USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 37 GLN : amide:sc= 0.00132 X(o=0.0013,f=-0.015) USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.00117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 20:sc= 0.0444 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00405) USER MOD Single : A 19 GLN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0.305 (180deg=0.294) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 47 HIS : no HD1:sc= -2 K(o=-2,f=-5.9!) USER MOD Single : A 48 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.053) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 33:sc= 0.33 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.469 -13.979 -18.938 1.00 0.00 N ATOM 2 CA GLY A 1 18.712 -14.863 -17.813 1.00 0.00 C ATOM 3 C GLY A 1 17.715 -14.659 -16.690 1.00 0.00 C ATOM 4 O GLY A 1 16.515 -14.535 -16.931 1.00 0.00 O ATOM 0 H1 GLY A 1 18.732 -14.461 -19.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.461 -13.725 -18.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.040 -13.116 -18.831 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.666 -15.898 -18.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.720 -14.696 -17.434 1.00 0.00 H new ATOM 8 N SER A 2 18.213 -14.626 -15.457 1.00 0.00 N ATOM 9 CA SER A 2 17.356 -14.442 -14.292 1.00 0.00 C ATOM 10 C SER A 2 17.399 -12.995 -13.810 1.00 0.00 C ATOM 11 O SER A 2 18.212 -12.197 -14.277 1.00 0.00 O ATOM 12 CB SER A 2 17.786 -15.381 -13.163 1.00 0.00 C ATOM 13 OG SER A 2 19.164 -15.229 -12.871 1.00 0.00 O ATOM 0 H SER A 2 19.205 -14.724 -15.240 1.00 0.00 H new ATOM 0 HA SER A 2 16.333 -14.680 -14.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.197 -15.174 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.583 -16.414 -13.447 1.00 0.00 H new ATOM 0 HG SER A 2 19.414 -15.838 -12.145 1.00 0.00 H new ATOM 19 N SER A 3 16.517 -12.664 -12.871 1.00 0.00 N ATOM 20 CA SER A 3 16.451 -11.313 -12.327 1.00 0.00 C ATOM 21 C SER A 3 16.420 -11.342 -10.802 1.00 0.00 C ATOM 22 O SER A 3 17.124 -10.580 -10.141 1.00 0.00 O ATOM 23 CB SER A 3 15.214 -10.587 -12.860 1.00 0.00 C ATOM 24 OG SER A 3 15.248 -9.210 -12.527 1.00 0.00 O ATOM 0 H SER A 3 15.839 -13.313 -12.472 1.00 0.00 H new ATOM 0 HA SER A 3 17.345 -10.776 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.160 -10.701 -13.943 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.314 -11.042 -12.446 1.00 0.00 H new ATOM 0 HG SER A 3 14.448 -8.768 -12.880 1.00 0.00 H new ATOM 30 N GLY A 4 15.598 -12.230 -10.250 1.00 0.00 N ATOM 31 CA GLY A 4 15.490 -12.343 -8.807 1.00 0.00 C ATOM 32 C GLY A 4 14.071 -12.618 -8.352 1.00 0.00 C ATOM 33 O GLY A 4 13.641 -13.770 -8.299 1.00 0.00 O ATOM 0 H GLY A 4 15.006 -12.872 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.142 -13.144 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.844 -11.421 -8.346 1.00 0.00 H new ATOM 37 N SER A 5 13.341 -11.557 -8.020 1.00 0.00 N ATOM 38 CA SER A 5 11.964 -11.690 -7.562 1.00 0.00 C ATOM 39 C SER A 5 11.025 -10.835 -8.407 1.00 0.00 C ATOM 40 O SER A 5 11.468 -10.050 -9.245 1.00 0.00 O ATOM 41 CB SER A 5 11.853 -11.288 -6.090 1.00 0.00 C ATOM 42 OG SER A 5 12.005 -9.888 -5.931 1.00 0.00 O ATOM 0 H SER A 5 13.681 -10.596 -8.060 1.00 0.00 H new ATOM 0 HA SER A 5 11.671 -12.734 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.885 -11.599 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.615 -11.808 -5.509 1.00 0.00 H new ATOM 0 HG SER A 5 11.928 -9.656 -4.982 1.00 0.00 H new ATOM 48 N SER A 6 9.725 -10.993 -8.179 1.00 0.00 N ATOM 49 CA SER A 6 8.722 -10.238 -8.921 1.00 0.00 C ATOM 50 C SER A 6 7.542 -9.873 -8.024 1.00 0.00 C ATOM 51 O SER A 6 7.080 -10.687 -7.226 1.00 0.00 O ATOM 52 CB SER A 6 8.231 -11.047 -10.124 1.00 0.00 C ATOM 53 OG SER A 6 9.118 -10.918 -11.221 1.00 0.00 O ATOM 0 H SER A 6 9.342 -11.637 -7.487 1.00 0.00 H new ATOM 0 HA SER A 6 9.185 -9.317 -9.275 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.140 -12.097 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.237 -10.707 -10.414 1.00 0.00 H new ATOM 0 HG SER A 6 9.995 -10.620 -10.900 1.00 0.00 H new ATOM 59 N GLY A 7 7.061 -8.642 -8.162 1.00 0.00 N ATOM 60 CA GLY A 7 5.940 -8.189 -7.359 1.00 0.00 C ATOM 61 C GLY A 7 4.608 -8.672 -7.898 1.00 0.00 C ATOM 62 O GLY A 7 4.542 -9.248 -8.984 1.00 0.00 O ATOM 0 H GLY A 7 7.427 -7.950 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.064 -8.543 -6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.940 -7.100 -7.322 1.00 0.00 H new ATOM 66 N ARG A 8 3.544 -8.439 -7.136 1.00 0.00 N ATOM 67 CA ARG A 8 2.207 -8.857 -7.542 1.00 0.00 C ATOM 68 C ARG A 8 1.329 -7.647 -7.848 1.00 0.00 C ATOM 69 O ARG A 8 1.408 -6.609 -7.190 1.00 0.00 O ATOM 70 CB ARG A 8 1.561 -9.706 -6.447 1.00 0.00 C ATOM 71 CG ARG A 8 1.901 -11.185 -6.542 1.00 0.00 C ATOM 72 CD ARG A 8 1.209 -11.987 -5.451 1.00 0.00 C ATOM 73 NE ARG A 8 1.632 -11.574 -4.116 1.00 0.00 N ATOM 74 CZ ARG A 8 2.769 -11.965 -3.551 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.592 -12.775 -4.203 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.084 -11.546 -2.332 1.00 0.00 N ATOM 0 H ARG A 8 3.582 -7.963 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 8 2.300 -9.455 -8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.878 -9.331 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.479 -9.587 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.604 -11.566 -7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.980 -11.317 -6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.129 -11.867 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.425 -13.047 -5.588 1.00 0.00 H new ATOM 0 HE ARG A 8 1.021 -10.951 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.353 -13.099 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.465 -13.074 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.453 -10.923 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 8 3.957 -11.847 -1.899 1.00 0.00 H new ATOM 90 N PRO A 9 0.471 -7.781 -8.870 1.00 0.00 N ATOM 91 CA PRO A 9 -0.438 -6.710 -9.287 1.00 0.00 C ATOM 92 C PRO A 9 -1.543 -6.458 -8.266 1.00 0.00 C ATOM 93 O PRO A 9 -2.302 -7.363 -7.922 1.00 0.00 O ATOM 94 CB PRO A 9 -1.031 -7.236 -10.596 1.00 0.00 C ATOM 95 CG PRO A 9 -0.926 -8.719 -10.491 1.00 0.00 C ATOM 96 CD PRO A 9 0.323 -8.990 -9.699 1.00 0.00 C ATOM 0 HA PRO A 9 0.078 -5.755 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.067 -6.920 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.481 -6.860 -11.459 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.801 -9.138 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.869 -9.177 -11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.224 -9.887 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.186 -9.140 -10.348 1.00 0.00 H new ATOM 104 N ALA A 10 -1.626 -5.222 -7.785 1.00 0.00 N ATOM 105 CA ALA A 10 -2.640 -4.851 -6.805 1.00 0.00 C ATOM 106 C ALA A 10 -3.148 -3.434 -7.050 1.00 0.00 C ATOM 107 O ALA A 10 -2.400 -2.566 -7.501 1.00 0.00 O ATOM 108 CB ALA A 10 -2.082 -4.977 -5.395 1.00 0.00 C ATOM 0 H ALA A 10 -1.004 -4.461 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.482 -5.535 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.850 -4.697 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.774 -6.007 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.222 -4.317 -5.284 1.00 0.00 H new ATOM 114 N ARG A 11 -4.422 -3.207 -6.751 1.00 0.00 N ATOM 115 CA ARG A 11 -5.030 -1.895 -6.941 1.00 0.00 C ATOM 116 C ARG A 11 -5.446 -1.290 -5.604 1.00 0.00 C ATOM 117 O ARG A 11 -5.999 -1.976 -4.746 1.00 0.00 O ATOM 118 CB ARG A 11 -6.245 -2.002 -7.865 1.00 0.00 C ATOM 119 CG ARG A 11 -7.013 -0.699 -8.013 1.00 0.00 C ATOM 120 CD ARG A 11 -7.912 -0.718 -9.240 1.00 0.00 C ATOM 121 NE ARG A 11 -9.085 0.135 -9.073 1.00 0.00 N ATOM 122 CZ ARG A 11 -9.881 0.495 -10.074 1.00 0.00 C ATOM 123 NH1 ARG A 11 -9.630 0.078 -11.307 1.00 0.00 N ATOM 124 NH2 ARG A 11 -10.930 1.273 -9.842 1.00 0.00 N ATOM 0 H ARG A 11 -5.054 -3.914 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.289 -1.241 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.914 -2.333 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.917 -2.769 -7.480 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.616 -0.528 -7.121 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.311 0.132 -8.088 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.345 -0.388 -10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.233 -1.741 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.306 0.473 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.824 -0.521 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.243 0.356 -12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.126 1.595 -8.894 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.540 1.549 -10.611 1.00 0.00 H new ATOM 138 N ALA A 12 -5.174 0.000 -5.434 1.00 0.00 N ATOM 139 CA ALA A 12 -5.521 0.699 -4.203 1.00 0.00 C ATOM 140 C ALA A 12 -7.023 0.943 -4.115 1.00 0.00 C ATOM 141 O ALA A 12 -7.580 1.733 -4.877 1.00 0.00 O ATOM 142 CB ALA A 12 -4.764 2.015 -4.112 1.00 0.00 C ATOM 0 H ALA A 12 -4.714 0.582 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.232 0.068 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.033 2.526 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.692 1.819 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.024 2.644 -4.963 1.00 0.00 H new ATOM 148 N LYS A 13 -7.676 0.259 -3.181 1.00 0.00 N ATOM 149 CA LYS A 13 -9.114 0.402 -2.992 1.00 0.00 C ATOM 150 C LYS A 13 -9.456 1.780 -2.434 1.00 0.00 C ATOM 151 O LYS A 13 -10.518 2.332 -2.723 1.00 0.00 O ATOM 152 CB LYS A 13 -9.636 -0.685 -2.050 1.00 0.00 C ATOM 153 CG LYS A 13 -9.643 -2.073 -2.667 1.00 0.00 C ATOM 154 CD LYS A 13 -10.846 -2.274 -3.574 1.00 0.00 C ATOM 155 CE LYS A 13 -12.084 -2.659 -2.779 1.00 0.00 C ATOM 156 NZ LYS A 13 -13.036 -3.467 -3.591 1.00 0.00 N ATOM 0 H LYS A 13 -7.231 -0.400 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.595 0.294 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.021 -0.700 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.649 -0.429 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.727 -2.223 -3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.653 -2.824 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.040 -1.358 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.626 -3.051 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.787 -3.226 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.583 -1.757 -2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.866 -3.709 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.339 -2.917 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.568 -4.340 -3.908 1.00 0.00 H new ATOM 170 N PHE A 14 -8.549 2.331 -1.634 1.00 0.00 N ATOM 171 CA PHE A 14 -8.754 3.645 -1.036 1.00 0.00 C ATOM 172 C PHE A 14 -7.483 4.485 -1.120 1.00 0.00 C ATOM 173 O PHE A 14 -6.404 3.970 -1.411 1.00 0.00 O ATOM 174 CB PHE A 14 -9.188 3.502 0.424 1.00 0.00 C ATOM 175 CG PHE A 14 -10.392 2.623 0.608 1.00 0.00 C ATOM 176 CD1 PHE A 14 -10.271 1.243 0.574 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.646 3.177 0.815 1.00 0.00 C ATOM 178 CE1 PHE A 14 -11.377 0.432 0.743 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.755 2.370 0.985 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.621 0.996 0.948 1.00 0.00 C ATOM 0 H PHE A 14 -7.665 1.888 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.541 4.152 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.359 3.095 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.404 4.491 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.301 0.796 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.757 4.251 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.269 -0.642 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.726 2.814 1.147 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.487 0.364 1.079 1.00 0.00 H new ATOM 190 N ASP A 15 -7.621 5.782 -0.864 1.00 0.00 N ATOM 191 CA ASP A 15 -6.485 6.695 -0.911 1.00 0.00 C ATOM 192 C ASP A 15 -5.687 6.636 0.388 1.00 0.00 C ATOM 193 O ASP A 15 -6.175 7.035 1.447 1.00 0.00 O ATOM 194 CB ASP A 15 -6.963 8.125 -1.166 1.00 0.00 C ATOM 195 CG ASP A 15 -7.907 8.217 -2.349 1.00 0.00 C ATOM 196 OD1 ASP A 15 -7.416 8.334 -3.492 1.00 0.00 O ATOM 197 OD2 ASP A 15 -9.136 8.174 -2.133 1.00 0.00 O ATOM 0 H ASP A 15 -8.508 6.224 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.835 6.386 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.464 8.502 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.100 8.767 -1.342 1.00 0.00 H new ATOM 202 N PHE A 16 -4.459 6.136 0.301 1.00 0.00 N ATOM 203 CA PHE A 16 -3.595 6.023 1.470 1.00 0.00 C ATOM 204 C PHE A 16 -2.556 7.141 1.488 1.00 0.00 C ATOM 205 O PHE A 16 -2.141 7.636 0.440 1.00 0.00 O ATOM 206 CB PHE A 16 -2.896 4.662 1.484 1.00 0.00 C ATOM 207 CG PHE A 16 -2.006 4.458 2.677 1.00 0.00 C ATOM 208 CD1 PHE A 16 -0.748 5.037 2.726 1.00 0.00 C ATOM 209 CD2 PHE A 16 -2.427 3.688 3.749 1.00 0.00 C ATOM 210 CE1 PHE A 16 0.074 4.850 3.822 1.00 0.00 C ATOM 211 CE2 PHE A 16 -1.610 3.498 4.847 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.359 4.080 4.884 1.00 0.00 C ATOM 0 H PHE A 16 -4.040 5.803 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.217 6.114 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.650 3.875 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.302 4.558 0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.406 5.641 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.405 3.231 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.053 5.305 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.950 2.895 5.676 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.280 3.934 5.742 1.00 0.00 H new ATOM 222 N LYS A 17 -2.141 7.535 2.687 1.00 0.00 N ATOM 223 CA LYS A 17 -1.150 8.593 2.845 1.00 0.00 C ATOM 224 C LYS A 17 0.035 8.110 3.674 1.00 0.00 C ATOM 225 O LYS A 17 -0.128 7.674 4.813 1.00 0.00 O ATOM 226 CB LYS A 17 -1.784 9.818 3.508 1.00 0.00 C ATOM 227 CG LYS A 17 -2.355 9.537 4.887 1.00 0.00 C ATOM 228 CD LYS A 17 -3.021 10.768 5.477 1.00 0.00 C ATOM 229 CE LYS A 17 -3.923 10.407 6.647 1.00 0.00 C ATOM 230 NZ LYS A 17 -3.155 9.814 7.777 1.00 0.00 N ATOM 0 H LYS A 17 -2.476 7.137 3.564 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.789 8.869 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.035 10.606 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.579 10.198 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.080 8.726 4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.558 9.201 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.258 11.472 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.606 11.271 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.445 11.299 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.684 9.701 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.803 9.597 8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.690 8.939 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.435 10.491 8.100 1.00 0.00 H new ATOM 244 N ALA A 18 1.229 8.193 3.095 1.00 0.00 N ATOM 245 CA ALA A 18 2.442 7.767 3.782 1.00 0.00 C ATOM 246 C ALA A 18 3.079 8.927 4.541 1.00 0.00 C ATOM 247 O ALA A 18 3.533 9.899 3.938 1.00 0.00 O ATOM 248 CB ALA A 18 3.432 7.177 2.789 1.00 0.00 C ATOM 0 H ALA A 18 1.382 8.551 2.152 1.00 0.00 H new ATOM 0 HA ALA A 18 2.169 6.999 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.333 6.863 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.982 6.316 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.691 7.929 2.043 1.00 0.00 H new ATOM 254 N GLN A 19 3.107 8.817 5.865 1.00 0.00 N ATOM 255 CA GLN A 19 3.687 9.858 6.705 1.00 0.00 C ATOM 256 C GLN A 19 5.209 9.859 6.598 1.00 0.00 C ATOM 257 O GLN A 19 5.846 10.911 6.661 1.00 0.00 O ATOM 258 CB GLN A 19 3.267 9.660 8.162 