USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=15 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 Single : A 1 GLY N :NH3+ -95:sc= 0.0457 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0351 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0394 X(o=-0.039,f=-0.039) 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 K(o=0,f=-1.9) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.0607 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0.069 (180deg=-0.0841) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.3!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.271! C(o=-0.27!,f=-4.2!) USER MOD Single : A 48 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.78) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 42:sc= 0.881 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 14.190 -11.714 -16.148 1.00 0.00 N ATOM 2 CA GLY A 1 14.702 -13.025 -15.794 1.00 0.00 C ATOM 3 C GLY A 1 13.943 -13.652 -14.641 1.00 0.00 C ATOM 4 O GLY A 1 13.317 -12.950 -13.846 1.00 0.00 O ATOM 0 H1 GLY A 1 13.507 -11.807 -16.927 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.719 -11.291 -15.323 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.977 -11.104 -16.449 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.644 -13.681 -16.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.756 -12.941 -15.528 1.00 0.00 H new ATOM 8 N SER A 2 13.997 -14.977 -14.550 1.00 0.00 N ATOM 9 CA SER A 2 13.305 -15.699 -13.489 1.00 0.00 C ATOM 10 C SER A 2 14.276 -16.104 -12.384 1.00 0.00 C ATOM 11 O SER A 2 14.989 -17.100 -12.505 1.00 0.00 O ATOM 12 CB SER A 2 12.612 -16.940 -14.055 1.00 0.00 C ATOM 13 OG SER A 2 11.454 -16.586 -14.792 1.00 0.00 O ATOM 0 H SER A 2 14.513 -15.572 -15.198 1.00 0.00 H new ATOM 0 HA SER A 2 12.553 -15.035 -13.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.303 -17.485 -14.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.338 -17.611 -13.241 1.00 0.00 H new ATOM 0 HG SER A 2 11.030 -17.396 -15.145 1.00 0.00 H new ATOM 19 N SER A 3 14.298 -15.324 -11.308 1.00 0.00 N ATOM 20 CA SER A 3 15.184 -15.598 -10.183 1.00 0.00 C ATOM 21 C SER A 3 14.398 -16.138 -8.992 1.00 0.00 C ATOM 22 O SER A 3 14.746 -17.171 -8.421 1.00 0.00 O ATOM 23 CB SER A 3 15.937 -14.330 -9.779 1.00 0.00 C ATOM 24 OG SER A 3 15.038 -13.271 -9.495 1.00 0.00 O ATOM 0 H SER A 3 13.712 -14.497 -11.192 1.00 0.00 H new ATOM 0 HA SER A 3 15.904 -16.355 -10.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.553 -14.533 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.612 -14.033 -10.582 1.00 0.00 H new ATOM 0 HG SER A 3 15.544 -12.472 -9.238 1.00 0.00 H new ATOM 30 N GLY A 4 13.335 -15.430 -8.622 1.00 0.00 N ATOM 31 CA GLY A 4 12.516 -15.852 -7.501 1.00 0.00 C ATOM 32 C GLY A 4 11.135 -15.227 -7.524 1.00 0.00 C ATOM 33 O GLY A 4 10.619 -14.885 -8.588 1.00 0.00 O ATOM 0 H GLY A 4 13.027 -14.572 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.420 -16.938 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.016 -15.587 -6.570 1.00 0.00 H new ATOM 37 N SER A 5 10.534 -15.080 -6.348 1.00 0.00 N ATOM 38 CA SER A 5 9.202 -14.497 -6.238 1.00 0.00 C ATOM 39 C SER A 5 9.158 -13.116 -6.884 1.00 0.00 C ATOM 40 O SER A 5 9.958 -12.240 -6.558 1.00 0.00 O ATOM 41 CB SER A 5 8.785 -14.399 -4.769 1.00 0.00 C ATOM 42 OG SER A 5 7.463 -13.903 -4.646 1.00 0.00 O ATOM 0 H SER A 5 10.948 -15.357 -5.458 1.00 0.00 H new ATOM 0 HA SER A 5 8.503 -15.147 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.853 -15.382 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.474 -13.744 -4.235 1.00 0.00 H new ATOM 0 HG SER A 5 7.220 -13.851 -3.698 1.00 0.00 H new ATOM 48 N SER A 6 8.216 -12.930 -7.804 1.00 0.00 N ATOM 49 CA SER A 6 8.069 -11.657 -8.500 1.00 0.00 C ATOM 50 C SER A 6 6.906 -10.855 -7.925 1.00 0.00 C ATOM 51 O SER A 6 6.000 -11.410 -7.305 1.00 0.00 O ATOM 52 CB SER A 6 7.851 -11.892 -9.996 1.00 0.00 C ATOM 53 OG SER A 6 8.936 -12.606 -10.563 1.00 0.00 O ATOM 0 H SER A 6 7.544 -13.644 -8.084 1.00 0.00 H new ATOM 0 HA SER A 6 8.987 -11.086 -8.