 H new ATOM 1152 N CYS A 88 0.063 -13.668 -3.504 1.00 0.00 N ATOM 1153 CA CYS A 88 -1.005 -12.845 -2.843 1.00 0.00 C ATOM 1154 C CYS A 88 -2.157 -13.726 -2.307 1.00 0.00 C ATOM 1155 O CYS A 88 -2.786 -13.376 -1.324 1.00 0.00 O ATOM 1156 CB CYS A 88 -1.565 -11.919 -3.939 1.00 0.00 C ATOM 1157 SG CYS A 88 -2.895 -10.786 -3.487 1.00 0.00 S ATOM 0 H CYS A 88 0.041 -13.634 -4.523 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.587 -12.301 -1.996 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.739 -11.326 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -1.922 -12.546 -4.756 1.00 0.00 H new ATOM 1162 N ASP A 89 -2.357 -14.863 -2.966 1.00 0.00 N ATOM 1163 CA ASP A 89 -3.441 -15.855 -2.594 1.00 0.00 C ATOM 1164 C ASP A 89 -3.179 -16.684 -1.318 1.00 0.00 C ATOM 1165 O ASP A 89 -4.138 -17.024 -0.636 1.00 0.00 O ATOM 1166 CB ASP A 89 -3.536 -16.853 -3.766 1.00 0.00 C ATOM 1167 CG ASP A 89 -4.291 -16.206 -4.929 1.00 0.00 C ATOM 1168 OD1 ASP A 89 -3.651 -15.443 -5.634 1.00 0.00 O ATOM 1169 OD2 ASP A 89 -5.463 -16.518 -5.049 1.00 0.00 O ATOM 0 H ASP A 89 -1.796 -15.150 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.343 -15.275 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.537 -17.149 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.049 -17.759 -3.445 1.00 0.00 H new ATOM 1174 N THR A 90 -1.906 -16.902 -0.985 1.00 0.00 N ATOM 1175 CA THR A 90 -1.523 -17.723 0.249 1.00 0.00 C ATOM 1176 C THR A 90 -1.623 -16.918 1.557 1.00 0.00 C ATOM 1177 O THR A 90 -1.822 -17.529 2.605 1.00 0.00 O ATOM 1178 CB THR A 90 -0.031 -18.192 0.105 1.00 0.00 C ATOM 1179 OG1 THR A 90 0.659 -17.100 -0.451 1.00 0.00 O ATOM 1180 CG2 THR A 90 0.206 -19.347 -0.921 1.00 0.00 C ATOM 0 H THR A 90 -1.111 -16.546 -1.516 1.00 0.00 H new ATOM 0 HA THR A 90 -2.221 -18.559 0.302 1.00 0.00 H new ATOM 0 HB THR A 90 0.285 -18.537 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.604 -17.334 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.266 -19.598 -0.947 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.368 -20.224 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.115 -19.025 -1.912 1.00 0.00 H new ATOM 1188 N ALA A 91 -1.551 -15.580 1.459 1.00 0.00 N ATOM 1189 CA ALA A 91 -1.637 -14.684 2.696 1.00 0.00 C ATOM 1190 C ALA A 91 -3.094 -14.727 3.342 1.00 0.00 C ATOM 1191 O ALA A 91 -4.005 -14.977 2.566 1.00 0.00 O ATOM 1192 CB ALA A 91 -1.361 -13.229 2.271 1.00 0.00 C ATOM 0 H ALA A 91 -1.437 -15.077 0.579 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.909 -15.040 3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.419 -12.578 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.365 -13.161 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.103 -12.918 1.536 1.00 0.00 H new ATOM 1198 N PRO A 92 -3.351 -14.445 4.697 1.00 0.00 N ATOM 1199 CA PRO A 92 -4.756 -14.508 5.252 1.00 0.00 C ATOM 1200 C PRO A 92 -5.663 -13.336 4.800 1.00 0.00 C ATOM 1201 O PRO A 92 -6.744 -13.584 4.290 1.00 0.00 O ATOM 1202 CB PRO A 92 -4.563 -14.443 6.786 1.00 0.00 C ATOM 1203 CG PRO A 92 -3.188 -13.809 7.041 1.00 0.00 C ATOM 1204 CD PRO A 92 -2.357 -14.027 5.772 1.00 0.00 C ATOM 0 HA PRO A 92 -5.258 -15.408 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.352 -13.851 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.615 -15.440 