1.00 0.00 C ATOM 259 CG GLN A 19 3.366 8.218 8.634 1.00 0.00 C ATOM 260 CD GLN A 19 3.222 8.084 10.137 1.00 0.00 C ATOM 261 OE1 GLN A 19 2.325 7.398 10.627 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.108 8.740 10.877 1.00 0.00 N ATOM 0 H GLN A 19 2.735 8.018 6.379 1.00 0.00 H new ATOM 0 HA GLN A 19 3.316 10.821 6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.892 10.286 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.240 10.004 8.285 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.593 7.626 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.327 7.804 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.835 9.297 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.062 8.687 11.895 1.00 0.00 H new ATOM 271 N THR A 20 5.786 8.673 6.435 1.00 0.00 N ATOM 272 CA THR A 20 7.233 8.537 6.321 1.00 0.00 C ATOM 273 C THR A 20 7.606 7.500 5.267 1.00 0.00 C ATOM 274 O THR A 20 6.738 6.827 4.709 1.00 0.00 O ATOM 275 CB THR A 20 7.868 8.137 7.666 1.00 0.00 C ATOM 276 OG1 THR A 20 7.706 6.731 7.885 1.00 0.00 O ATOM 277 CG2 THR A 20 7.236 8.910 8.813 1.00 0.00 C ATOM 0 H THR A 20 5.274 7.793 6.379 1.00 0.00 H new ATOM 0 HA THR A 20 7.619 9.511 6.021 1.00 0.00 H new ATOM 0 HB THR A 20 8.930 8.378 7.628 1.00 0.00 H new ATOM 0 HG1 THR A 20 8.114 6.484 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.700 8.611 9.753 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.386 9.978 8.658 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.168 8.695 8.852 1.00 0.00 H new ATOM 285 N LEU A 21 8.901 7.376 4.999 1.00 0.00 N ATOM 286 CA LEU A 21 9.389 6.419 4.012 1.00 0.00 C ATOM 287 C LEU A 21 8.817 5.029 4.271 1.00 0.00 C ATOM 288 O LEU A 21 8.336 4.363 3.354 1.00 0.00 O ATOM 289 CB LEU A 21 10.918 6.366 4.037 1.00 0.00 C ATOM 290 CG LEU A 21 11.641 7.495 3.302 1.00 0.00 C ATOM 291 CD1 LEU A 21 11.529 8.797 4.081 1.00 0.00 C ATOM 292 CD2 LEU A 21 13.101 7.133 3.071 1.00 0.00 C ATOM 0 H LEU A 21 9.632 7.926 5.451 1.00 0.00 H new ATOM 0 HA LEU A 21 9.058 6.750 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.245 6.369 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.236 5.417 3.606 1.00 0.00 H new ATOM 0 HG LEU A 21 11.165 7.634 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.049 9.589 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.478 9.064 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.979 8.672 5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.599 7.948 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.591 6.966 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.160 6.225 2.470 1.00 0.00 H new ATOM 304 N LYS A 22 8.870 4.597 5.526 1.00 0.00 N ATOM 305 CA LYS A 22 8.354 3.288 5.908 1.00 0.00 C ATOM 306 C LYS A 22 7.062 2.974 5.162 1.00 0.00 C ATOM 307 O LYS A 22 6.865 1.856 4.687 1.00 0.00 O ATOM 308 CB LYS A 22 8.110 3.234 7.418 1.00 0.00 C ATOM 309 CG LYS A 22 8.010 1.822 7.968 1.00 0.00 C ATOM 310 CD LYS A 22 7.815 1.823 9.475 1.00 0.00 C ATOM 311 CE LYS A 22 6.385 2.177 9.853 1.00 0.00 C ATOM 312 NZ LYS A 22 6.229 2.362 11.322 1.00 0.00 N ATOM 0 H LYS A 22 9.266 5.135 6.297 1.00 0.00 H new ATOM 0 HA LYS A 22 9.099 2.539 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.920 3.757 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.190 3.771 7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.177 1.304 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.915 1.268 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.066 0.841 9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.500 2.538 9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.089 3.091 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.714 1.388 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.241 2.602 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.487 1.482 11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.850 3.132 11.643 1.00 0.00 H new ATOM 326 N GLU A 23 6.184 3.968 5.063 1.00 0.00 N ATOM 327 CA GLU A 23 4.911 3.796 4.374 1.00 0.00 C ATOM 328 C GLU A 23 4.972 4.380 2.965 1.00 0.00 C ATOM 329 O GLU A 23 5.822 5.218 2.664 1.00 0.00 O ATOM 330 CB GLU A 23 3.783 4.461 5.165 1.00 0.00 C ATOM 331 CG GLU A 23 3.290 3.631 6.338 1.00 0.00 C ATOM 332 CD GLU A 23 2.631 4.473 7.414 1.00 0.00 C ATOM 333 OE1 GLU A 23 1.593 5.102 7.121 1.00 0.00 O ATOM 334 OE2 GLU A 23 3.154 4.503 8.547 1.00 0.00 O ATOM 0 H GLU A 23 6.331 4.900 5.451 1.00 0.00 H new ATOM 0 HA GLU A 23 4.710 2.727 4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.130 5.426 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.947 4.658 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.579 2.887 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.129 3.087 6.771 1.00 0.00 H new ATOM 341 N LEU A 24 4.064 3.930 2.106 1.00 0.00 N ATOM 342 CA LEU A 24 4.013 4.407 0.728 1.00 0.00 C ATOM 343 C LEU A 24 2.630 4.956 0.392 1.00 0.00 C ATOM 344 O LEU A 24 1.604 4.339 0.678 1.00 0.00 O ATOM 345 CB LEU A 24 4.373 3.276 -0.237 1.00 0.00 C ATOM 346 CG LEU A 24 4.063 3.529 -1.713 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.234 4.222 -2.393 1.00 0.00 C ATOM 348 CD2 LEU A 24 3.731 2.223 -2.420 1.00 0.00 C ATOM 0 H LEU A 24 3.354 3.236 2.339 1.00 0.00 H new ATOM 0 HA LEU A 24 4.739 5.213 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.439 3.069 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.843 2.376 0.076 1.00 0.00 H new ATOM 0 HG LEU A 24 3.194 4.184 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.995 4.394 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.426 5.177 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.121 3.593 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.513 2.422 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.581 1.544 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.861 1.765 -1.949 1.00 0.00 H new ATOM 360 N PRO A 25 2.600 6.143 -0.232 1.00 0.00 N ATOM 361 CA PRO A 25 1.350 6.801 -0.623 1.00 0.00 C ATOM 362 C PRO A 25 0.644 6.074 -1.763 1.00 0.00 C ATOM 363 O PRO A 25 1.270 5.699 -2.755 1.00 0.00 O ATOM 364 CB PRO A 25 1.806 8.190 -1.076 1.00 0.00 C ATOM 365 CG PRO A 25 3.222 8.004 -1.499 1.00 0.00 C ATOM 366 CD PRO A 25 3.785 6.935 -0.604 1.00 0.00 C ATOM 0 HA PRO A 25 0.627 6.820 0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.193 8.560 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.727 8.916 -0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.281 7.707 -2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.784 8.932 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.528 6.328 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.275 7.361 0.272 1.00 0.00 H new ATOM 374 N LEU A 26 -0.661 5.877 -1.615 1.00 0.00 N ATOM 375 CA LEU A 26 -1.452 5.195 -2.633 1.00 0.00 C ATOM 376 C LEU A 26 -2.737 5.962 -2.929 1.00 0.00 C ATOM 377 O LEU A 26 -3.347 6.540 -2.029 1.00 0.00 O ATOM 378 CB LEU A 26 -1.787 3.773 -2.178 1.00 0.00 C ATOM 379 CG LEU A 26 -0.594 2.857 -1.905 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.055 1.557 -1.265 1.00 0.00 C ATOM 381 CD2 LEU A 26 0.170 2.579 -3.191 1.00 0.00 C ATOM 0 H LEU A 26 -1.194 6.180 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.860 5.148 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.387 3.835 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.411 3.306 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 26 0.076 3.362 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.192 0.918 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.557 1.774 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.746 1.047 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.016 1.925 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.491 2.094 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.533 3.518 -3.609 1.00 0.00 H new ATOM 393 N GLN A 27 -3.143 5.961 -4.194 1.00 0.00 N ATOM 394 CA GLN A 27 -4.356 6.656 -4.608 1.00 0.00 C ATOM 395 C GLN A 27 -5.410 5.668 -5.095 1.00 0.00 C ATOM 396 O GLN A 27 -5.089 4.665 -5.733 1.00 0.00 O ATOM 397 CB GLN A 27 -4.039 7.667 -5.711 1.00 0.00 C ATOM 398 CG GLN A 27 -5.266 8.141 -6.474 1.00 0.00 C ATOM 399 CD GLN A 27 -5.112 9.551 -7.009 1.00 0.00 C ATOM 400 OE1 GLN A 27 -4.010 9.979 -7.355 1.00 0.00 O ATOM 401 NE2 GLN A 27 -6.218 10.281 -7.081 1.00 0.00 N ATOM 0 H GLN A 27 -2.650 5.487 -4.950 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.754 7.186 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.541 8.530 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.336 7.218 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.458 7.461 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.136 8.098 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.110 9.886 -6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.176 11.237 -7.434 1.00 0.00 H new ATOM 410 N LYS A 28 -6.671 5.957 -4.791 1.00 0.00 N ATOM 411 CA LYS A 28 -7.774 5.095 -5.198 1.00 0.00 C ATOM 412 C LYS A 28 -7.760 4.869 -6.707 1.00 0.00 C ATOM 413 O LYS A 28 -7.868 5.814 -7.487 1.00 0.00 O ATOM 414 CB LYS A 28 -9.111 5.709 -4.776 1.00 0.00 C ATOM 415 CG LYS A 28 -10.308 4.824 -5.075 1.00 0.00 C ATOM 416 CD LYS A 28 -11.617 5.570 -4.877 1.00 0.00 C ATOM 417 CE LYS A 28 -11.873 5.867 -3.408 1.00 0.00 C ATOM 418 NZ LYS A 28 -12.542 4.728 -2.720 1.00 0.00 N ATOM 0 H LYS A 28 -6.954 6.783 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.651 4.132 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.083 5.919 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.240 6.664 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.246 4.462 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.285 3.949 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.593 6.504 -5.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.439 4.977 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.928 6.086 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.493 6.759 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.775 5.001 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.415 4.480 -3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.904 3.907 -2.707 1.00 0.00 H new ATOM 432 N GLY A 29 -7.626 3.610 -7.111 1.00 0.00 N ATOM 433 CA GLY A 29 -7.602 3.283 -8.524 1.00 0.00 C ATOM 434 C GLY A 29 -6.200 3.003 -9.031 1.00 0.00 C ATOM 435 O GLY A 29 -6.019 2.267 -10.000 1.00 0.00 O ATOM 0 H GLY A 29 -7.534 2.810 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.231 2.411 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.032 4.108 -9.092 1.00 0.00 H new ATOM 439 N ASP A 30 -5.208 3.594 -8.375 1.00 0.00 N ATOM 440 CA ASP A 30 -3.815 3.406 -8.765 1.00 0.00 C ATOM 441 C ASP A 30 -3.403 1.944 -8.620 1.00 0.00 C ATOM 442 O ASP A 30 -3.949 1.214 -7.792 1.00 0.00 O ATOM 443 CB ASP A 30 -2.901 4.292 -7.916 1.00 0.00 C ATOM 444 CG ASP A 30 -2.858 5.723 -8.415 1.00 0.00 C ATOM 445 OD1 ASP A 30 -3.926 6.369 -8.459 1.00 0.00 O ATOM 446 OD2 ASP A 30 -1.755 6.197 -8.760 1.00 0.00 O ATOM 0 H ASP A 30 -5.342 4.207 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.715 3.692 -9.812 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.246 4.281 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.893 3.878 -7.920 1.00 0.00 H new ATOM 451 N ILE A 31 -2.439 1.523 -9.432 1.00 0.00 N ATOM 452 CA ILE A 31 -1.955 0.149 -9.394 1.00 0.00 C ATOM 453 C ILE A 31 -0.516 0.086 -8.893 1.00 0.00 C ATOM 454 O ILE A 31 0.321 0.905 -9.274 1.00 0.00 O ATOM 455 CB ILE A 31 -2.033 -0.514 -10.782 1.00 0.00 C ATOM 456 CG1 ILE A 31 -3.458 -0.427 -11.334 1.00 0.00 C ATOM 457 CG2 ILE A 31 -1.577 -1.963 -10.704 1.00 0.00 C ATOM 458 CD1 ILE A 31 -4.387 -1.481 -10.774 1.00 0.00 C ATOM 0 H ILE A 31 -1.978 2.114 -10.124 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.601 -0.394 -8.704 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.367 0.020 -11.461 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.865 0.560 -11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.425 -0.522 -12.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.638 -2.417 -11.693 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.547 -2.002 -10.350 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.219 -2.510 -10.013 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.379 -1.360 -11.209 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.003 -2.471 -11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.450 -1.373 -9.691 1.00 0.00 H new ATOM 470 N VAL A 32 -0.235 -0.892 -8.039 1.00 0.00 N ATOM 471 CA VAL A 32 1.104 -1.064 -7.487 1.00 0.00 C ATOM 472 C VAL A 32 1.551 -2.519 -7.575 1.00 0.00 C ATOM 473 O VAL A 32 0.767 -3.401 -7.925 1.00 0.00 O ATOM 474 CB VAL A 32 1.169 -0.606 -6.018 1.00 0.00 C ATOM 475 CG1 VAL A 32 0.504 0.752 -5.852 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.523 -1.640 -5.109 1.00 0.00 C ATOM 0 H VAL A 32 -0.916 -1.578 -7.714 1.00 0.00 H new ATOM 0 HA VAL A 32 1.774 -0.444 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 32 2.216 -0.508 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.560 1.059 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.016 1.486 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.541 0.685 -6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.578 -1.300 -4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.521 -1.772 -5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.049 -2.590 -5.207 1.00 0.00 H new ATOM 486 N TYR A 33 2.817 -2.763 -7.253 1.00 0.00 N ATOM 487 CA TYR A 33 3.370 -4.111 -7.297 1.00 0.00 C ATOM 488 C TYR A 33 3.907 -4.524 -5.930 1.00 0.00 C ATOM 489 O TYR A 33 4.870 -3.944 -5.428 1.00 0.00 O ATOM 490 CB TYR A 33 4.485 -4.194 -8.341 1.00 0.00 C ATOM 491 CG TYR A 33 3.984 -4.480 -9.739 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.631 -5.767 -10.123 1.00 0.00 C ATOM 493 CD2 TYR A 33 3.864 -3.461 -10.677 1.00 0.00 C ATOM 494 CE1 TYR A 33 3.174 -6.033 -11.399 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.406 -3.717 -11.955 1.00 0.00 C ATOM 496 CZ TYR A 33 3.063 -5.005 -12.311 1.00 0.00 C ATOM 497 OH TYR A 33 2.607 -5.265 -13.583 1.00 0.00 O ATOM 0 H TYR A 33 3.479 -2.045 -6.959 1.00 0.00 H new ATOM 0 HA TYR A 33 2.569 -4.796 -7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.037 -3.254 -8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.188 -4.974 -8.049 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.715 -6.575 -9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.133 -2.452 -10.402 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.905 -7.040 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.317 -2.914 -12.671 1.00 0.00 H new ATOM 0 HH TYR A 33 2.587 -4.433 -14.100 1.00 0.00 H new ATOM 507 N ILE A 34 3.278 -5.531 -5.334 1.00 0.00 N ATOM 508 CA ILE A 34 3.693 -6.024 -4.027 1.00 0.00 C ATOM 509 C ILE A 34 4.832 -7.030 -4.154 1.00 0.00 C ATOM 510 O ILE A 34 4.659 -8.111 -4.719 1.00 0.00 O ATOM 511 CB ILE A 34 2.521 -6.685 -3.276 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.418 -5.660 -3.005 1.00 0.00 C ATOM 513 CG2 ILE A 34 3.008 -7.304 -1.974 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.036 -6.268 -2.920 1.00 0.00 C ATOM 0 H ILE A 34 2.479 -6.021 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 34 4.037 -5.159 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 34 2.109 -7.478 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.636 -5.142 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.428 -4.910 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.169 -7.767 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.763 -8.060 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.442 -6.529 -1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.695 -5.483 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.203 -6.762 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.009 -6.998 -2.111 1.00 0.00 H new ATOM 526 N TYR A 35 5.995 -6.669 -3.624 1.00 0.00 N ATOM 527 CA TYR A 35 7.163 -7.539 -3.679 1.00 0.00 C ATOM 528 C TYR A 35 