USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.0241 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.000817 K(o=-0.00082,f=-0.88) USER MOD Single : A 24 TYR OH : rot 38:sc= 0.536 USER MOD Single : A 28 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-0.028) USER MOD Single : A 29 GLN : amide:sc= -2.27 K(o=-2.3,f=-1.1!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 40 SER OG : rot -61:sc= 1.14 USER MOD Single : A 41 GLN : amide:sc= -0.465 X(o=-0.47,f=-0.9) USER MOD Single : A 43 SER OG : rot -29:sc= 0.223 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0789 USER MOD Single : A 48 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.35) USER MOD Single : A 49 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.6) USER MOD Single : A 56 SER OG : rot 85:sc= 0.812 USER MOD Single : A 60 GLN : amide:sc= -2 X(o=-2,f=-1.5) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 21:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.679 -18.197 -0.332 1.00 0.00 N ATOM 2 CA GLY A 1 -9.261 -18.462 -0.178 1.00 0.00 C ATOM 3 C GLY A 1 -8.626 -17.613 0.906 1.00 0.00 C ATOM 4 O GLY A 1 -9.013 -16.462 1.108 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.900 -18.065 -1.340 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.225 -19.001 0.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.930 -17.335 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.115 -19.516 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.755 -18.275 -1.125 1.00 0.00 H new ATOM 8 N SER A 2 -7.650 -18.182 1.607 1.00 0.00 N ATOM 9 CA SER A 2 -6.965 -17.470 2.679 1.00 0.00 C ATOM 10 C SER A 2 -5.471 -17.361 2.390 1.00 0.00 C ATOM 11 O SER A 2 -4.818 -18.348 2.055 1.00 0.00 O ATOM 12 CB SER A 2 -7.187 -18.184 4.015 1.00 0.00 C ATOM 13 OG SER A 2 -6.586 -19.467 4.014 1.00 0.00 O ATOM 0 H SER A 2 -7.316 -19.133 1.452 1.00 0.00 H new ATOM 0 HA SER A 2 -7.380 -16.464 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.771 -17.585 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.256 -18.280 4.206 1.00 0.00 H new ATOM 0 HG SER A 2 -5.766 -19.444 3.478 1.00 0.00 H new ATOM 19 N SER A 3 -4.937 -16.151 2.523 1.00 0.00 N ATOM 20 CA SER A 3 -3.521 -15.909 2.273 1.00 0.00 C ATOM 21 C SER A 3 -3.121 -14.507 2.724 1.00 0.00 C ATOM 22 O SER A 3 -3.894 -13.559 2.598 1.00 0.00 O ATOM 23 CB SER A 3 -3.206 -16.087 0.787 1.00 0.00 C ATOM 24 OG SER A 3 -1.812 -16.218 0.572 1.00 0.00 O ATOM 0 H SER A 3 -5.464 -15.323 2.802 1.00 0.00 H new ATOM 0 HA SER A 3 -2.947 -16.635 2.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.720 -16.970 0.407 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.584 -15.232 0.227 1.00 0.00 H new ATOM 0 HG SER A 3 -1.638 -16.332 -0.386 1.00 0.00 H new ATOM 30 N GLY A 4 -1.906 -14.386 3.252 1.00 0.00 N ATOM 31 CA GLY A 4 -1.423 -13.098 3.714 1.00 0.00 C ATOM 32 C GLY A 4 -0.210 -12.623 2.941 1.00 0.00 C ATOM 33 O GLY A 4 0.037 -13.071 1.821 1.00 0.00 O ATOM 0 H GLY A 4 -1.248 -15.157 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.220 -12.360 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.172 -13.166 4.772 1.00 0.00 H new ATOM 37 N SER A 5 0.550 -11.710 3.539 1.00 0.00 N ATOM 38 CA SER A 5 1.741 -11.168 2.897 1.00 0.00 C ATOM 39 C SER A 5 2.913 -11.124 3.874 1.00 0.00 C ATOM 40 O SER A 5 3.218 -10.080 4.448 1.00 0.00 O ATOM 41 CB SER A 5 1.463 -9.764 2.356 1.00 0.00 C ATOM 42 OG SER A 5 2.505 -9.331 1.499 1.00 0.00 O ATOM 0 H SER A 5 0.361 -11.331 4.467 1.00 0.00 H new ATOM 0 HA SER A 5 2.005 -11.824 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.517 -9.761 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.357 -9.066 3.186 1.00 0.00 H new ATOM 0 HG SER A 5 2.302 -8.432 1.166 1.00 0.00 H new ATOM 48 N SER A 6 3.565 -12.268 4.057 1.00 0.00 N ATOM 49 CA SER A 6 4.700 -12.363 4.967 1.00 0.00 C ATOM 50 C SER A 6 5.369 -13.730 4.861 1.00 0.00 C ATOM 51 O SER A 6 4.697 -14.756 4.761 1.00 0.00 O ATOM 52 CB SER A 6 4.249 -12.114 6.407 1.00 0.00 C ATOM 53 OG SER A 6 3.327 -13.104 6.831 1.00 0.00 O ATOM 0 H SER A 6 3.327 -13.141 3.587 1.00 0.00 H new ATOM 0 HA SER A 6 5.425 -11.600 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.116 -12.113 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.789 -11.128 6.482 1.00 0.00 H new ATOM 0 HG SER A 6 3.055 -12.924 7.755 1.00 0.00 H new ATOM 59 N GLY A 7 6.698 -13.736 4.883 1.00 0.00 N ATOM 60 CA GLY A 7 7.437 -14.982 4.788 1.00 0.00 C ATOM 61 C GLY A 7 8.893 -14.767 4.423 1.00 0.00 C ATOM 62 O GLY A 7 9.436 -13.671 4.567 1.00 0.00 O ATOM 0 H GLY A 7 7.277 -12.900 4.965 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.378 -15.509 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.969 -15.622 4.040 1.00 0.00 H new ATOM 66 N PRO A 8 9.549 -15.832 3.942 1.00 0.00 N ATOM 67 CA PRO A 8 10.960 -15.780 3.547 1.00 0.00 C ATOM 68 C PRO A 8 11.180 -14.951 2.286 1.00 0.00 C ATOM 69 O PRO A 8 11.279 -15.492 1.184 1.00 0.00 O ATOM 70 CB PRO A 8 11.311 -17.248 3.289 1.00 0.00 C ATOM 71 CG PRO A 8 10.013 -17.893 2.943 1.00 0.00 C ATOM 72 CD PRO A 8 8.965 -17.169 3.743 1.00 0.00 C ATOM 0 HA PRO A 8 11.579 -15.307 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.031 -17.346 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.760 -17.708 4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.811 -17.816 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.027 -18.955 3.189 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.016 -17.117 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.769 -17.667 4.693 1.00 0.00 H new ATOM 80 N LEU A 9 11.255 -13.635 2.454 1.00 0.00 N ATOM 81 CA LEU A 9 11.464 -12.731 1.329 1.00 0.00 C ATOM 82 C LEU A 9 10.776 -13.257 0.073 1.00 0.00 C ATOM 83 O LEU A 9 11.382 -13.380 -0.991 1.00 0.00 O ATOM 84 CB LEU A 9 12.960 -12.548 1.067 1.00 0.00 C ATOM 85 CG LEU A 9 13.401 -11.147 0.642 1.00 0.00 C ATOM 86 CD1 LEU A 9 14.914 -11.019 0.715 1.00 0.00 C ATOM 87 CD2 LEU A 9 12.903 -10.834 -0.761 1.00 0.00 C ATOM 0 H LEU A 9 11.174 -13.171 3.359 1.00 0.00 H new ATOM 0 HA LEU A 9 11.026 -11.766 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.503 -12.819 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.262 -13.253 0.292 1.00 0.00 H new ATOM 0 HG LEU A 9 12.963 -10.424 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.209 -10.015 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 9 15.245 -11.199 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.374 -11.751 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.226 -9.833 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.311 -11.561 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.814 -10.883 -0.780 1.00 0.00 H new ATOM 99 N PRO A 10 9.477 -13.572 0.197 1.00 0.00 N ATOM 100 CA PRO A 10 8.678 -14.086 -0.918 1.00 0.00 C ATOM 101 C PRO A 10 8.419 -13.026 -1.984 1.00 0.00 C ATOM 102 O PRO A 10 8.822 -11.872 -1.835 1.00 0.00 O ATOM 103 CB PRO A 10 7.366 -14.505 -0.251 1.00 0.00 C ATOM 104 CG PRO A 10 7.276 -13.658 0.971 1.00 0.00 C ATOM 105 CD PRO A 10 8.691 -13.450 1.436 1.00 0.00 C ATOM 0 HA PRO A 10 9.184 -14.897 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.515 -14.339 -0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.371 -15.565 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.794 -12.706 0.751 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.680 -14.147 1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.822 -12.473 1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.985 -14.196 2.174 1.00 0.00 H new ATOM 113 N ILE A 11 7.746 -13.425 -3.057 1.00 0.00 N ATOM 114 CA ILE A 11 7.433 -12.508 -4.147 1.00 0.00 C ATOM 115 C ILE A 11 6.443 -11.439 -3.698 1.00 0.00 C ATOM 116 O ILE A 11 5.591 -11.667 -2.839 1.00 0.00 O ATOM 117 CB ILE A 11 6.850 -13.255 -5.361 1.00 0.00 C ATOM 118 CG1 ILE A 11 5.551 -13.964 -4.975 1.00 0.00 C ATOM 119 CG2 ILE A 11 7.863 -14.251 -5.907 1.00 0.00 C ATOM 120 CD1 ILE A 11 4.333 -13.068 -5.033 1.00 0.00 C ATOM 0 H ILE A 11 7.407 -14.377 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 11 8.370 -12.033 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 11 6.627 -12.529 -6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.399 -14.814 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.651 -14.363 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.436 -14.771 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.764 -13.721 -6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.115 -14.975 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.449 -13.637 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.464 -12.231 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.208 -12.689 -6.047 1.00 0.00 H new ATOM 132 N PRO A 12 6.554 -10.242 -4.293 1.00 0.00 N ATOM 133 CA PRO A 12 5.675 -9.114 -3.973 1.00 0.00 C ATOM 134 C PRO A 12 4.248 -9.334 -4.461 1.00 0.00 C ATOM 135 O PRO A 12 4.007 -9.998 -5.469 1.00 0.00 O ATOM 136 CB PRO A 12 6.320 -7.940 -4.714 1.00 0.00 C ATOM 137 CG PRO A 12 7.069 -8.568 -5.839 1.00 0.00 C ATOM 138 CD PRO A 12 7.546 -9.899 -5.326 1.00 0.00 C ATOM 0 HA PRO A 12 5.586 -8.959 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.568 -7.242 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.986 -7.377 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.429 -8.693 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.909 -7.944 -6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.577 -10.647 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.552 -9.833 -4.911 1.00 0.00 H new ATOM 146 N PRO A 13 3.278 -8.764 -3.732 1.00 0.00 N ATOM 147 CA PRO A 13 1.857 -8.883 -4.073 1.00 0.00 C ATOM 148 C PRO A 13 1.497 -8.109 -5.337 1.00 0.00 C ATOM 149 O PRO A 13 2.107 -7.090 -5.665 1.00 0.00 O ATOM 150 CB PRO A 13 1.148 -8.280 -2.857 1.00 0.00 C ATOM 151 CG PRO A 13 2.143 -7.344 -2.264 1.00 0.00 C ATOM 152 CD PRO A 13 3.492 -7.957 -2.518 1.00 0.00 C ATOM 0 HA PRO A 13 1.573 -9.915 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.237 -7.757 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.858 -9.052 -2.145 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.071 -6.357 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.968 -7.214 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.257 -7.196 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.818 -8.572 -1.679 1.00 0.00 H new ATOM 160 N PRO A 14 0.483 -8.600 -6.064 1.00 0.00 N ATOM 161 CA PRO A 14 0.018 -7.968 -7.304 1.00 0.00 C ATOM 162 C PRO A 14 -0.679 -6.637 -7.049 1.00 0.00 C ATOM 163 O PRO A 14 -1.027 -6.296 -5.918 1.00 0.00 O ATOM 164 CB PRO A 14 -0.968 -8.990 -7.873 1.00 0.00 C ATOM 165 CG PRO A 14 -1.449 -9.755 -6.689 1.00 0.00 C ATOM 166 CD PRO A 14 -0.289 -9.809 -5.734 1.00 0.00 C ATOM 0 HA PRO A 14 0.842 -7.731 -7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.793 -8.499 -8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.484 -9.645 -8.598 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.309 -9.266 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.767 -10.758 -6.975 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.623 -9.802 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.303 -10.714 -5.872 1.00 0.00 H new ATOM 174 N PRO A 15 -0.892 -5.864 -8.125 1.00 0.00 N ATOM 175 CA PRO A 15 -1.552 -4.558 -8.043 1.00 0.00 C ATOM 176 C PRO A 15 -3.036 -4.677 -7.714 1.00 0.00 C ATOM 177 O PRO A 15 -3.840 -5.136 -8.524 1.00 0.00 O ATOM 178 CB PRO A 15 -1.360 -3.975 -9.445 1.00 0.00 C ATOM 179 CG PRO A 15 -1.202 -5.163 -10.331 1.00 0.00 C ATOM 180 CD PRO A 15 -0.505 -6.207 -9.503 1.00 0.00 C ATOM 0 HA PRO A 15 -1.134 -3.940 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.216 -3.370 -9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.483 -3.329 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.171 -5.523 -10.678 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.618 -4.914 -11.217 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.826 -7.213 -9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.576 -6.171 -9.638 1.00 0.00 H new ATOM 188 N PRO A 16 -3.409 -4.255 -6.497 1.00 0.00 N ATOM 189 CA PRO A 16 -4.799 -4.304 -6.033 1.00 0.00 C ATOM 190 C PRO A 16 -5.688 -3.302 -6.762 1.00 0.00 C ATOM 191 O PRO A 16 -5.217 -2.534 -7.601 1.00 0.00 O ATOM 192 CB PRO A 16 -4.690 -3.945 -4.550 1.00 0.00 C ATOM 193 CG PRO A 16 -3.442 -3.141 -4.445 1.00 0.00 C ATOM 194 CD PRO A 16 -2.502 -3.697 -5.479 1.00 0.00 C ATOM 0 HA PRO A 16 -5.257 -5.276 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.557 -3.375 -4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.638 -4.839 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.642 -2.085 -4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.012 -3.217 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.858 -2.922 -5.895 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.849 -4.462 -5.059 1.00 0.00 H new ATOM 202 N ASP A 17 -6.975 -3.314 -6.434 1.00 0.00 N ATOM 203 CA ASP A 17 -7.931 -2.404 -7.056 1.00 0.00 C ATOM 204 C ASP A 17 -8.599 -1.519 -6.009 1.00 0.00 C ATOM 205 O ASP A 17 -9.330 -2.005 -5.146 1.00 0.00 O ATOM 206 CB ASP A 17 -8.991 -3.192 -7.827 1.00 0.00 C ATOM 207 CG ASP A 17 -8.391 -4.312 -8.655 1.00 0.00 C ATOM 208 OD1 ASP A 17 -7.208 -4.198 -9.037 1.00 0.00 O ATOM 209 OD2 ASP A 17 -9.106 -5.300 -8.924 1.00 0.00 O ATOM 0 H ASP A 17 -7.381 -3.943 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.387 -1.765 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.712 -3.610 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.539 -2.514 -8.481 1.00 0.00 H new ATOM 214 N ILE A 18 -8.342 -0.218 -6.090 1.00 0.00 N ATOM 215 CA ILE A 18 -8.918 0.735 -5.149 1.00 0.00 C ATOM 216 C ILE A 18 -10.223 1.316 -5.685 1.00 0.00 C ATOM 217 O ILE A 18 -11.055 1.805 -4.922 1.00 0.00 O ATOM 218 CB ILE A 18 -7.942 1.887 -4.846 1.00 0.00 C ATOM 219 CG1 ILE A 18 -6.496 1.395 -4.931 1.00 0.00 C ATOM 220 CG2 ILE A 18 -8.227 2.475 -3.471 1.00 0.00 C ATOM 221 CD1 ILE A 18 -6.164 0.317 -3.925 1.00 0.00 C ATOM 0 H ILE A 18 -7.738 0.201 -6.798 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.118 0.188 -4.228 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.084 2.670 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.309 1.014 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.824 2.240 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.529 3.288 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.247 2.857 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.109 1.701 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.123 0.017 -4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.318 0.701 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.811 -0.545 -4.088 1.00 0.00 H new ATOM 233 N GLN A 19 -10.394 1.257 -7.001 1.00 0.00 N ATOM 234 CA GLN A 19 -11.598 1.776 -7.638 1.00 0.00 C ATOM 235 C GLN A 19 -12.851 1.209 -6.978 1.00 0.00 C ATOM 236 O GLN A 19 -13.805 1.928 -6.683 1.00 0.00 O ATOM 237 CB GLN A 19 -11.596 1.439 -9.131 1.00 0.00 C ATOM 238 CG GLN A 19 -10.996 2.531 -10.000 1.00 0.00 C ATOM 239 CD GLN A 19 -12.008 3.590 -10.390 1.00 0.00 C ATOM 240 OE1 GLN A 19 -13.064 3.715 -9.768 1.00 0.00 O ATOM 241 NE2 GLN A 19 -11.691 4.361 -11.424 1.00 0.00 N ATOM 0 H GLN A 19 -9.714 0.855 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.605 2.859 -7.517 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.038 0.515 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.620 1.251 -9.454 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.171 3.002 -9.466 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.578 2.084 -10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.805 4.223 -11.911 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.333 5.091 -11.731 1.00 0.00 H new ATOM 250 N PRO