7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.287 -12.746 7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.705 -14.268 7.903 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.831 -13.116 5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.600 -14.796 5.926 1.00 0.00 H new ATOM 1212 N GLY A 93 -5.175 -12.106 4.974 1.00 0.00 N ATOM 1213 CA GLY A 93 -5.943 -10.862 4.588 1.00 0.00 C ATOM 1214 C GLY A 93 -5.998 -10.653 3.076 1.00 0.00 C ATOM 1215 O GLY A 93 -7.033 -10.268 2.556 1.00 0.00 O ATOM 0 H GLY A 93 -4.257 -11.917 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.958 -10.930 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.479 -9.993 5.055 1.00 0.00 H new ATOM 1219 N GLY A 94 -4.848 -10.864 2.439 1.00 0.00 N ATOM 1220 CA GLY A 94 -4.691 -10.708 0.941 1.00 0.00 C ATOM 1221 C GLY A 94 -4.422 -9.238 0.566 1.00 0.00 C ATOM 1222 O GLY A 94 -4.504 -8.356 1.410 1.00 0.00 O ATOM 0 H GLY A 94 -3.990 -11.146 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.870 -11.333 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.593 -11.056 0.439 1.00 0.00 H new ATOM 1226 N CYS A 95 -4.100 -9.045 -0.705 1.00 0.00 N ATOM 1227 CA CYS A 95 -3.796 -7.682 -1.270 1.00 0.00 C ATOM 1228 C CYS A 95 -5.048 -6.795 -1.361 1.00 0.00 C ATOM 1229 O CYS A 95 -6.145 -7.317 -1.507 1.00 0.00 O ATOM 1230 CB CYS A 95 -3.248 -7.895 -2.688 1.00 0.00 C ATOM 1231 SG CYS A 95 -1.933 -9.119 -2.880 1.00 0.00 S ATOM 0 H CYS A 95 -4.035 -9.799 -1.388 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.085 -7.179 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.078 -8.185 -3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.877 -6.938 -3.056 1.00 0.00 H new ATOM 1236 N GLU A 96 -4.814 -5.480 -1.240 1.00 0.00 N ATOM 1237 CA GLU A 96 -5.888 -4.403 -1.298 1.00 0.00 C ATOM 1238 C GLU A 96 -5.265 -3.156 -1.950 1.00 0.00 C ATOM 1239 O GLU A 96 -4.185 -2.763 -1.544 1.00 0.00 O ATOM 1240 CB GLU A 96 -6.278 -3.968 0.162 1.00 0.00 C ATOM 1241 CG GLU A 96 -7.449 -4.759 0.808 1.00 0.00 C ATOM 1242 CD GLU A 96 -7.405 -4.527 2.320 1.00 0.00 C ATOM 1243 OE1 GLU A 96 -7.912 -3.495 2.725 1.00 0.00 O ATOM 1244 OE2 GLU A 96 -6.866 -5.398 2.985 1.00 0.00 O ATOM 0 H GLU A 96 -3.877 -5.102 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.753 -4.783 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.399 -4.070 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.541 -2.910 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.403 -4.426 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.359 -5.822 0.584 1.00 0.00 H new ATOM 1251 N ILE A 97 -5.988 -2.563 -2.913 1.00 0.00 N ATOM 1252 CA ILE A 97 -5.521 -1.322 -3.656 1.00 0.00 C ATOM 1253 C ILE A 97 -5.831 -0.168 -2.675 1.00 0.00 C ATOM 1254 O ILE A 97 -6.991 0.047 -2.374 1.00 0.00 O ATOM 1255 CB ILE A 97 -6.359 -1.221 -5.044 1.00 0.00 C ATOM 1256 CG1 ILE A 97 -5.931 -2.361 -6.114 1.00 0.00 C ATOM 1257 CG2 ILE A 97 -6.363 0.266 -5.685 1.00 0.00 C ATOM 1258 CD1 ILE A 97 -4.653 -2.130 -7.005 1.00 0.00 C ATOM 0 H ILE A 97 -6.901 -2.902 -3.215 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.467 -1.314 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.396 -1.425 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.785 -3.291 -5.564 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.776 -2.517 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.940 