7.127 -8.571 -2.556 1.00 0.00 C ATOM 529 O TYR A 35 7.368 -9.758 -2.779 1.00 0.00 O ATOM 530 CB TYR A 35 8.446 -6.712 -3.586 1.00 0.00 C ATOM 531 CG TYR A 35 8.604 -5.710 -4.707 1.00 0.00 C ATOM 532 CD1 TYR A 35 8.557 -6.112 -6.036 1.00 0.00 C ATOM 533 CD2 TYR A 35 8.799 -4.361 -4.437 1.00 0.00 C ATOM 534 CE1 TYR A 35 8.701 -5.200 -7.064 1.00 0.00 C ATOM 535 CE2 TYR A 35 8.943 -3.442 -5.458 1.00 0.00 C ATOM 536 CZ TYR A 35 8.894 -3.866 -6.770 1.00 0.00 C ATOM 537 OH TYR A 35 9.037 -2.954 -7.790 1.00 0.00 O ATOM 0 H TYR A 35 6.154 -5.779 -3.151 1.00 0.00 H new ATOM 0 HA TYR A 35 7.147 -8.066 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.459 -6.183 -2.633 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.303 -7.385 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.405 -7.155 -6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.839 -4.025 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.663 -5.530 -8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.093 -2.397 -5.231 1.00 0.00 H new ATOM 0 HH TYR A 35 8.534 -3.258 -8.574 1.00 0.00 H new ATOM 547 N LYS A 36 6.823 -8.110 -1.348 1.00 0.00 N ATOM 548 CA LYS A 36 6.752 -8.991 -0.188 1.00 0.00 C ATOM 549 C LYS A 36 5.541 -8.655 0.677 1.00 0.00 C ATOM 550 O LYS A 36 4.802 -7.715 0.387 1.00 0.00 O ATOM 551 CB LYS A 36 8.032 -8.878 0.643 1.00 0.00 C ATOM 552 CG LYS A 36 8.110 -7.608 1.472 1.00 0.00 C ATOM 553 CD LYS A 36 9.081 -7.757 2.631 1.00 0.00 C ATOM 554 CE LYS A 36 10.523 -7.599 2.174 1.00 0.00 C ATOM 555 NZ LYS A 36 11.467 -7.544 3.324 1.00 0.00 N ATOM 0 H LYS A 36 6.622 -7.131 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 36 6.648 -10.015 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.101 -9.740 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.893 -8.920 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.423 -6.778 0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.120 -7.361 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.856 -7.011 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.950 -8.735 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.791 -8.432 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.619 -6.689 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.439 -7.436 2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.228 -6.734 3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.395 -8.423 3.875 1.00 0.00 H new ATOM 569 N GLN A 37 5.347 -9.427 1.741 1.00 0.00 N ATOM 570 CA GLN A 37 4.226 -9.210 2.648 1.00 0.00 C ATOM 571 C GLN A 37 4.719 -8.900 4.058 1.00 0.00 C ATOM 572 O GLN A 37 5.146 -9.796 4.787 1.00 0.00 O ATOM 573 CB GLN A 37 3.316 -10.439 2.672 1.00 0.00 C ATOM 574 CG GLN A 37 2.084 -10.267 3.546 1.00 0.00 C ATOM 575 CD GLN A 37 1.274 -11.542 3.670 1.00 0.00 C ATOM 576 OE1 GLN A 37 1.795 -12.587 4.060 1.00 0.00 O ATOM 577 NE2 GLN A 37 -0.009 -11.463 3.338 1.00 0.00 N ATOM 0 H GLN A 37 5.951 -10.208 1.996 1.00 0.00 H new ATOM 0 HA GLN A 37 3.658 -8.354 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.000 -10.667 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.887 -11.297 3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.391 -9.938 4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.455 -9.480 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.400 -10.576 3.020 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.604 -12.289 3.401 1.00 0.00 H new ATOM 586 N ILE A 38 4.657 -7.628 4.435 1.00 0.00 N ATOM 587 CA ILE A 38 5.097 -7.201 5.757 1.00 0.00 C ATOM 588 C ILE A 38 4.427 -8.025 6.852 1.00 0.00 C ATOM 589 O ILE A 38 5.083 -8.795 7.552 1.00 0.00 O ATOM 590 CB ILE A 38 4.796 -5.709 5.996 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.398 -4.859 4.876 1.00 0.00 C ATOM 592 CG2 ILE A 38 5.335 -5.271 7.349 1.00 0.00 C ATOM 593 CD1 ILE A 38 6.880 -5.086 4.675 1.00 0.00 C ATOM 0 H ILE A 38 4.306 -6.875 3.843 1.00 0.00 H new ATOM 0 HA ILE A 38 6.175 -7.357 5.796 1.00 0.00 H new ATOM 0 HB ILE A 38 3.715 -5.566 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.876 -5.077 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.227 -3.806 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.115 -4.215 7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.863 -5.859 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.414 -5.425 7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.239 -4.451 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.414 -4.840 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.057 -6.131 4.421 1.00 0.00 H new ATOM 605 N ASP A 39 3.116 -7.858 6.991 1.00 0.00 N ATOM 606 CA ASP A 39 2.356 -8.589 7.999 1.00 0.00 C ATOM 607 C ASP A 39 1.141 -9.268 7.375 1.00 0.00 C ATOM 608 O ASP A 39 0.919 -9.177 6.168 1.00 0.00 O ATOM 609 CB ASP A 39 1.910 -7.644 9.116 1.00 0.00 C ATOM 610 CG ASP A 39 1.786 -8.348 10.454 1.00 0.00 C ATOM 611 OD1 ASP A 39 2.721 -9.089 10.822 1.00 0.00 O ATOM 612 OD2 ASP A 39 0.754 -8.157 11.131 1.00 0.00 O ATOM 0 H ASP A 39 2.558 -7.224 6.419 1.00 0.00 H new ATOM 0 HA ASP A 39 3.003 -9.358 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.625 -6.826 9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.950 -7.201 8.851 1.00 0.00 H new ATOM 617 N GLN A 40 0.359 -9.950 8.206 1.00 0.00 N ATOM 618 CA GLN A 40 -0.833 -10.646 7.735 1.00 0.00 C ATOM 619 C GLN A 40 -1.868 -9.658 7.208 1.00 0.00 C ATOM 620 O GLN A 40 -2.827 -10.046 6.542 1.00 0.00 O ATOM 621 CB GLN A 40 -1.438 -11.484 8.862 1.00 0.00 C ATOM 622 CG GLN A 40 -0.779 -12.843 9.031 1.00 0.00 C ATOM 623 CD GLN A 40 -1.307 -13.603 10.232 1.00 0.00 C ATOM 624 OE1 GLN A 40 -1.059 -13.226 11.378 1.00 0.00 O ATOM 625 NE2 GLN A 40 -2.041 -14.680 9.976 1.00 0.00 N ATOM 0 H GLN A 40 0.529 -10.035 9.208 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.539 -11.306 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.357 -10.931 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.501 -11.627 8.667 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.942 -13.436 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.298 -12.710 9.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.222 -14.956 9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.424 -15.231 10.744 1.00 0.00 H new ATOM 634 N ASN A 41 -1.666 -8.380 7.510 1.00 0.00 N ATOM 635 CA ASN A 41 -2.583 -7.336 7.067 1.00 0.00 C ATOM 636 C ASN A 41 -1.821 -6.173 6.439 1.00 0.00 C ATOM 637 O ASN A 41 -2.368 -5.085 6.258 1.00 0.00 O ATOM 638 CB ASN A 41 -3.424 -6.834 8.242 1.00 0.00 C ATOM 639 CG ASN A 41 -4.705 -7.627 8.417 1.00 0.00 C ATOM 640 OD1 ASN A 41 -4.730 -8.841 8.211 1.00 0.00 O ATOM 641 ND2 ASN A 41 -5.777 -6.943 8.799 1.00 0.00 N ATOM 0 H ASN A 41 -0.876 -8.042 8.059 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.244 -7.764 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.836 -6.893 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.669 -5.783 8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.667 -7.423 8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.710 -5.938 8.958 1.00 0.00 H new ATOM 648 N TRP A 42 -0.557 -6.410 6.111 1.00 0.00 N ATOM 649 CA TRP A 42 0.281 -5.382 5.503 1.00 0.00 C ATOM 650 C TRP A 42 1.017 -5.930 4.285 1.00 0.00 C ATOM 651 O TRP A 42 1.202 -7.140 4.152 1.00 0.00 O ATOM 652 CB TRP A 42 1.286 -4.845 6.523 1.00 0.00 C ATOM 653 CG TRP A 42 0.665 -3.950 7.553 1.00 0.00 C ATOM 654 CD1 TRP A 42 0.065 -4.334 8.718 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.583 -2.521 7.508 1.00 0.00 C ATOM 656 NE1 TRP A 42 -0.385 -3.230 9.400 1.00 0.00 N ATOM 657 CE2 TRP A 42 -0.079 -2.106 8.680 1.00 0.00 C ATOM 658 CE3 TRP A 42 1.006 -1.552 6.594 1.00 0.00 C ATOM 659 CZ2 TRP A 42 -0.328 -0.764 8.958 1.00 0.00 C ATOM 660 CZ3 TRP A 42 0.758 -0.222 6.872 1.00 0.00 C ATOM 661 CH2 TRP A 42 0.097 0.163 8.046 1.00 0.00 C ATOM 0 H TRP A 42 -0.089 -7.305 6.255 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.365 -4.567 5.177 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.768 -5.684 7.024 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.068 -4.296 5.998 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.040 -5.355 9.054 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.869 -3.245 10.298 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.517 -1.838 5.