A 20 -12.849 -0.111 -6.742 1.00 0.00 N ATOM 251 CA PRO A 20 -13.979 -0.803 -6.114 1.00 0.00 C ATOM 252 C PRO A 20 -14.473 -0.089 -4.861 1.00 0.00 C ATOM 253 O PRO A 20 -15.675 -0.032 -4.599 1.00 0.00 O ATOM 254 CB PRO A 20 -13.400 -2.174 -5.756 1.00 0.00 C ATOM 255 CG PRO A 20 -12.290 -2.382 -6.728 1.00 0.00 C ATOM 256 CD PRO A 20 -11.746 -1.029 -7.068 1.00 0.00 C ATOM 0 HA PRO A 20 -14.846 -0.850 -6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.036 -2.194 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.154 -2.957 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.513 -3.013 -6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.651 -2.888 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.852 -0.801 -6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.469 -0.963 -8.120 1.00 0.00 H new ATOM 264 N LEU A 21 -13.538 0.454 -4.088 1.00 0.00 N ATOM 265 CA LEU A 21 -13.878 1.166 -2.861 1.00 0.00 C ATOM 266 C LEU A 21 -14.144 2.641 -3.143 1.00 0.00 C ATOM 267 O LEU A 21 -15.000 3.259 -2.511 1.00 0.00 O ATOM 268 CB LEU A 21 -12.750 1.025 -1.837 1.00 0.00 C ATOM 269 CG LEU A 21 -12.121 -0.364 -1.719 1.00 0.00 C ATOM 270 CD1 LEU A 21 -10.672 -0.256 -1.269 1.00 0.00 C ATOM 271 CD2 LEU A 21 -12.918 -1.231 -0.756 1.00 0.00 C ATOM 0 H LEU A 21 -12.539 0.415 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.787 0.724 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.965 1.737 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.136 1.311 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.141 -0.836 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.240 -1.254 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.108 0.327 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.628 0.236 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.456 -2.215 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.931 -0.764 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.940 -1.336 -1.121 1.00 0.00 H new ATOM 283 N GLU A 22 -13.403 3.198 -4.097 1.00 0.00 N ATOM 284 CA GLU A 22 -13.560 4.601 -4.463 1.00 0.00 C ATOM 285 C GLU A 22 -14.982 4.883 -4.939 1.00 0.00 C ATOM 286 O GLU A 22 -15.599 5.868 -4.534 1.00 0.00 O ATOM 287 CB GLU A 22 -12.560 4.982 -5.556 1.00 0.00 C ATOM 288 CG GLU A 22 -11.120 5.031 -5.073 1.00 0.00 C ATOM 289 CD GLU A 22 -10.271 6.001 -5.869 1.00 0.00 C ATOM 290 OE1 GLU A 22 -10.835 6.972 -6.417 1.00 0.00 O ATOM 291 OE2 GLU A 22 -9.042 5.792 -5.945 1.00 0.00 O ATOM 0 H GLU A 22 -12.690 2.700 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.365 5.205 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.636 4.264 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.832 5.957 -5.962 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.103 5.317 -4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.684 4.034 -5.139 1.00 0.00 H new ATOM 298 N ARG A 23 -15.495 4.012 -5.801 1.00 0.00 N ATOM 299 CA ARG A 23 -16.843 4.168 -6.334 1.00 0.00 C ATOM 300 C ARG A 23 -17.884 4.046 -5.226 1.00 0.00 C ATOM 301 O ARG A 23 -18.658 4.972 -4.983 1.00 0.00 O ATOM 302 CB ARG A 23 -17.111 3.120 -7.417 1.00 0.00 C ATOM 303 CG ARG A 23 -16.379 3.392 -8.721 1.00 0.00 C ATOM 304 CD ARG A 23 -17.140 4.377 -9.593 1.00 0.00 C ATOM 305 NE ARG A 23 -17.026 5.746 -9.099 1.00 0.00 N ATOM 306 CZ ARG A 23 -17.838 6.731 -9.468 1.00 0.00 C ATOM 307 NH1 ARG A 23 -18.818 6.499 -10.331 1.00 0.00 N ATOM 308 NH2 ARG A 23 -17.670 7.951 -8.975 1.00 0.00 N ATOM 0 H ARG A 23 -14.998 3.191 -6.145 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.919 5.163 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.817 2.139 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.182 3.078 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.386 3.787 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.240 2.457 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.760 4.327 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -18.191 4.091 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.282 5.958 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.950 5.563 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.440 7.257 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.917 8.134 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.294 8.706 -9.259 1.00 0.00 H new ATOM 322 N TYR A 24 -17.897 2.898 -4.557 1.00 0.00 N ATOM 323 CA TYR A 24 -18.844 2.654 -3.476 1.00 0.00 C ATOM 324 C TYR A 24 -18.861 3.820 -2.492 1.00 0.00 C ATOM 325 O TYR A 24 -19.890 4.120 -1.886 1.00 0.00 O ATOM 326 CB TYR A 24 -18.490 1.359 -2.742 1.00 0.00 C ATOM 327 CG TYR A 24 -19.617 0.818 -1.892 1.00 0.00 C ATOM 328 CD1 TYR A 24 -20.660 0.098 -2.463 1.00 0.00 C ATOM 329 CD2 TYR A 24 -19.639 1.024 -0.518 1.00 0.00 C ATOM 330 CE1 TYR A 24 -21.691 -0.398 -1.691 1.00 0.00 C ATOM 331 CE2 TYR A 24 -20.666 0.530 0.262 1.00 0.00 C ATOM 332 CZ TYR A 24 -21.690 -0.180 -0.328 1.00 0.00 C ATOM 333 OH TYR A 24 -22.716 -0.674 0.445 1.00 0.00 O ATOM 0 H TYR A 24 -17.262 2.122 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 24 -19.838 2.557 -3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.203 0.604 -3.473 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -17.621 1.536 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.664 -0.076 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.839 1.580 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -22.495 -0.954 -2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -20.667 0.699 1.329 1.00 0.00 H new ATOM 0 HH TYR A 24 -22.982 -1.556 0.111 1.00 0.00 H new ATOM 343 N TRP A 25 -17.715 4.475 -2.342 1.00 0.00 N ATOM 344 CA TRP A 25 -17.598 5.609 -1.432 1.00 0.00 C ATOM 345 C TRP A 25 -18.200 6.867 -2.051 1.00 0.00 C ATOM 346 O TRP A 25 -19.033 7.533 -1.437 1.00 0.00 O ATOM 347 CB TRP A 25 -16.131 5.854 -1.077 1.00 0.00 C ATOM 348 CG TRP A 25 -15.930 7.012 -0.146 1.00 0.00 C ATOM 349 CD1 TRP A 25 -15.346 8.210 -0.442 1.00 0.00 C ATOM 350 CD2 TRP A 25 -16.312 7.079 1.232 1.00 0.00 C ATOM 351 NE1 TRP A 25 -15.342 9.018 0.670 1.00 0.00 N ATOM 352 CE2 TRP A 25 -15.930 8.348 1.709 1.00 0.00 C ATOM 353 CE3 TRP A 25 -16.941 6.192 2.110 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -16.156 8.748 3.023 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -17.165 6.591 3.414 1.00 0.00 C ATOM 356 CH2 TRP A 25 -16.773 7.859 3.860 1.00 0.00 C ATOM 0 H TRP A 25 -16.855 4.241 -2.838 1.00 0.00 H new ATOM 0 HA TRP A 25 -18.151 5.373 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -15.720 4.954 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.568 6.032 -1.993 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -14.946 8.483 -1.407 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -14.962 9.964 0.714 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -17.247 5.212 1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.855 9.726 3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.651 5.913 4.101 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -16.962 8.141 4.885 1.00 0.00 H new ATOM 367 N ALA A 26 -17.773 7.185 -3.268 1.00 0.00 N ATOM 368 CA ALA A 26 -18.272 8.362 -3.969 1.00 0.00 C ATOM 369 C ALA A 26 -19.756 8.220 -4.291 1.00 0.00 C ATOM 370 O ALA A 26 -20.437 9.207 -4.568 1.00 0.00 O ATOM 371 CB ALA A 26 -17.474 8.595 -5.243 1.00 0.00 C ATOM 0 H ALA A 26 -17.083 6.644 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.149 9.224 -3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.857 9.477 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.425 8.749 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.568 7.726 -5.895 1.00 0.00 H new ATOM 377 N ALA A 27 -20.251 6.988 -4.251 1.00 0.00 N ATOM 378 CA ALA A 27 -21.654 6.718 -4.538 1.00 0.00 C ATOM 379 C ALA A 27 -22.472 6.639 -3.252 1.00 0.00 C ATOM 380 O ALA A 27 -23.469 7.345 -3.095 1.00 0.00 O ATOM 381 CB ALA A 27 -21.792 5.428 -5.333 1.00 0.00 C ATOM 0 H ALA A 27 -19.701 6.160 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.042 7.543 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.845 5.239 -5.540 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -21.248 5.520 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -21.381 4.599 -4.756 1.00 0.00 H new ATOM 387 N HIS A 28 -22.042 5.779 -2.335 1.00 0.00 N ATOM 388 CA HIS A 28 -22.735 5.608 -1.063 1.00 0.00 C ATOM 389 C HIS A 28 -22.118 6.495 0.014 1.00 0.00 C ATOM 390 O HIS A 28 -22.830 7.159 0.767 1.00 0.00 O ATOM 391 CB HIS A 28 -22.687 4.145 -0.624 1.00 0.00 C ATOM 392 CG HIS A 28 -23.177 3.189 -1.669 1.00 0.00 C ATOM 393 ND1 HIS A 28 -24.338 2.458 -1.535 1.00 0.00 N ATOM 394 CD2 HIS A 28 -22.656 2.850 -2.871 1.00 0.00 C ATOM 395 CE1 HIS A 28 -24.509 1.707 -2.608 1.00 0.00 C ATOM 396 NE2 HIS A 28 -23.503 1.927 -3.435 1.00 0.00 N ATOM 0 H HIS A 28 -21.217 5.190 -2.449 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.775 5.903 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.661 3.887 -0.360 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.288 4.025 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.745 3.233 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.331 1.028 -2.780 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.376 1.484 -4.345 1.00 0.00 H new ATOM 405 N GLN A 29 -20.790 6.500 0.081 1.00 0.00 N ATOM 406 CA GLN A 29 -20.079 7.304 1.067 1.00 0.00 C ATOM 407 C GLN A 29 -20.191 6.686 2.457 1.00 0.00 C ATOM 408 O GLN A 29 -20.255 7.398 3.460 1.00 0.00 O ATOM 409 CB GLN A 29 -20.629 8.732 1.085 1.00 0.00 C ATOM 410 CG GLN A 29 -19.600 9.774 1.490 1.00 0.00 C ATOM 411 CD GLN A 29 -18.801 10.295 0.313 1.00 0.00 C ATOM 412 OE1 GLN A 29 -17.570 10.280 0.327 1.00 0.00 O ATOM 413 NE2 GLN A 29 -19.499 10.760 -0.717 1.00 0.00 N ATOM 0 H GLN A 29 -20.186 5.957 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.026 7.331 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.012 8.978 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.472 8.779 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.105 10.607 1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.919 9.341 2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.519 10.754 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.015 11.123 -1.538 1.00 0.00 H new ATOM 422 N GLN A 30 -20.215 5.358 2.508 1.00 0.00 N ATOM 423 CA GLN A 30 -20.321 4.645 3.776 1.00 0.00 C ATOM 424 C GLN A 30 -19.987 3.168 3.600 1.00 0.00 C ATOM 425 O GLN A 30 -20.416 2.535 2.634 1.00 0.00 O ATOM 426 CB GLN A 30 -21.729 4.796 4.355 1.00 0.00 C ATOM 427 CG GLN A 30 -22.807 4.137 3.511 1.00 0.00 C ATOM 428 CD GLN A 30 -24.189 4.268 4.121 1.00 0.00 C ATOM 429 OE1 GLN A 30 -24.338 4.318 5.342 1.00 0.00 O ATOM 430 NE2 GLN A 30 -25.209 4.325 3.272 1.00 0.00 N ATOM 0 H GLN A 30 -20.163 4.755 1.687 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.602 5.081 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -21.749 4.366 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -21.958 5.857 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.809 4.585 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -22.569 3.081 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -25.039 4.280 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -26.162 4.414 3.625 1.00 0.00 H new ATOM 439 N LEU A 31 -19.219 2.624 4.537 1.00 0.00 N ATOM 440 CA LEU A 31 -18.826 1.220 4.485 1.00 0.00 C ATOM 441 C LEU A 31 -19.869 0.337 5.163 1.00 0.00 C ATOM 442 O LEU A 31 -20.476 0.729 6.159 1.00 0.00 O ATOM 443 CB LEU A 31 -17.464 1.026 5.154 1.00 0.00 C ATOM 444 CG LEU A 31 -16.921 -0.403 5.167 1.00 0.00 C ATOM 445 CD1 LEU A 31 -16.540 -0.842 3.762 1.00 0.00 C ATOM 446 CD2 LEU A 31 -15.726 -0.512 6.103 1.00 0.00 C ATOM 0 H LEU A 31 -18.856 3.134 5.342 1.00 0.00 H new ATOM 0 HA LEU A 31 -18.754 0.927 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -16.739 1.664 4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.534 1.376 6.184 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.706 -1.065 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.156 -1.862 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.419 -0.804 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.772 -0.176 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.353 -1.536 6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.938 0.162 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.030 -0.240 7.114 1.00 0.00 H new ATOM 458 N ARG A 32 -20.071 -0.857 4.616 1.00 0.00 N ATOM 459 CA ARG A 32 -21.040 -1.796 5.168 1.00 0.00 C ATOM 460 C ARG A 32 -20.411 -3.172 5.368 1.00 0.00 C ATOM 461 O ARG A 32 -19.742 -3.694 4.476 1.00 0.00 O ATOM 462 CB ARG A 32 -22.256 -1.907 4.247 1.00 0.00 C ATOM 463 CG ARG A 32 -22.855 -0.565 3.864 1.00 0.00 C ATOM 464 CD ARG A 32 -23.702 0.009 4.989 1.00 0.00 C ATOM 465 NE ARG A 32 -25.052 -0.548 4.997 1.00 0.00 N ATOM 466 CZ ARG A 32 -25.943 -0.329 4.037 1.00 0.00 C ATOM 467 NH1 ARG A 32 -25.628 0.430 2.996 1.00 0.00 N ATOM 468 NH2 ARG A 32 -27.152 -0.870 4.114 1.00 0.00 N ATOM 0 H ARG A 32 -19.577 -1.197 3.791 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.362 -1.419 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.967 -2.438 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.020 -2.509 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.056 0.134 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -23.467 -0.680 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.220 -0.194 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.758 1.093 4.884 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.326 -1.138 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -24.699 0.847 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -26.314 0.597 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.399 -1.456 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -27.835 -0.700 3.375 1.00 0.00 H new ATOM 482 N GLU A 33 -20.631 -3.753 6.543 1.00 0.00 N ATOM 483 CA GLU A 33 -20.085 -5.067 6.858 1.00 0.00 C ATOM 484 C GLU A 33 -20.382 -6.063 5.741 1.00 0.00 C ATOM 485 O GLU A 33 -19.738 -7.108 5.636 1.00 0.00 O ATOM 486 CB GLU A 33 -20.662 -5.581 8.179 1.00 0.00 C ATOM 487 CG GLU A 33 -20.161 -4.823 9.397 1.00 0.00 C ATOM 488 CD GLU A 33 -20.736 -5.358 10.695 1.00 0.00 C ATOM 489 OE1 GLU A 33 -21.976 -5.351 10.843 1.00 0.00 O ATOM 490 OE2 GLU A 33 -19.945 -5.785 11.562 1.00 0.00 O ATOM 0 H GLU A 33 -21.183 -3.335 7.292 1.00 0.00 H new ATOM 0 HA GLU A 33 -19.004 -4.968 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.749 -5.514 8.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.411 -6.636 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.073 -4.882 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.420 -3.769 9.296 1.00 0.00 H new ATOM 497 N THR A 34 -21.362 -5.732 4.906 1.00 0.00 N ATOM 498 CA THR A 34 -21.746 -6.596 3.797 1.00 0.00 C ATOM 499 C THR A 34 -20.884 -6.329 2.568 1.00 0.00 C ATOM 500 O THR A 34 -20.625 -7.232 1.772 1.00 0.00 O ATOM 501 CB THR A 34 -23.228 -6.403 3.421 1.00 0.00 C ATOM 502 OG1 THR A 34 -23.605 -7.348 2.414 1.00 0.00 O ATOM 503 CG2 THR A 34 -23.478 -4.990 2.917 1.00 0.00 C ATOM 0 H THR A 34 -21.904 -4.871 4.977 1.00 0.00 H new ATOM 0 HA THR A 34 -21.593 -7.623 4.129 1.00 0.00 H new ATOM 0 HB THR A 34 -23.831 -6.565 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.548 -7.220 2.182 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.531 -4.877 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.218 -4.274 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 34 -22.865 -4.805 2.035 1.00 0.00 H new ATOM 511 N ASP A 35 -20.441 -5.086 2.420 1.00 0.00 N ATOM 512 CA ASP A 35 -19.604 -4.702 1.288 1.00 0.00 C ATOM 513 C ASP A 35 -18.126 -4.765 1.659 1.00 0.00 C ATOM 514 O ASP A 35 -17.255 -4.609 0.802 1.00 0.00 O ATOM 515 CB ASP A 35 -19.965 -3.292 0.817 1.00 0.00 C