0.262 -6.610 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.812 0.965 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.339 0.573 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.509 -2.986 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.785 -1.229 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.779 -2.015 -6.364 1.00 0.00 H new ATOM 1270 N VAL A 98 -4.762 0.519 -2.231 1.00 0.00 N ATOM 1271 CA VAL A 98 -4.836 1.686 -1.256 1.00 0.00 C ATOM 1272 C VAL A 98 -4.440 2.952 -2.056 1.00 0.00 C ATOM 1273 O VAL A 98 -3.359 2.995 -2.625 1.00 0.00 O ATOM 1274 CB VAL A 98 -3.812 1.398 -0.032 1.00 0.00 C ATOM 1275 CG1 VAL A 98 -3.481 2.697 0.870 1.00 0.00 C ATOM 1276 CG2 VAL A 98 -4.350 0.203 0.898 1.00 0.00 C ATOM 0 H VAL A 98 -3.809 0.301 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.830 1.821 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.874 1.105 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.790 2.421 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.027 3.467 0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.403 3.081 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.645 0.029 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.322 0.473 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.448 -0.705 0.303 1.00 0.00 H new ATOM 1286 N VAL A 99 -5.373 3.905 -2.060 1.00 0.00 N ATOM 1287 CA VAL A 99 -5.265 5.262 -2.757 1.00 0.00 C ATOM 1288 C VAL A 99 -5.369 6.246 -1.568 1.00 0.00 C ATOM 1289 O VAL A 99 -6.279 6.095 -0.771 1.00 0.00 O ATOM 1290 CB VAL A 99 -6.509 5.438 -3.795 1.00 0.00 C ATOM 1291 CG1 VAL A 99 -6.791 6.969 -4.225 1.00 0.00 C ATOM 1292 CG2 VAL A 99 -6.297 4.530 -5.092 1.00 0.00 C ATOM 0 H VAL A 99 -6.263 3.787 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.360 5.406 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.394 5.105 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.633 7.004 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.025 7.559 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.906 7.380 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.139 4.663 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.375 4.823 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.231 3.483 -4.796 1.00 0.00 H new ATOM 1302 N GLY A 100 -4.448 7.207 -1.480 1.00 0.00 N ATOM 1303 CA GLY A 100 -4.473 8.214 -0.343 1.00 0.00 C ATOM 1304 C GLY A 100 -3.323 9.214 -0.485 1.00 0.00 C ATOM 1305 O GLY A 100 -2.208 8.809 -0.771 1.00 0.00 O ATOM 0 H GLY A 100 -3.685 7.334 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.425 8.744 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.395 7.695 0.612 1.00 0.00 H new ATOM 1309 N GLY A 101 -3.635 10.489 -0.219 1.00 0.00 N ATOM 1310 CA GLY A 101 -2.630 11.612 -0.306 1.00 0.00 C ATOM 1311 C GLY A 101 -1.744 11.710 0.934 1.00 0.00 C ATOM 1312 O GLY A 101 -1.812 10.879 1.828 1.00 0.00 O ATOM 0 H GLY A 101 -4.568 10.791 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.002 11.465 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.157 12.556 -0.446 1.00 0.00 H new ATOM 1316 N ASN A 102 -0.998 12.806 0.957 1.00 0.00 N ATOM 1317 CA ASN A 102 -0.041 13.126 2.076 1.00 0.00 C ATOM 1318 C ASN A 102 -0.742 13.692 3.327 1.00 0.00 C ATOM 1319 O ASN A 102 -0.147 13.664 4.397 1.00 0.00 O ATOM 1320 CB ASN A 102 