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.839 -0.466 9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.079 0.535 6.172 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.080 1.212 8.235 1.00 0.00 H new ATOM 672 N TYR A 43 1.437 -5.033 3.400 1.00 0.00 N ATOM 673 CA TYR A 43 2.152 -5.428 2.192 1.00 0.00 C ATOM 674 C TYR A 43 3.289 -4.456 1.890 1.00 0.00 C ATOM 675 O TYR A 43 3.491 -3.479 2.609 1.00 0.00 O ATOM 676 CB TYR A 43 1.191 -5.492 1.003 1.00 0.00 C ATOM 677 CG TYR A 43 0.442 -6.801 0.901 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.121 -8.013 0.864 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.946 -6.826 0.841 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.440 -9.211 0.769 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.636 -8.020 0.748 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.938 -9.209 0.712 1.00 0.00 C ATOM 683 OH TYR A 43 -1.620 -10.401 0.619 1.00 0.00 O ATOM 0 H TYR A 43 1.295 -4.028 3.496 1.00 0.00 H new ATOM 0 HA TYR A 43 2.578 -6.417 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.472 -4.677 1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.753 -5.332 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.200 -8.018 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.495 -5.896 0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.983 -10.144 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.715 -8.022 0.704 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.584 -10.225 0.590 1.00 0.00 H new ATOM 693 N GLU A 44 4.027 -4.734 0.820 1.00 0.00 N ATOM 694 CA GLU A 44 5.144 -3.885 0.422 1.00 0.00 C ATOM 695 C GLU A 44 5.290 -3.855 -1.097 1.00 0.00 C ATOM 696 O GLU A 44 5.422 -4.896 -1.739 1.00 0.00 O ATOM 697 CB GLU A 44 6.443 -4.380 1.061 1.00 0.00 C ATOM 698 CG GLU A 44 7.692 -3.761 0.458 1.00 0.00 C ATOM 699 CD GLU A 44 8.966 -4.421 0.949 1.00 0.00 C ATOM 700 OE1 GLU A 44 9.031 -4.769 2.146 1.00 0.00 O ATOM 701 OE2 GLU A 44 9.898 -4.589 0.135 1.00 0.00 O ATOM 0 H GLU A 44 3.872 -5.540 0.214 1.00 0.00 H new ATOM 0 HA GLU A 44 4.940 -2.872 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.419 -4.162 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.499 -5.464 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.643 -3.838 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.720 -2.699 0.701 1.00 0.00 H new ATOM 708 N GLY A 45 5.265 -2.653 -1.665 1.00 0.00 N ATOM 709 CA GLY A 45 5.396 -2.509 -3.103 1.00 0.00 C ATOM 710 C GLY A 45 6.036 -1.194 -3.499 1.00 0.00 C ATOM 711 O GLY A 45 6.502 -0.442 -2.643 1.00 0.00 O ATOM 0 H GLY A 45 5.156 -1.776 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.993 -3.332 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.411 -2.583 -3.563 1.00 0.00 H new ATOM 715 N GLU A 46 6.061 -0.916 -4.798 1.00 0.00 N ATOM 716 CA GLU A 46 6.652 0.317 -5.305 1.00 0.00 C ATOM 717 C GLU A 46 5.649 1.092 -6.154 1.00 0.00 C ATOM 718 O GLU A 46 4.820 0.503 -6.848 1.00 0.00 O ATOM 719 CB GLU A 46 7.903 0.008 -6.129 1.00 0.00 C ATOM 720 CG GLU A 46 8.407 1.192 -6.938 1.00 0.00 C ATOM 721 CD GLU A 46 9.422 0.789 -7.990 1.00 0.00 C ATOM 722 OE1 GLU A 46 10.422 0.134 -7.628 1.00 0.00 O ATOM 723 OE2 GLU A 46 9.218 1.130 -9.173 1.00 0.00 O ATOM 0 H GLU A 46 5.679 -1.528 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 46 6.932 0.934 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.695 -0.327 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.687 -0.818 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.563 1.682 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.857 1.922 -6.265 1.00 0.00 H new ATOM 730 N HIS A 47 5.730 2.418 -6.093 1.00 0.00 N ATOM 731 CA HIS A 47 4.830 3.275 -6.856 1.00 0.00 C ATOM 732 C HIS A 47 5.403 4.683 -6.988 1.00 0.00 C ATOM 733 O HIS A 47 5.736 5.325 -5.991 1.00 0.00 O ATOM 734 CB HIS A 47 3.456 3.331 -6.187 1.00 0.00 C ATOM 735 CG HIS A 47 2.475 4.205 -6.907 1.00 0.00 C ATOM 736 ND1 HIS A 47 2.625 5.572 -7.017 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.328 3.900 -7.556 1.00 0.00 C ATOM 738 CE1 HIS A 47 1.610 6.070 -7.701 1.00 0.00 C ATOM 739 NE2 HIS A 47 0.809 5.076 -8.040 1.00 0.00 N ATOM 0 H HIS A 47 6.410 2.922 -5.523 1.00 0.00 H new ATOM 0 HA HIS A 47 4.722 2.851 -7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.051 2.321 -6.122 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.573 3.694 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.900 2.915 -7.672 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.461 7.112 -7.942 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.055 5.167 -8.575 1.00 0.00 H new ATOM 748 N HIS A 48 5.515 5.157 -8.225 1.00 0.00 N ATOM 749 CA HIS A 48 6.048 6.490 -8.487 1.00 0.00 C ATOM 750 C HIS A 48 7.472 6.619 -7.957 1.00 0.00 C ATOM 751 O HIS A 48 7.826 7.622 -7.338 1.00 0.00 O ATOM 752 CB HIS A 48 5.155 7.554 -7.849 1.00 0.00 C ATOM 753 CG HIS A 48 5.338 8.920 -8.435 1.00 0.00 C ATOM 754 ND1 HIS A 48 4.969 10.076 -7.780 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.856 9.311 -9.622 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.251 11.119 -8.539 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.791 10.682 -9.663 1.00 0.00 N ATOM 0 H HIS A 48 5.244 4.639 -9.061 1.00 0.00 H new ATOM 0 HA HIS A 48 6.066 6.642 -9.566 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.112 7.256 -7.961 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.361 7.596 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.248 8.665 -10.394 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.071 12.153 -8.284 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.108 11.268 -10.435 1.00 0.00 H new ATOM 766 N GLY A 49 8.286 5.597 -8.204 1.00 0.00 N ATOM 767 CA GLY A 49 9.662 5.616 -7.743 1.00 0.00 C ATOM 768 C GLY A 49 9.768 5.647 -6.231 1.00 0.00 C ATOM 769 O GLY A 49 10.792 6.052 -5.682 1.00 0.00 O ATOM 0 H GLY A 49 8.017 4.756 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.181 4.736 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.168 6.488 -8.157 1.00 0.00 H new ATOM 773 N ARG A 50 8.705 5.219 -5.557 1.00 0.00 N ATOM 774 CA ARG A 50 8.681 5.202 -4.099 1.00 0.00 C ATOM 775 C ARG A 50 8.386 3.799 -3.577 1.00 0.00 C ATOM 776 O ARG A 50 7.595 3.060 -4.163 1.00 0.00 O ATOM 777 CB ARG A 50 7.633 6.185 -3.574 1.00 0.00 C ATOM 778 CG ARG A 50 7.614 6.302 -2.058 1.00 0.00 C ATOM 779 CD ARG A 50 8.607 7.344 -1.568 1.00 0.00 C ATOM 780 NE ARG A 50 8.361 7.723 -0.179 1.00 0.00 N ATOM 781 CZ ARG A 50 7.477 8.646 0.185 1.00 0.00 C ATOM 782 NH1 ARG A 50 6.759 9.279 -0.732 1.00 0.00 N ATOM 783 NH2 ARG A 50 7.310 8.936 1.469 1.00 0.00 N ATOM 0 H ARG A 50 7.850 4.880 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 50 9.665 5.505 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.822 7.169 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.648 5.871 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.611 6.569 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.851 5.335 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.620 6.953 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.546 8.229 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 50 8.897 7.254 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.884 9.058 -1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.081 9.987 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.860 8.450 2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.631 9.645 1.748 1.00 0.00 H new ATOM 797 N VAL A 51 9.028 3.438 -2.470 1.00 0.00 N ATOM 798 CA VAL A 51 8.835 2.125 -1.868 1.00 0.00 C ATOM 799 C VAL A 51 8.469 2.245 -0.393 1.00 0.00 C ATOM 800 O VAL A 51 8.980 3.112 0.315 1.00 0.00 O ATOM 801 