ATOM 516 CG ASP A 35 -21.186 -3.277 -0.083 1.00 0.00 C ATOM 517 OD1 ASP A 35 -22.314 -3.349 0.448 1.00 0.00 O ATOM 518 OD2 ASP A 35 -21.014 -3.194 -1.316 1.00 0.00 O ATOM 0 H ASP A 35 -20.647 -4.327 3.069 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.786 -5.406 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.149 -2.658 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.118 -2.863 0.282 1.00 0.00 H new ATOM 523 N ILE A 36 -17.852 -4.994 2.938 1.00 0.00 N ATOM 524 CA ILE A 36 -16.479 -5.077 3.421 1.00 0.00 C ATOM 525 C ILE A 36 -15.744 -6.254 2.788 1.00 0.00 C ATOM 526 O ILE A 36 -14.718 -6.095 2.128 1.00 0.00 O ATOM 527 CB ILE A 36 -16.429 -5.220 4.954 1.00 0.00 C ATOM 528 CG1 ILE A 36 -16.345 -3.842 5.613 1.00 0.00 C ATOM 529 CG2 ILE A 36 -15.245 -6.083 5.367 1.00 0.00 C ATOM 530 CD1 ILE A 36 -16.384 -3.892 7.125 1.00 0.00 C ATOM 0 H ILE A 36 -18.562 -5.125 3.659 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.987 -4.147 3.135 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.344 -5.708 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.424 -3.353 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.171 -3.227 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.223 -6.175 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.343 -7.073 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.320 -5.620 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.320 -2.880 7.524 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.317 -4.352 7.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.543 -4.480 7.491 1.00 0.00 H new ATOM 542 N PRO A 37 -16.283 -7.467 2.991 1.00 0.00 N ATOM 543 CA PRO A 37 -15.696 -8.694 2.446 1.00 0.00 C ATOM 544 C PRO A 37 -15.834 -8.779 0.930 1.00 0.00 C ATOM 545 O PRO A 37 -14.951 -9.298 0.247 1.00 0.00 O ATOM 546 CB PRO A 37 -16.507 -9.804 3.120 1.00 0.00 C ATOM 547 CG PRO A 37 -17.813 -9.169 3.455 1.00 0.00 C ATOM 548 CD PRO A 37 -17.505 -7.731 3.767 1.00 0.00 C ATOM 0 HA PRO A 37 -14.625 -8.753 2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.641 -10.657 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.005 -10.173 4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.510 -9.247 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.280 -9.662 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -18.320 -7.072 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.344 -7.577 4.834 1.00 0.00 H new ATOM 556 N GLN A 38 -16.945 -8.267 0.411 1.00 0.00 N ATOM 557 CA GLN A 38 -17.197 -8.286 -1.025 1.00 0.00 C ATOM 558 C GLN A 38 -16.234 -7.357 -1.758 1.00 0.00 C ATOM 559 O GLN A 38 -15.659 -7.724 -2.782 1.00 0.00 O ATOM 560 CB GLN A 38 -18.641 -7.877 -1.316 1.00 0.00 C ATOM 561 CG GLN A 38 -18.947 -7.735 -2.799 1.00 0.00 C ATOM 562 CD GLN A 38 -18.896 -9.060 -3.535 1.00 0.00 C ATOM 563 OE1 GLN A 38 -19.399 -10.072 -3.048 1.00 0.00 O ATOM 564 NE2 GLN A 38 -18.285 -9.059 -4.714 1.00 0.00 N ATOM 0 H GLN A 38 -17.685 -7.834 0.963 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.036 -9.303 -1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.314 -8.618 -0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -18.849 -6.930 -0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -19.936 -7.294 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.232 -7.046 -3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -17.882 -8.196 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -18.219 -9.921 -5.255 1.00 0.00 H new ATOM 573 N LEU A 39 -16.065 -6.150 -1.228 1.00 0.00 N ATOM 574 CA LEU A 39 -15.173 -5.167 -1.832 1.00 0.00 C ATOM 575 C LEU A 39 -13.715 -5.575 -1.657 1.00 0.00 C ATOM 576 O LEU A 39 -12.911 -5.458 -2.582 1.00 0.00 O ATOM 577 CB LEU A 39 -15.408 -3.788 -1.212 1.00 0.00 C ATOM 578 CG LEU A 39 -16.756 -3.135 -1.519 1.00 0.00 C ATOM 579 CD1 LEU A 39 -17.030 -1.997 -0.549 1.00 0.00 C ATOM 580 CD2 LEU A 39 -16.791 -2.633 -2.955 1.00 0.00 C ATOM 0 H LEU A 39 -16.534 -5.829 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.392 -5.121 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.308 -3.876 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.617 -3.119 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.537 -3.885 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.993 -1.544 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.048 -2.384 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.245 -1.246 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.758 -2.171 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.000 -1.898 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.640 -3.470 -3.637 1.00 0.00 H new ATOM 592 N SER A 40 -13.379 -6.056 -0.464 1.00 0.00 N ATOM 593 CA SER A 40 -12.016 -6.481 -0.166 1.00 0.00 C ATOM 594 C SER A 40 -11.538 -7.519 -1.176 1.00 0.00 C ATOM 595 O SER A 40 -10.373 -7.524 -1.572 1.00 0.00 O ATOM 596 CB SER A 40 -11.936 -7.055 1.249 1.00 0.00 C ATOM 597 OG SER A 40 -10.590 -7.177 1.675 1.00 0.00 O ATOM 0 H SER A 40 -14.032 -6.161 0.312 1.00 0.00 H new ATOM 0 HA SER A 40 -11.367 -5.608 -0.233 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.482 -6.410 1.938 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.419 -8.032 1.276 1.00 0.00 H new ATOM 0 HG SER A 40 -10.113 -7.792 1.080 1.00 0.00 H new ATOM 603 N GLN A 41 -12.447 -8.396 -1.590 1.00 0.00 N ATOM 604 CA GLN A 41 -12.118 -9.441 -2.553 1.00 0.00 C ATOM 605 C GLN A 41 -11.742 -8.836 -3.903 1.00 0.00 C ATOM 606 O GLN A 41 -10.892 -9.368 -4.616 1.00 0.00 O ATOM 607 CB GLN A 41 -13.298 -10.399 -2.720 1.00 0.00 C ATOM 608 CG GLN A 41 -13.291 -11.551 -1.728 1.00 0.00 C ATOM 609 CD GLN A 41 -11.979 -12.310 -1.724 1.00 0.00 C ATOM 610 OE1 GLN A 41 -11.319 -12.437 -2.756 1.00 0.00 O ATOM 611 NE2 GLN A 41 -11.594 -12.821 -0.561 1.00 0.00 N ATOM 0 H GLN A 41 -13.417 -8.404 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.261 -9.996 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.227 -9.840 -2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.287 -10.802 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.486 -11.165 -0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.103 -12.238 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.172 -12.692 0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.720 -13.343 -0.498 1.00 0.00 H new ATOM 620 N ALA A 42 -12.383 -7.724 -4.247 1.00 0.00 N ATOM 621 CA ALA A 42 -12.115 -7.048 -5.510 1.00 0.00 C ATOM 622 C ALA A 42 -10.813 -6.256 -5.444 1.00 0.00 C ATOM 623 O ALA A 42 -10.035 -6.244 -6.396 1.00 0.00 O ATOM 624 CB ALA A 42 -13.274 -6.132 -5.874 1.00 0.00 C ATOM 0 H ALA A 42 -13.091 -7.272 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.009 -7.807 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.061 -5.633 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.186 -6.721 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.407 -5.385 -5.092 1.00 0.00 H new ATOM 630 N SER A 43 -10.584 -5.598 -4.312 1.00 0.00 N ATOM 631 CA SER A 43 -9.378 -4.799 -4.123 1.00 0.00 C ATOM 632 C SER A 43 -8.165 -5.695 -3.895 1.00 0.00 C ATOM 633 O SER A 43 -7.030 -5.221 -3.843 1.00 0.00 O ATOM 634 CB SER A 43 -9.552 -3.846 -2.940 1.00 0.00 C ATOM 635 OG SER A 43 -9.530 -4.549 -1.711 1.00 0.00 O ATOM 0 H SER A 43 -11.217 -5.602 -3.512 1.00 0.00 H new ATOM 0 HA SER A 43 -9.212 -4.215 -5.028 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.757 -3.100 -2.950 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.495 -3.308 -3.038 1.00 0.00 H new ATOM 0 HG SER A 43 -9.873 -5.457 -1.847 1.00 0.00 H new ATOM 641 N ARG A 44 -8.413 -6.994 -3.758 1.00 0.00 N ATOM 642 CA ARG A 44 -7.341 -7.957 -3.534 1.00 0.00 C ATOM 643 C ARG A 44 -6.638 -7.689 -2.206 1.00 0.00 C ATOM 644 O ARG A 44 -5.457 -7.997 -2.044 1.00 0.00 O ATOM 645 CB ARG A 44 -6.328 -7.902 -4.679 1.00 0.00 C ATOM 646 CG ARG A 44 -6.956 -7.615 -6.034 1.00 0.00 C ATOM 647 CD ARG A 44 -7.622 -8.854 -6.613 1.00 0.00 C ATOM 648 NE ARG A 44 -7.954 -8.687 -8.025 1.00 0.00 N ATOM 649 CZ ARG A 44 -8.211 -9.701 -8.844 1.00 0.00 C ATOM 650 NH1 ARG A 44 -8.175 -10.947 -8.393 1.00 0.00 N ATOM 651 NH2 ARG A 44 -8.506 -9.470 -10.117 1.00 0.00 N ATOM 0 H ARG A 44 -9.346 -7.403 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.784 -8.952 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.587 -7.133 -4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.796 -8.852 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.693 -6.818 -5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.191 -7.257 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.958 -9.711 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.529 -9.074 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.991 -7.740 -8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.950 -11.129 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.373 -11.724 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.536 -8.513 -10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.703 -10.250 -10.744 1.00 0.00 H new ATOM 665 N LEU A 45 -7.373 -7.114 -1.260 1.00 0.00 N ATOM 666 CA LEU A 45 -6.820 -6.804 0.054 1.00 0.00 C ATOM 667 C LEU A 45 -7.505 -7.628 1.141 1.00 0.00 C ATOM 668 O LEU A 45 -8.423 -8.398 0.863 1.00 0.00 O ATOM 669 CB LEU A 45 -6.976 -5.313 0.355 1.00 0.00 C ATOM 670 CG LEU A 45 -6.496 -4.354 -0.735 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.953 -2.935 -0.437 1.00 0.00 C ATOM 672 CD2 LEU A 45 -4.982 -4.412 -0.869 1.00 0.00 C ATOM 0 H LEU A 45 -8.352 -6.853 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.760 -7.058 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.029 -5.111 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.432 -5.089 1.273 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.936 -4.664 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.602 -2.267 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.042 -2.905 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.543 -2.614 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.659 -3.723 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.522 -4.129 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.679 -5.425 -1.132 1.00 0.00 H new ATOM 684 N SER A 46 -7.052 -7.458 2.379 1.00 0.00 N ATOM 685 CA SER A 46 -7.619 -8.186 3.507 1.00 0.00 C ATOM 686 C SER A 46 -8.739 -7.386 4.163 1.00 0.00 C ATOM 687 O SER A 46 -8.733 -6.154 4.142 1.00 0.00 O ATOM 688 CB SER A 46 -6.531 -8.502 4.536 1.00 0.00 C ATOM 689 OG SER A 46 -5.344 -8.947 3.904 1.00 0.00 O ATOM 0 H SER A 46 -6.294 -6.822 2.626 1.00 0.00 H new ATOM 0 HA SER A 46 -8.036 -9.120 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.319 -7.613 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.889 -9.267 5.225 1.00 0.00 H new ATOM 0 HG SER A 46 -4.665 -9.140 4.583 1.00 0.00 H new ATOM 695 N THR A 47 -9.700 -8.094 4.748 1.00 0.00 N ATOM 696 CA THR A 47 -10.828 -7.450 5.410 1.00 0.00 C ATOM 697 C THR A 47 -10.384 -6.205 6.169 1.00 0.00 C ATOM 698 O THR A 47 -11.045 -5.168 6.120 1.00 0.00 O ATOM 699 CB THR A 47 -11.528 -8.412 6.388 1.00 0.00 C ATOM 700 OG1 THR A 47 -11.513 -9.744 5.862 1.00 0.00 O ATOM 701 CG2 THR A 47 -12.964 -7.977 6.640 1.00 0.00 C ATOM 0 H THR A 47 -9.720 -9.113 4.777 1.00 0.00 H new ATOM 0 HA THR A 47 -11.531 -7.163 4.628 1.00 0.00 H new ATOM 0 HB THR A 47 -10.987 -8.390 7.334 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.959 -10.349 6.491 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.438 -8.671 7.334 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.971 -6.975 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.513 -7.973 5.699 1.00 0.00 H new ATOM 709 N GLN A 48 -9.259 -6.315 6.870 1.00 0.00 N ATOM 710 CA GLN A 48 -8.728 -5.198 7.639 1.00 0.00 C ATOM 711 C GLN A 48 -8.297 -4.059 6.720 1.00 0.00 C ATOM 712 O GLN A 48 -8.605 -2.895 6.973 1.00 0.00 O ATOM 713 CB GLN A 48 -7.542 -5.656 8.492 1.00 0.00 C ATOM 714 CG GLN A 48 -7.002 -4.574 9.414 1.00 0.00 C ATOM 715 CD GLN A 48 -8.102 -3.810 10.123 1.00 0.00 C ATOM 716 OE1 GLN A 48 -8.701 -4.304 11.079 1.00 0.00 O ATOM 717 NE2 GLN A 48 -8.374 -2.596 9.659 1.00 0.00 N ATOM 0 H GLN A 48 -8.699 -7.166 6.920 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.519 -4.833 8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.846 -6.514 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.741 -5.994 7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.344 -5.028 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.396 -3.877 8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.853 -2.225 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.104 -2.034 10.097 1.00 0.00 H new ATOM 726 N GLN A 49 -7.584 -4.404 5.653 1.00 0.00 N ATOM 727 CA GLN A 49 -7.111 -3.411 4.696 1.00 0.00 C ATOM 728 C GLN A 49 -8.232 -2.450 4.310 1.00 0.00 C ATOM 729 O GLN A 49 -8.059 -1.232 4.343 1.00 0.00 O ATOM 730 CB GLN A 49 -6.557 -4.097 3.447 1.00 0.00 C ATOM 731 CG GLN A 49 -5.263 -4.855 3.692 1.00 0.00 C ATOM 732 CD GLN A 49 -4.144 -3.956 4.179 1.00 0.00 C ATOM 733 OE1 GLN A 49 -4.021 -3.691 5.376 1.00 0.00 O ATOM 734 NE2 GLN A 49 -3.320 -3.479 3.252 1.00 0.00 N ATOM 0 H GLN A 49 -7.321 -5.364 5.429 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.313 -2.838 5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.306 -4.789 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.388 -3.346 2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.440 -5.640 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.954 -5.346 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.459 -3.724 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.549 -2.868 3.521 1.00 0.00 H new ATOM 743 N VAL A 50 -9.381 -3.008 3.943 1.00 0.00 N ATOM 744 CA VAL A 50 -10.531 -2.202 3.551 1.00 0.00 C ATOM 745 C VAL A 50 -11.012 -1.332 4.707 1.00 0.00 C ATOM 746 O VAL A 50 -11.276 -0.140 4.534 1.00 0.00 O ATOM 747 CB VAL A 50 -11.696 -3.084 3.068 1.00 0.00 C ATOM 748 CG1 VAL A 50 -12.920 -2.234 2.764 1.00 0.00 C ATOM 749 CG2 VAL A 50 -11.283 -3.892 1.847 1.00 0.00 C ATOM 0 H VAL A 50 -9.540 -4.015 3.909 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.205 -1.563 2.730 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.955 -3.780 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.733 -2.875 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.228 -1.705 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.677 -1.512 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.119 -4.510 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.995 -3.215 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.438 -4.531 2.103 1.00 0.00 H new ATOM 759 N LEU A 51 -11.122 -1.933 5.887 1.00 0.00 N ATOM 760 CA LEU A 51 -11.572 -1.213 7.073 1.00 0.00 C ATOM 761 C LEU A 51 -10.725 0.035 7.306 1.00 0.00 C ATOM 762 O LEU A 51 -11.228 1.063 7.760 1.00 0.00 O ATOM 763 CB LEU A 51 -11.508 -2.122 8.301 1.00 0.00 C ATOM 764 CG LEU A 51 -12.756 -2.961 8.580 1.00 0.00 C ATOM 765 CD1 LEU A 51 -12.444 -4.065 9.579 1.00 0.00 C ATOM 766 CD2 LEU A 51 -13.886 -2.080 9.092 1.00 0.00 C ATOM 0 H LEU A 51 -10.906 -2.917 6.048 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.605 -0.905 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.659 -2.796 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.307 -1.504 9.176 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.077 -3.424 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.343 -4.652 9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.666 -4.712 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.099 -3.623 10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.766 -2.693 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.576 -1.590 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.127 -1.325 8.343 1.00 0.00 H new ATOM 778 N ASP A 52 -9.438 -0.062 6.990 1.00 0.00 N ATOM 779 CA ASP A 52 -8.522 1.058 7.161 1.00 0.00 C ATOM 780 C ASP A 52 -8.685 2.071 6.032 1.00 0.00 C ATOM 781 O ASP A 52 -8.594 3.280 6.250 1.00 0.00 O ATOM 782 CB ASP A 52 -7.077 0.561 7.212 1.00 0.00 C ATOM 783 CG ASP A 52 -6.140 1.566 7.854 1.00 0.00 C ATOM 784 OD1 ASP A 52 -6.606 2.348 8.709 1.00 0.00 O ATOM 785 OD2 ASP A 52 -4.942 1.570 7.501 1.00 0.00 O ATOM 0 H ASP A 52 -9.006 -0.906 6.614 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.762 1.550 8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.038 -0.375 7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.735 0.345 6.200 1.00 0.00 H new ATOM 790 N TRP A 53 -8.925 1.571 4.826 1.00 0.00 N ATOM 791 CA TRP A 53 -9.100 2.432 3.661 1.00 0.00 C ATOM 792 C TRP A 53 -10.229 3.431 3.887 1.00 0.00 C ATOM 793 O TRP A 53 -10.017 4.642 3.840 1.00 0.00 O ATOM 794 CB TRP A 53 -9.387 1.590 2.417 1.00 0.00 C ATOM 795 CG TRP A 53 -9.128 2.318 1.133 1.00 0.00 C ATOM 796 CD1 TRP A 53 -7.954 2.355 0.436 1.00 0.00 C ATOM 797 CD2 TRP A 53 -10.060 3.116 0.397 1.00 0.00 C ATOM 798 NE1 TRP A 53 -8.101 3.128 -0.691 1.00 0.00 N ATOM 799 CE2 TRP A 53 -9.384 3.606 -0.738 1.00 0.00 C ATOM 800 CE3 TRP A 53 -11.401 3.464 0.584 1.00 0.00 C ATOM 801 CZ2 TRP A 53 -10.005 4.424 -1.679 1.00 0.00 C ATOM 802 CZ3 TRP A 53 -12.015 4.275 -0.350 1.00 0.00 C ATOM 803 CH2 TRP A 53 -11.318 4.748 -1.470 1.00 0.00 C ATOM 0 H TRP A 53 -9.003 0.573 4.628 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.175 2.988 3.508 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -8.772 0.690 2.446 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.427 1.266 2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.044 1.851 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.373 3.315 -1.380 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.947 3.105 1.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -9.469 4.789 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -13.051 4.550 -0.215 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.827 5.381 -2.182 1.00 0.00 H new ATOM 814 N PHE A 54 -11.428 2.915 4.133 1.00 0.00 N ATOM 815 CA PHE A 54 -12.592 3.762 4.366 1.00 0.00 C ATOM 816 C PHE A 54 -12.382 4.651 5.587 1.00 0.00 C ATOM 817 O PHE A 54 -12.556 5.869 5.520 1.00 0.00 O ATOM 818 CB PHE A 54 -13.845 2.905 4.554 1.00 0.00 C ATOM 819 CG PHE A 54 -14.396 2.357 3.269 1.00 0.00 C ATOM 820 CD1 PHE A 54 -15.242 3.121 2.481 1.00 0.00 C ATOM 821 CD2 PHE A 54 -14.068 1.078 2.849 1.00 0.00 C ATOM 822 CE1 PHE A 54 -15.750 2.618 1.298 1.00 0.00 C ATOM 823 CE2 PHE A 54 -14.573 0.570 1.666 1.00 0.00 C ATOM 824 CZ PHE A 54 -15.415 1.342 0.890 1.00 0.00 C ATOM 0 H PHE A 54 -11.619 1.914 4.176 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.726 4.400 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.611 2.076 5.222 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.614 3.503 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.507 4.120 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.410 0.470 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.409 3.223 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.309 -0.428 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.811 0.948 -0.035 1.00 0.00 H new ATOM 834 N ASP A 55 -12.007 4.035 6.702 1.00 0.00 N ATOM 835 CA ASP A 55 -11.772 4.769 7.941 1.00 0.00 C ATOM 836 C ASP A 55 -10.829 5.945 7.705 1.00 0.00 C ATOM 837 O ASP A 55 -10.903 6.960 8.396 1.00 0.00 O ATOM 838 CB ASP A 55 -11.190 3.839 9.007 1.00 0.00 C ATOM 839 CG ASP A 55 -11.357 4.392 10.409 1.00 0.00 C ATOM 840 OD1 ASP A 55 -11.457 5.629 10.552 1.00 0.00 O ATOM 841 OD2 ASP A 55 -11.388 3.588 11.363 1.00 0.00 O ATOM 0 H ASP A 55 -11.859 3.028 6.774 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.728 5.157 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.678 2.866 8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.131 3.678 8.806 1.00 0.00 H new ATOM 846 N SER A 56 -9.943 5.799 6.724 1.00 0.00 N ATOM 847 CA SER A 56 -8.983 6.847 6.400 1.00 0.00 C ATOM 848 C SER A 56 -9.632 7.935 5.550 1.00 0.00 C ATOM 849 O SER A 56 -9.311 9.116 5.683 1.00 0.00 O ATOM 850 CB SER A 56 -7.781 6.256 5.660 1.00 0.00 C ATOM 851 OG SER A 56 -6.946 5.527 6.543 1.00 0.00 O ATOM 0 H SER A 56 -9.871 4.965 6.141 1.00 0.00 H new ATOM 0 HA SER A 56 -8.642 7.294 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.128 5.602 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.209 7.057 5.192 1.00 0.00 H new ATOM 0 HG SER A 56 -7.289 4.614 6.639 1.00 0.00 H new ATOM 857 N ARG A 57 -10.549 7.529 4.679 1.00 0.00 N ATOM 858 CA ARG A 57 -11.244 8.468 3.805 1.00 0.00 C ATOM 859 C ARG A 57 -12.033 9.487 4.623 1.00 0.00 C ATOM 860 O ARG A 57 -12.165 10.647 4.229 1.00 0.00 O ATOM 861 CB ARG A 57 -12.183 7.718 2.860 1.00 0.00 C ATOM 862 CG ARG A 57 -11.463 6.802 1.884 1.00 0.00 C ATOM 863 CD ARG A 57 -10.718 7.596 0.822 1.00 0.00 C ATOM 864 NE ARG A 57 -11.607 8.059 -0.240 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.217 8.854 -1.229 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.961 9.273 -1.293 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.086 9.234 -2.158 1.00 0.00 N ATOM 0 H ARG A 57 -10.829 6.556 4.559 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.497 9.000 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.883 7.127 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.773 8.442 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.760 6.170 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.184 6.139 1.406 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.231 8.453 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.931 6.976 0.392 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.580 7.755 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.290 8.985 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.665 9.884 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.054 8.915 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.786 9.845 -2.918 1.00 0.00 H new ATOM 881 N LEU A 58 -12.556 9.047 5.761 1.00 0.00 N ATOM 882 CA LEU A 58 -13.333 9.920 6.635 1.00 0.00 C ATOM 883 C LEU A 58 -12.638 11.266 6.817 1.00 0.00 C ATOM 884 O LEU A 58 -11.419 11.386 6.685 1.00 0.00 O ATOM 885 CB LEU A 58 -13.546 9.256 7.995 1.00 0.00 C ATOM 886 CG LEU A 58 -14.523 8.079 8.023 1.00 0.00 C ATOM 887 CD1 LEU A 58 -14.248 7.185 9.222 1.00 0.00 C ATOM 888 CD2 LEU A 58 -15.959 8.580 8.045 1.00 0.00 C ATOM 0 H LEU A 58 -12.457 8.091 6.101 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.302 10.092 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.580 8.909 8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.900 10.013 8.695 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.379 7.490 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.953 6.353 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.231 6.798 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.363 7.762 10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -16.641 7.730 8.065 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.117 9.193 8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.150 9.177 7.153 1.00 0.00 H new ATOM 900 N PRO A 59 -13.429 12.304 7.128 1.00 0.00 N ATOM 901 CA PRO A 59 -12.911 13.659 7.337 1.00 0.00 C ATOM 902 C PRO A 59 -12.091 13.774 8.617 1.00 0.00 C ATOM 903 O PRO A 59 -12.615 14.138 9.670 1.00 0.00 O ATOM 904 CB PRO A 59 -14.179 14.512 7.436 1.00 0.00 C ATOM 905 CG PRO A 59 -15.235 13.568 7.899 1.00 0.00 C ATOM 906 CD PRO A 59 -14.889 12.233 7.299 1.00 0.00 C ATOM 0 HA PRO A 59 -12.236 13.965 6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -14.048 15.335 8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.436 14.952 6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.259 13.512 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.222 13.897 