0.969 14.178 1.535 1.00 0.00 C ATOM 1321 CG ASN A 102 0.280 15.508 1.177 1.00 0.00 C ATOM 1322 OD1 ASN A 102 -0.295 15.638 0.012 1.00 0.00 O flip ATOM 1323 ND2 ASN A 102 0.279 16.450 1.950 1.00 0.00 N flip ATOM 0 H ASN A 102 -1.018 13.511 0.220 1.00 0.00 H new ATOM 0 HA ASN A 102 0.448 12.203 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.740 14.359 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.469 13.780 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.725 16.361 2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.168 17.328 1.684 1.00 0.00 H new ATOM 1330 N THR A 103 -1.994 14.147 3.159 1.00 0.00 N ATOM 1331 CA THR A 103 -2.804 14.736 4.300 1.00 0.00 C ATOM 1332 C THR A 103 -3.227 13.671 5.339 1.00 0.00 C ATOM 1333 O THR A 103 -2.717 13.718 6.447 1.00 0.00 O ATOM 1334 CB THR A 103 -4.088 15.431 3.721 1.00 0.00 C ATOM 1335 OG1 THR A 103 -4.532 14.602 2.662 1.00 0.00 O ATOM 1336 CG2 THR A 103 -3.825 16.806 3.020 1.00 0.00 C ATOM 0 H THR A 103 -2.485 14.130 2.265 1.00 0.00 H new ATOM 0 HA THR A 103 -2.168 15.459 4.811 1.00 0.00 H new ATOM 0 HB THR A 103 -4.769 15.583 4.559 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.338 14.988 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.767 17.212 2.651 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.385 17.501 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.139 16.663 2.185 1.00 0.00 H new ATOM 1344 N GLY A 104 -4.091 12.719 4.953 1.00 0.00 N ATOM 1345 CA GLY A 104 -4.550 11.648 5.924 1.00 0.00 C ATOM 1346 C GLY A 104 -5.733 10.827 5.382 1.00 0.00 C ATOM 1347 O GLY A 104 -6.113 9.859 6.026 1.00 0.00 O ATOM 0 H GLY A 104 -4.488 12.647 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.717 10.979 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.838 12.115 6.866 1.00 0.00 H new ATOM 1351 N GLU A 105 -6.287 11.250 4.239 1.00 0.00 N ATOM 1352 CA GLU A 105 -7.462 10.544 3.584 1.00 0.00 C ATOM 1353 C GLU A 105 -7.066 9.142 3.091 1.00 0.00 C ATOM 1354 O GLU A 105 -5.917 8.935 2.737 1.00 0.00 O ATOM 1355 CB GLU A 105 -7.884 11.378 2.324 1.00 0.00 C ATOM 1356 CG GLU A 105 -8.731 12.650 2.634 1.00 0.00 C ATOM 1357 CD GLU A 105 -10.231 12.320 2.571 1.00 0.00 C ATOM 1358 OE1 GLU A 105 -10.734 11.885 3.594 1.00 0.00 O ATOM 1359 OE2 GLU A 105 -10.786 12.529 1.504 1.00 0.00 O ATOM 0 H GLU A 105 -5.962 12.071 3.729 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.266 10.455 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.984 11.680 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.454 10.734 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.477 13.032 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.494 13.437 1.917 1.00 0.00 H new ATOM 1366 N TYR A 106 -8.052 8.228 3.141 1.00 0.00 N ATOM 1367 CA TYR A 106 -7.905 6.778 2.709 1.00 0.00 C ATOM 1368 C TYR A 106 -9.197 6.321 2.033 1.00 0.00 C ATOM 1369 O TYR A 106 -10.201 7.011 2.109 1.00 0.00 O ATOM 1370 CB TYR A 106 -7.600 5.846 3.944 1.00 0.00 C ATOM 1371 CG TYR A 106 -8.916 5.422 4.758 1.00 0.00 C ATOM 1372 CD1 TYR A 106 -9.589 6.348 5.589 1.00 0.00 C ATOM 1373 CD2 TYR A 106 -9.436 4.090 4.747 1.00 0.00 C ATOM 1374 CE1 TYR A 106 -10.680 5.969 6.343 1.00 0.00 C ATOM 1375 CE2 TYR A 106 -10.530 3.753 5.519 1.00 0.00 C ATOM 1376 CZ TYR A 106 -11.154 4.681 6.315 1.00 0.00 C ATOM 1377 OH TYR A 106 -12.245 