CB VAL A 51 10.097 1.253 -2.004 1.00 0.00 C ATOM 802 CG1 VAL A 51 9.882 -0.105 -1.353 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.482 1.098 -3.467 1.00 0.00 C ATOM 0 H VAL A 51 9.686 4.037 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 51 8.015 1.649 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 51 10.918 1.750 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.785 -0.707 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.659 0.030 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.048 -0.613 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.376 0.479 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.664 0.624 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.682 2.080 -3.897 1.00 0.00 H new ATOM 813 N GLY A 52 7.581 1.367 0.065 1.00 0.00 N ATOM 814 CA GLY A 52 7.162 1.392 1.454 1.00 0.00 C ATOM 815 C GLY A 52 6.223 0.252 1.797 1.00 0.00 C ATOM 816 O GLY A 52 6.229 -0.786 1.134 1.00 0.00 O ATOM 0 H GLY A 52 7.145 0.639 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.041 1.340 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.669 2.341 1.664 1.00 0.00 H new ATOM 820 N ILE A 53 5.417 0.444 2.835 1.00 0.00 N ATOM 821 CA ILE A 53 4.469 -0.576 3.264 1.00 0.00 C ATOM 822 C ILE A 53 3.062 -0.001 3.393 1.00 0.00 C ATOM 823 O ILE A 53 2.888 1.182 3.686 1.00 0.00 O ATOM 824 CB ILE A 53 4.882 -1.198 4.611 1.00 0.00 C ATOM 825 CG1 ILE A 53 4.642 -0.205 5.751 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.342 -1.625 4.572 1.00 0.00 C ATOM 827 CD1 ILE A 53 4.753 -0.825 7.126 1.00 0.00 C ATOM 0 H ILE A 53 5.401 1.297 3.395 1.00 0.00 H new ATOM 0 HA ILE A 53 4.473 -1.352 2.498 1.00 0.00 H new ATOM 0 HB ILE A 53 4.270 -2.082 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.361 0.610 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.650 0.233 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.619 -2.063 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.484 -2.362 3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.970 -0.756 4.375 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.571 -0.063 7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.015 -1.621 7.227 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.753 -1.238 7.259 1.00 0.00 H new ATOM 839 N PHE A 54 2.061 -0.847 3.173 1.00 0.00 N ATOM 840 CA PHE A 54 0.668 -0.423 3.265 1.00 0.00 C ATOM 841 C PHE A 54 -0.234 -1.597 3.632 1.00 0.00 C ATOM 842 O PHE A 54 0.066 -2.756 3.347 1.00 0.00 O ATOM 843 CB PHE A 54 0.212 0.191 1.940 1.00 0.00 C ATOM 844 CG PHE A 54 0.739 -0.529 0.732 1.00 0.00 C ATOM 845 CD1 PHE A 54 1.984 -0.217 0.211 1.00 0.00 C ATOM 846 CD2 PHE A 54 -0.011 -1.520 0.118 1.00 0.00 C ATOM 847 CE1 PHE A 54 2.471 -0.877 -0.901 1.00 0.00 C ATOM 848 CE2 PHE A 54 0.471 -2.184 -0.994 1.00 0.00 C ATOM 849 CZ PHE A 54 1.715 -1.863 -1.503 1.00 0.00 C ATOM 0 H PHE A 54 2.188 -1.829 2.930 1.00 0.00 H new ATOM 0 HA PHE A 54 0.593 0.329 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.877 0.192 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.533 1.232 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.581 0.551 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.983 -1.776 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.442 -0.622 -1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.124 -2.953 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.095 -2.383 -2.370 1.00 0.00 H new ATOM 859 N PRO A 55 -1.367 -1.291 4.282 1.00 0.00 N ATOM 860 CA PRO A 55 -2.337 -2.306 4.703 1.00 0.00 C ATOM 861 C PRO A 55 -3.069 -2.934 3.522 1.00 0.00 C ATOM 862 O PRO A 55 -3.616 -2.230 2.673 1.00 0.00 O ATOM 863 CB PRO A 55 -3.314 -1.521 5.581 1.00 0.00 C ATOM 864 CG PRO A 55 -3.214 -0.116 5.096 1.00 0.00 C ATOM 865 CD PRO A 55 -1.788 0.070 4.655 1.00 0.00 C ATOM 0 HA PRO A 55 -1.857 -3.140 5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.330 -1.903 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.047 -1.596 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.904 0.062 4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.473 0.589 5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.714 0.759 3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.170 0.477 5.455 1.00 0.00 H new ATOM 873 N ARG A 56 -3.075 -4.262 3.474 1.00 0.00 N ATOM 874 CA ARG A 56 -3.739 -4.985 2.396 1.00 0.00 C ATOM 875 C ARG A 56 -5.215 -4.606 2.316 1.00 0.00 C ATOM 876 O ARG A 56 -5.868 -4.819 1.294 1.00 0.00 O ATOM 877 CB ARG A 56 -3.599 -6.494 2.603 1.00 0.00 C ATOM 878 CG ARG A 56 -4.194 -6.987 3.912 1.00 0.00 C ATOM 879 CD ARG A 56 -4.038 -8.492 4.063 1.00 0.00 C ATOM 880 NE ARG A 56 -4.990 -9.048 5.020 1.00 0.00 N ATOM 881 CZ ARG A 56 -5.130 -10.349 5.246 1.00 0.00 C ATOM 882 NH1 ARG A 56 -4.382 -11.224 4.588 1.00 0.00 N ATOM 883 NH2 ARG A 56 -6.019 -10.778 6.134 1.00 0.00 N ATOM 0 H ARG A 56 -2.627 -4.859 4.169 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.259 -4.708 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.084 -7.012 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.542 -6.760 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.706 -6.484 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.251 -6.724 3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.178 -8.970 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.023 -8.720 4.387 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.580 -8.402 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.697 -10.898 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.492 -12.223 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.595 -10.108 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.126 -11.778 6.307 1.00 0.00 H new ATOM 897 N THR A 57 -5.736 -4.043 3.402 1.00 0.00 N ATOM 898 CA THR A 57 -7.134 -3.636 3.456 1.00 0.00 C ATOM 899 C THR A 57 -7.387 -2.418 2.575 1.00 0.00 C ATOM 900 O THR A 57 -8.516 -2.168 2.154 1.00 0.00 O ATOM 901 CB THR A 57 -7.569 -3.312 4.898 1.00 0.00 C ATOM 902 OG1 THR A 57 -6.717 -2.303 5.452 1.00 0.00 O ATOM 903 CG2 THR A 57 -7.523 -4.557 5.770 1.00 0.00 C ATOM 0 H THR A 57 -5.210 -3.859 4.256 1.00 0.00 H new ATOM 0 HA THR A 57 -7.722 -4.476 3.087 1.00 0.00 H new ATOM 0 HB THR A 57 -8.595 -2.945 4.871 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.001 -2.102 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.834 -4.303 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.195 -5.312 5.362 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.506 -4.950 5.790 1.00 0.00 H new ATOM 911 N TYR A 58 -6.329 -1.664 2.299 1.00 0.00 N ATOM 912 CA TYR A 58 -6.437 -0.470 1.469 1.00 0.00 C ATOM 913 C TYR A 58 -6.264 -0.816 -0.007 1.00 0.00 C ATOM 914 O TYR A 58 -6.716 -0.080 -0.885 1.00 0.00 O ATOM 915 CB TYR A 58 -5.391 0.564 1.887 1.00 0.00 C ATOM 916 CG TYR A 58 -5.860 1.490 2.987 1.00 0.00 C ATOM 917 CD1 TYR A 58 -6.105 1.010 4.268 1.00 0.00 C ATOM 918 CD2 TYR A 58 -6.061 2.843 2.745 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.534 1.852 5.276 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.489 3.692 3.747 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.725 3.192 5.010 1.00 0.00 C ATOM 922 OH TYR A 58 -7.153 4.034 6.011 1.00 0.00 O ATOM 0 H TYR A 58 -5.387 -1.858 2.638 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.432 -0.048 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.492 0.045 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.113 1.159 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.958 -0.039 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.879 3.238 1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.719 1.463 6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.638 4.742 3.542 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.236 4.945 5.659 1.00 0.00 H new ATOM 932 N ILE A 59 -5.609 -1.941 -0.272 1.00 0.00 N ATOM 933 CA ILE A 59 -5.378 -2.386 -1.640 1.00 0.00 C ATOM 934 C ILE A 59 -6.061 -3.723 -1.906 1.00 0.00 C ATOM 935 O ILE A 59 -6.637 -4.327 -1.002 1.00 0.00 O ATOM 936 CB ILE A 59 -3.874 -2.521 -1.942 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.273 -3.680 -1.144 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.150 -1.221 -1.624 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.327 -5.006 -1.870 1.00 0.00 C ATOM 0 H ILE A 59 -5.229 -2.561 0.443 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.805 -1.626 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.750 -2.733 -3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.235 -3.447 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.804 -3.772 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.088 -1.333 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.563 -0.416 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.280 -0.981 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.884 -5.781 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.365 -5.262 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.771 -4.932 -2.805 1.00 0.00 H new ATOM 951 N GLU A 60 -5.990 -4.181 -3.152 1.00 0.00 N ATOM 952 CA GLU A 60 -6.600 -5.448 -3.537 1.00 0.00 C ATOM 953 C GLU A 60 -5.747 -6.171 -4.574 1.00 0.00 C ATOM 954 O GLU A 60 -5.227 -5.555 -5.506 1.00 0.00 O ATOM 955 CB GLU A 60 -8.007 -5.214 -4.091 1.00 0.00 C ATOM 956 CG GLU A 60 -8.034 -4.923 -5.582 1.00 0.00 C ATOM 957 CD GLU A 60 -8.151 -6.182 -6.419 1.00 0.00 C ATOM 958 OE1 GLU A 60 -7.840 -7.273 -5.897 1.00 0.00 O ATOM 959 OE2 GLU A 60 -8.554 -6.077 -7.597 1.00 0.00 O ATOM 0 H GLU A 60 -5.516 -3.693 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.667 -6.074 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.618 -6.094 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.464 -4.380 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.873 -4.264 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.126 -4.389 -5.861 1.00 0.00 H new ATOM 966 N LEU A 61 -5.606 -7.481 -4.407 1.00 0.00 N ATOM 967 CA LEU A 61 -4.815 -8.290 -5.328 1.00 0.00 C ATOM 968 C LEU A 61 -5.603 -8.597 -6.597 1.00 0.00 C ATOM 969 O LEU A 61 -6.496 -9.446 -6.596 1.00 0.00 O ATOM 970 CB LEU A 61 -4.385 -9.593 -4.653 1.00 0.00 C ATOM 971 CG LEU A 61 -3.259 -9.477 -3.625 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.272 -10.670 -2.682 1.00 0.00 C ATOM 973 CD2 LEU A 61 -1.911 -9.359 -4.321 1.00 0.00 C ATOM 0 H LEU A 61 -6.029 -8.006 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.927 -7.720 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.255 -10.028 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.072 -10.294 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.422 -8.574 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.464 -10.570 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.227 -10.709 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.135 -11.588 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.122 -9.277 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.740 -10.243 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.905 -8.472 -4.954 1.00 0.00 H new ATOM 985 N LEU A 62 -5.267 -7.903 -7.679 1.00 0.00 N ATOM 986 CA LEU A 62 -5.942 -8.103 -8.957 1.00 0.00 C ATOM 987 C LEU A 62 -5.858 -9.562 -9.394 1.00 0.00 C ATOM 988 O LEU A 62 -4.867 -10.243 -9.130 1.00 0.00 O ATOM 989 CB LEU A 62 -5.326 -7.201 -10.028 1.00 0.00 C ATOM 990 CG LEU A 62 -5.368 -5.699 -9.746 1.00 0.00 C ATOM 991 CD1 LEU A 62 -4.186 -5.000 -10.399 1.00 0.00 C ATOM 992 CD2 LEU A 62 -6.680 -5.101 -10.233 1.00 0.00 C ATOM 0 H LEU A 62 -4.531 -7.197 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.992 -7.841 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.286 -7.495 -10.168 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.840 -7.388 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.302 -5.549 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.233 -3.932 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.257 -5.408 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.220 -5.158 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.692 -4.031 -10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.777 -5.262 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.512 -5.581 -9.718 1.00 0.00 H new ATOM 1004 N SER A 63 -6.903 -10.034 -10.066 1.00 0.00 N ATOM 1005 CA SER A 63 -6.948 -11.412 -10.540 1.00 0.00 C ATOM 1006 C SER A 63 -5.964 -11.626 -11.686 1.00 0.00 C ATOM 1007 O SER A 63 -6.025 -10.942 -12.707 1.00 0.00 O ATOM 1008 CB SER A 63 -8.364 -11.771 -10.995 1.00 0.00 C ATOM 1009 OG SER A 63 -8.777 -10.949 -12.072 1.00 0.00 O ATOM 0 H SER A 63 -7.730 -9.482 -10.294 1.00 0.00 H new ATOM 0 HA SER A 63 -6.663 -12.063 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.398 -12.817 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.057 -11.659 -10.161 1.00 0.00 H new ATOM 0 HG SER A 63 -8.001 -10.721 -12.626 1.00 0.00 H new ATOM 1015 N GLY A 64 -5.056 -12.580 -11.507 1.00 0.00 N ATOM 1016 CA GLY A 64 -4.070 -12.868 -12.533 1.00 0.00 C ATOM 1017 C GLY A 64 -4.349 -14.171 -13.256 1.00 0.00 C ATOM 1018 O GLY A 64 -3.789 -15.218 -12.931 1.00 0.00 O ATOM 0 H GLY A 64 -4.985 -13.159 -10.670 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.053 -12.052 -13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.080 -12.913 -12.079 1.00 0.00 H new ATOM 1022 N PRO A 65 -5.235 -14.117 -14.262 1.00 0.00 N ATOM 1023 CA PRO A 65 -5.608 -15.293 -15.052 1.00 0.00 C ATOM 1024 C PRO A 65 -4.472 -15.773 -15.949 1.00 0.00 C ATOM 1025 O PRO A 65 -4.599 -16.784 -16.640 1.00 0.00 O ATOM 1026 CB PRO A 65 -6.783 -14.795 -15.898 1.00 0.00 C ATOM 1027 CG PRO A 65 -6.578 -13.323 -16.000 1.00 0.00 C ATOM 1028 CD PRO A 65 -5.941 -12.903 -14.704 1.00 0.00 C ATOM 0 HA PRO A 65 -5.852 -16.147 -14.420 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.789 -15.263 -16.882 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.738 -15.030 -15.427 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.938 -13.076 -16.847 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.525 -12.807 -16.155 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.255 -12.068 -14.846 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.686 -12.583 -13.975 1.00 0.00 H new ATOM 1036 N SER A 66 -3.362 -15.042 -15.933 1.00 0.00 N ATOM 1037 CA SER A 66 -2.204 -15.392 -16.747 1.00 0.00 C ATOM 1038 C SER A 66 -1.917 -16.888 -16.669 1.00 0.00 C ATOM 1039 O SER A 66 -1.476 -17.498 -17.643 1.00 0.00 O ATOM 1040 CB SER A 66 -0.977 -14.600 -16.293 1.00 0.00 C ATOM 1041 OG SER A 66 0.015 -14.571 -17.305 1.00 0.00 O ATOM 0 H SER A 66 -3.240 -14.204 -15.365 1.00 0.00 H new ATOM 0 HA SER A 66 -2.428 -15.137 -17.783 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.271 -13.582 -16.039 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.565 -15.048 -15.389 1.00 0.00 H new ATOM 0 HG SER A 66 0.788 -14.057 -16.991 1.00 0.00 H new ATOM 1047 N SER A 67 -2.169 -17.472 -15.502 1.00 0.00 N ATOM 1048 CA SER A 67 -1.934 -18.896 -15.293 1.00 0.00 C ATOM 1049 C SER A 67 -3.241 -19.625 -14.997 1.00 0.00 C ATOM 1050 O SER A 67 -4.054 -19.164 -14.198 1.00 0.00 O ATOM 1051 CB SER A 67 -0.946 -19.109 -14.144 1.00 0.00 C ATOM 1052 OG SER A 67 -0.218 -20.312 -14.314 1.00 0.00 O ATOM 0 H SER A 67 -2.536 -16.981 -14.687 1.00 0.00 H new ATOM 0 HA SER A 67 -1.509 -19.307 -16.209 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.256 -18.267 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.485 -19.137 -13.197 1.00 0.00 H new ATOM 0 HG SER A 67 0.407 -20.424 -13.568 1.00 0.00 H new ATOM 1058 N GLY A 68 -3.435 -20.768 -15.649 1.00 0.00 N ATOM 1059 CA GLY A 68 -4.645 -21.543 -15.443 1.00 0.00 C ATOM 1060 C GLY A 68 -5.756 -21.147 -16.395 1.00 0.00 C ATOM 1061 O GLY A 68 -6.816 -20.690 -15.967 1.00 0.00 O ATOM 0 H GLY A 68 -2.776 -21.171 -16.316 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.421 -22.602 -15.571 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.986 -21.412 -14.416 1.00 0.00 H new TER 1065 GLY A 68