7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.177 11.411 7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.398 12.076 6.348 1.00 0.00 H new ATOM 914 N GLN A 60 -10.802 13.463 8.519 1.00 0.00 N ATOM 915 CA GLN A 60 -9.909 13.533 9.670 1.00 0.00 C ATOM 916 C GLN A 60 -8.492 13.894 9.240 1.00 0.00 C ATOM 917 O GLN A 60 -8.101 13.705 8.088 1.00 0.00 O ATOM 918 CB GLN A 60 -9.904 12.199 10.419 1.00 0.00 C ATOM 919 CG GLN A 60 -11.034 12.061 11.427 1.00 0.00 C ATOM 920 CD GLN A 60 -10.733 12.757 12.739 1.00 0.00 C ATOM 921 OE1 GLN A 60 -11.430 13.692 13.133 1.00 0.00 O ATOM 922 NE2 GLN A 60 -9.689 12.304 13.424 1.00 0.00 N ATOM 0 H GLN A 60 -10.353 13.160 7.655 1.00 0.00 H new ATOM 0 HA GLN A 60 -10.276 14.314 10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.972 11.386 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -8.951 12.086 10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.948 12.475 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.221 11.004 11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.139 11.526 13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.438 12.734 14.314 1.00 0.00 H new ATOM 931 N PRO A 61 -7.704 14.427 10.185 1.00 0.00 N ATOM 932 CA PRO A 61 -6.318 14.825 9.927 1.00 0.00 C ATOM 933 C PRO A 61 -5.402 13.628 9.700 1.00 0.00 C ATOM 934 O PRO A 61 -5.365 12.702 10.510 1.00 0.00 O ATOM 935 CB PRO A 61 -5.918 15.569 11.203 1.00 0.00 C ATOM 936 CG PRO A 61 -6.806 15.010 12.261 1.00 0.00 C ATOM 937 CD PRO A 61 -8.106 14.680 11.579 1.00 0.00 C ATOM 0 HA PRO A 61 -6.230 15.425 9.021 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.867 15.408 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.059 16.644 11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.365 14.121 12.711 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.959 15.731 13.064 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.583 13.807 12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.817 15.503 11.649 1.00 0.00 H new ATOM 945 N ALA A 62 -4.666 13.652 8.595 1.00 0.00 N ATOM 946 CA ALA A 62 -3.748 12.569 8.263 1.00 0.00 C ATOM 947 C ALA A 62 -2.452 13.109 7.668 1.00 0.00 C ATOM 948 O ALA A 62 -2.468 13.814 6.660 1.00 0.00 O ATOM 949 CB ALA A 62 -4.409 11.595 7.297 1.00 0.00 C ATOM 0 H ALA A 62 -4.687 14.410 7.913 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.501 12.041 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.713 10.791 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.303 11.175 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.685 12.120 6.383 1.00 0.00 H new ATOM 955 N GLU A 63 -1.332 12.774 8.301 1.00 0.00 N ATOM 956 CA GLU A 63 -0.028 13.229 7.834 1.00 0.00 C ATOM 957 C GLU A 63 0.666 12.143 7.016 1.00 0.00 C ATOM 958 O GLU A 63 1.846 11.854 7.220 1.00 0.00 O ATOM 959 CB GLU A 63 0.852 13.630 9.020 1.00 0.00 C ATOM 960 CG GLU A 63 2.006 14.545 8.641 1.00 0.00 C ATOM 961 CD GLU A 63 2.716 15.120 9.851 1.00 0.00 C ATOM 962 OE1 GLU A 63 2.291 16.193 10.332 1.00 0.00 O ATOM 963 OE2 GLU A 63 3.693 14.500 10.317 1.00 0.00 O ATOM 0 H GLU A 63 -1.302 12.190 9.137 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.182 14.099 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.235 14.128 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.252 12.729 9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.721 13.989 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.630 15.361 8.023 1.00 0.00 H new ATOM 970 N VAL A 64 -0.075 11.542 6.091 1.00 0.00 N ATOM 971 CA VAL A 64 0.467 10.488 5.243 1.00 0.00 C ATOM 972 C VAL A 64 0.801 11.019 3.853 1.00 0.00 C ATOM 973 O VAL A 64 0.097 11.875 3.318 1.00 0.00 O ATOM 974 CB VAL A 64 -0.519 9.313 5.107 1.00 0.00 C ATOM 975 CG1 VAL A 64 -1.829 9.783 4.494 1.00 0.00 C ATOM 976 CG2 VAL A 64 0.096 8.194 4.280 1.00 0.00 C ATOM 0 H VAL A 64 -1.053 11.767 5.910 1.00 0.00 H new ATOM 0 HA VAL A 64 1.379 10.133 5.723 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.731 8.923 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.513 8.939 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.275 10.547 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.639 10.201 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.615 7.372 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.340 8.568 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.004 7.839 4.767 1.00 0.00 H new ATOM 986 N SER A 65 1.881 10.504 3.273 1.00 0.00 N ATOM 987 CA SER A 65 2.311 10.928 1.946 1.00 0.00 C ATOM 988 C SER A 65 1.951 9.881 0.897 1.00 0.00 C ATOM 989 O SER A 65 1.833 8.695 1.204 1.00 0.00 O ATOM 990 CB SER A 65 3.820 11.183 1.933 1.00 0.00 C ATOM 991 OG SER A 65 4.258 11.584 0.647 1.00 0.00 O ATOM 0 H SER A 65 2.474 9.793 3.701 1.00 0.00 H new ATOM 0 HA SER A 65 1.791 11.854 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.068 11.954 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.348 10.278 2.235 1.00 0.00 H new ATOM 0 HG SER A 65 5.225 11.742 0.665 1.00 0.00 H new ATOM 997 N GLY A 66 1.780 10.328 -0.343 1.00 0.00 N ATOM 998 CA GLY A 66 1.435 9.418 -1.419 1.00 0.00 C ATOM 999 C GLY A 66 -0.058 9.352 -1.668 1.00 0.00 C ATOM 1000 O GLY A 66 -0.748 8.442 -1.209 1.00 0.00 O ATOM 0 H GLY A 66 1.874 11.305 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.939 9.734 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.804 8.421 -1.179 1.00 0.00 H new ATOM 1004 N PRO A 67 -0.582 10.339 -2.411 1.00 0.00 N ATOM 1005 CA PRO A 67 -2.010 10.413 -2.736 1.00 0.00 C ATOM 1006 C PRO A 67 -2.441 9.320 -3.708 1.00 0.00 C ATOM 1007 O PRO A 67 -2.136 9.379 -4.899 1.00 0.00 O ATOM 1008 CB PRO A 67 -2.155 11.792 -3.384 1.00 0.00 C ATOM 1009 CG PRO A 67 -0.804 12.097 -3.933 1.00 0.00 C ATOM 1010 CD PRO A 67 0.179 11.457 -2.991 1.00 0.00 C ATOM 0 HA PRO A 67 -2.636 10.273 -1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.909 11.782 -4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.465 12.541 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.694 11.699 -4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.642 13.173 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.069 11.108 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.514 12.156 -2.224 1.00 0.00 H new ATOM 1018 N SER A 68 -3.152 8.322 -3.192 1.00 0.00 N ATOM 1019 CA SER A 68 -3.623 7.214 -4.014 1.00 0.00 C ATOM 1020 C SER A 68 -4.605 7.702 -5.074 1.00 0.00 C ATOM 1021 O SER A 68 -5.401 8.609 -4.828 1.00 0.00 O ATOM 1022 CB SER A 68 -4.286 6.148 -3.139 1.00 0.00 C ATOM 1023 OG SER A 68 -3.316 5.353 -2.479 1.00 0.00 O ATOM 0 H SER A 68 -3.414 8.258 -2.208 1.00 0.00 H new ATOM 0 HA SER A 68 -2.761 6.776 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.930 6.627 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.923 5.513 -3.754 1.00 0.00 H new ATOM 0 HG SER A 68 -3.766 4.681 -1.925 1.00 0.00 H new ATOM 1029 N SER A 69 -4.544 7.093 -6.254 1.00 0.00 N ATOM 1030 CA SER A 69 -5.425 7.468 -7.354 1.00 0.00 C ATOM 1031 C SER A 69 -5.233 6.535 -8.545 1.00 0.00 C ATOM 1032 O SER A 69 -4.120 6.366 -9.043 1.00 0.00 O ATOM 1033 CB SER A 69 -5.162 8.914 -7.776 1.00 0.00 C ATOM 1034 OG SER A 69 -3.865 9.056 -8.329 1.00 0.00 O ATOM 0 H SER A 69 -3.894 6.338 -6.473 1.00 0.00 H new ATOM 0 HA SER A 69 -6.455 7.380 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.908 9.224 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.267 9.573 -6.914 1.00 0.00 H new ATOM 0 HG SER A 69 -3.542 8.183 -8.635 1.00 0.00 H new ATOM 1040 N GLY A 70 -6.327 5.931 -8.999 1.00 0.00 N ATOM 1041 CA GLY A 70 -6.259 5.022 -10.128 1.00 0.00 C ATOM 1042 C GLY A 70 -6.109 5.749 -11.449 1.00 0.00 C ATOM 1043 O GLY A 70 -6.494 5.230 -12.497 1.00 0.00 O ATOM 0 H GLY A 70 -7.259 6.055 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.418 4.342 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.161 4.411 -10.153 1.00 0.00 H new TER 1047 GLY A 70