4.323 7.081 1.00 0.00 O ATOM 0 H TYR A 106 -8.988 8.450 3.480 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.070 6.707 2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.091 4.947 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.914 6.360 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.242 7.370 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.968 3.339 4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.171 6.700 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.902 2.739 5.496 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.447 3.374 6.940 1.00 0.00 H new ATOM 1387 N GLY A 107 -9.117 5.164 1.392 1.00 0.00 N ATOM 1388 CA GLY A 107 -10.295 4.572 0.675 1.00 0.00 C ATOM 1389 C GLY A 107 -9.902 3.235 0.043 1.00 0.00 C ATOM 1390 O GLY A 107 -9.662 3.178 -1.153 1.00 0.00 O ATOM 0 H GLY A 107 -8.268 4.602 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.120 4.426 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.646 5.259 -0.095 1.00 0.00 H new ATOM 1394 N ASN A 108 -9.862 2.205 0.887 1.00 0.00 N ATOM 1395 CA ASN A 108 -9.496 0.800 0.455 1.00 0.00 C ATOM 1396 C ASN A 108 -10.560 0.154 -0.474 1.00 0.00 C ATOM 1397 O ASN A 108 -11.693 0.619 -0.519 1.00 0.00 O ATOM 1398 CB ASN A 108 -9.347 -0.051 1.742 1.00 0.00 C ATOM 1399 CG ASN A 108 -10.703 -0.266 2.429 1.00 0.00 C ATOM 1400 OD1 ASN A 108 -11.258 0.630 3.036 1.00 0.00 O ATOM 1401 ND2 ASN A 108 -11.266 -1.444 2.369 1.00 0.00 N ATOM 0 H ASN A 108 -10.074 2.288 1.881 1.00 0.00 H new ATOM 0 HA ASN A 108 -8.571 0.842 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.906 -1.016 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.662 0.444 2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.162 -1.605 2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -10.809 -2.202 1.863 1.00 0.00 H new ATOM 1408 N ALA A 109 -10.130 -0.877 -1.228 1.00 0.00 N ATOM 1409 CA ALA A 109 -11.043 -1.629 -2.197 1.00 0.00 C ATOM 1410 C ALA A 109 -10.450 -3.027 -2.532 1.00 0.00 C ATOM 1411 O ALA A 109 -9.514 -3.142 -3.315 1.00 0.00 O ATOM 1412 CB ALA A 109 -11.204 -0.800 -3.509 1.00 0.00 C ATOM 0 H ALA A 109 -9.172 -1.227 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.017 -1.767 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.855 -1.336 -4.200 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.643 0.170 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.227 -0.654 -3.970 1.00 0.00 H new ATOM 1418 N ALA A 110 -11.013 -4.051 -1.881 1.00 0.00 N ATOM 1419 CA ALA A 110 -10.578 -5.485 -2.071 1.00 0.00 C ATOM 1420 C ALA A 110 -11.006 -6.061 -3.431 1.00 0.00 C ATOM 1421 O ALA A 110 -12.029 -5.649 -3.959 1.00 0.00 O ATOM 1422 CB ALA A 110 -11.277 -6.310 -0.981 1.00 0.00 C ATOM 0 H ALA A 110 -11.774 -3.938 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 110 -9.490 -5.525 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.992 -7.358 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -10.979 -5.943 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -12.357 -6.216 -1.090 1.00 0.00 H new ATOM 1428 N ILE A 111 -10.165 -6.989 -3.935 1.00 0.00 N ATOM 1429 CA ILE A 111 -10.342 -7.729 -5.267 1.00 0.00 C ATOM 1430 C ILE A 111 -10.474 -9.251 -4.928 1.00 0.00 C ATOM 1431 O ILE A 111 -10.271 -9.582 -3.771 1.00 0.00 O ATOM 1432 CB ILE A 111 -9.072 -7.405 -6.231 1.00 0.00 C ATOM 1433 CG1 ILE A 111 -7.627 -7.505 -5.461 1.00 0.00 C ATOM 1434 CG2 ILE A 111 -9.277 -5.944 -6.892 1.00 0.00 C ATOM 1435 CD1 ILE A 111 -6.432 -7.984 -6.359 1.00 0.00 C ATOM 0 H ILE A 111 -9.318 -7.272 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 111 -11.233 -7.409 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 111 -9.041 -8.170 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -7.383 -6.526 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.727 -8.190 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.431 -5.716 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.196 -5.935 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.342 -5.194 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.520 -8.019 -5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.647 -8.978 -6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.298 -7.288 -7.187 1.00 0.00 H new ATOM 1447 N SER A 112 -10.832 -10.107 -5.914 1.00 0.00 N ATOM 1448 CA SER A 112 -10.986 -11.607 -5.679 1.00 0.00 C ATOM 1449 C SER A 112 -10.836 -12.399 -6.994 1.00 0.00 C ATOM 1450 O SER A 112 -11.615 -12.201 -7.912 1.00 0.00 O ATOM 1451 CB SER A 112 -12.405 -11.874 -5.129 1.00 0.00 C ATOM 1452 OG SER A 112 -12.297 -11.684 -3.725 1.00 0.00 O ATOM 0 H SER A 112 -11.022 -9.815 -6.873 1.00 0.00 H new ATOM 0 HA SER A 112 -10.212 -11.926 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.133 -11.189 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 112 -12.736 -12.885 -5.366 1.00 0.00 H new ATOM 0 HG SER A 112 -11.578 -11.045 -3.536 1.00 0.00 H new ATOM 1458 N PHE A 113 -9.829 -13.281 -7.028 1.00 0.00 N ATOM 1459 CA PHE A 113 -9.538 -14.143 -8.233 1.00 0.00 C ATOM 1460 C PHE A 113 -10.592 -15.252 -8.367 1.00 0.00 C ATOM 1461 O PHE A 113 -11.199 -15.629 -7.376 1.00 0.00 O ATOM 1462 CB PHE A 113 -8.166 -14.834 -8.008 1.00 0.00 C ATOM 1463 CG PHE A 113 -7.054 -13.773 -7.582 1.00 0.00 C ATOM 1464 CD1 PHE A 113 -6.394 -12.978 -8.551 1.00 0.00 C ATOM 1465 CD2 PHE A 113 -6.646 -13.600 -6.229 1.00 0.00 C ATOM 1466 CE1 PHE A 113 -5.401 -12.094 -8.185 1.00 0.00 C ATOM 1467 CE2 PHE A 113 -5.650 -12.705 -5.905 1.00 0.00 C ATOM 1468 CZ PHE A 113 -5.033 -11.959 -6.873 1.00 0.00 C ATOM 0 H PHE A 113 -9.190 -13.433 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.543 -13.520 -9.127 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.261 -15.596 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.857 -15.343 -8.921 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.672 -13.065 -9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.122 -14.176 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -4.908 -11.502 -8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.352 -12.590 -4.873 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.254 -11.262 -6.601 1.00 0.00 H new ATOM 1478 N GLY A 114 -10.768 -15.727 -9.598 1.00 0.00 N ATOM 1479 CA GLY A 114 -11.764 -16.824 -9.917 1.00 0.00 C ATOM 1480 C GLY A 114 -13.222 -16.348 -9.800 1.00 0.00 C ATOM 1481 O GLY A 114 -13.710 -16.345 -8.682 1.00 0.00 O ATOM 1482 OXT GLY A 114 -13.772 -16.033 -10.842 1.00 0.00 O ATOM 0 H GLY A 114 -10.250 -15.390 -10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.585 -17.190 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -11.604 -17.664 -9.241 1.00 0.00 H new TER 1486 GLY A 114