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.926 -12.448 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.736 -10.935 -10.505 1.00 0.00 H new ATOM 0 HG SER A 6 8.772 -12.745 -11.519 1.00 0.00 H new ATOM 59 N GLY A 7 6.938 -9.542 -8.137 1.00 0.00 N ATOM 60 CA GLY A 7 5.882 -8.684 -7.634 1.00 0.00 C ATOM 61 C GLY A 7 4.510 -9.104 -8.123 1.00 0.00 C ATOM 62 O GLY A 7 4.393 -9.861 -9.087 1.00 0.00 O ATOM 0 H GLY A 7 7.676 -9.058 -8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.896 -8.698 -6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.075 -7.657 -7.942 1.00 0.00 H new ATOM 66 N ARG A 8 3.470 -8.614 -7.457 1.00 0.00 N ATOM 67 CA ARG A 8 2.100 -8.946 -7.828 1.00 0.00 C ATOM 68 C ARG A 8 1.260 -7.683 -7.992 1.00 0.00 C ATOM 69 O ARG A 8 1.421 -6.702 -7.266 1.00 0.00 O ATOM 70 CB ARG A 8 1.470 -9.856 -6.772 1.00 0.00 C ATOM 71 CG ARG A 8 1.870 -11.316 -6.910 1.00 0.00 C ATOM 72 CD ARG A 8 1.878 -12.021 -5.562 1.00 0.00 C ATOM 73 NE ARG A 8 2.960 -11.548 -4.703 1.00 0.00 N ATOM 74 CZ ARG A 8 2.975 -11.708 -3.384 1.00 0.00 C ATOM 75 NH1 ARG A 8 1.971 -12.326 -2.777 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.995 -11.249 -2.671 1.00 0.00 N ATOM 0 H ARG A 8 3.550 -7.986 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 8 2.126 -9.471 -8.783 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.756 -9.502 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.385 -9.777 -6.837 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.177 -11.822 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.859 -11.382 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.922 -11.860 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.980 -13.095 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 8 3.747 -11.069 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.185 -12.680 -3.323 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.985 -12.448 -1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.768 -10.773 -3.135 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.006 -11.372 -1.659 1.00 0.00 H new ATOM 90 N PRO A 9 0.343 -7.705 -8.970 1.00 0.00 N ATOM 91 CA PRO A 9 -0.541 -6.570 -9.253 1.00 0.00 C ATOM 92 C PRO A 9 -1.575 -6.352 -8.154 1.00 0.00 C ATOM 93 O PRO A 9 -2.073 -7.307 -7.560 1.00 0.00 O ATOM 94 CB PRO A 9 -1.227 -6.972 -10.561 1.00 0.00 C ATOM 95 CG PRO A 9 -1.181 -8.461 -10.571 1.00 0.00 C ATOM 96 CD PRO A 9 0.096 -8.840 -9.875 1.00 0.00 C ATOM 0 HA PRO A 9 0.009 -5.631 -9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.254 -6.607 -10.598 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.709 -6.554 -11.424 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.045 -8.882 -10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.199 -8.845 -11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.008 -9.776 -9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.914 -8.975 -10.582 1.00 0.00 H new ATOM 104 N ALA A 10 -1.893 -5.089 -7.890 1.00 0.00 N ATOM 105 CA ALA A 10 -2.870 -4.746 -6.864 1.00 0.00 C ATOM 106 C ALA A 10 -3.442 -3.351 -7.094 1.00 0.00 C ATOM 107 O ALA A 10 -2.703 -2.404 -7.360 1.00 0.00 O ATOM 108 CB ALA A 10 -2.240 -4.839 -5.482 1.00 0.00 C ATOM 0 H ALA A 10 -1.488 -4.287 -8.372 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.690 -5.461 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.981 -4.580 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.887 -5.856 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.400 -4.148 -5.418 1.00 0.00 H new ATOM 114 N ARG A 11 -4.762 -3.233 -6.990 1.00 0.00 N ATOM 115 CA ARG A 11 -5.432 -1.954 -7.189 1.00 0.00 C ATOM 116 C ARG A 11 -5.805 -1.321 -5.851 1.00 0.00 C ATOM 117 O ARG A 11 -6.409 -1.967 -4.995 1.00 0.00 O ATOM 118 CB ARG A 11 -6.687 -2.139 -8.045 1.00 0.00 C ATOM 119 CG ARG A 11 -7.219 -0.843 -8.634 1.00 0.00 C ATOM 120 CD ARG A 11 -8.671 -0.981 -9.064 1.00 0.00 C ATOM 121 NE ARG A 11 -9.343 0.312 -9.144 1.00 0.00 N ATOM 122 CZ ARG A 11 -9.595 1.076 -8.086 1.00 0.00 C ATOM 123 NH1 ARG A 11 -9.231 0.678 -6.875 1.00 0.00 N ATOM 124 NH2 ARG A 11 -10.211 2.241 -8.239 1.00 0.00 N ATOM 0 H ARG A 11 -5.388 -4.007 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.742 -1.288 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.464 -2.832 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.466 -2.599 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.131 -0.044 -7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.610 -0.555 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.716 -1.474 -10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.199 -1.621 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.635 0.648 -10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.756 -0.217 -6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.426 1.266 -6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.492 2.551 -9.169 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.404 2.826 -7.426 1.00 0.00 H new ATOM 138 N ALA A 12 -5.439 -0.055 -5.679 1.00 0.00 N ATOM 139 CA ALA A 12 -5.736 0.664 -4.447 1.00 0.00 C ATOM 140 C ALA A 12 -7.213 1.033 -4.369 1.00 0.00 C ATOM 141 O ALA A 12 -7.700 1.859 -5.141 1.00 0.00 O ATOM 142 CB ALA A 12 -4.872 1.913 -4.343 1.00 0.00 C ATOM 0 H ALA A 12 -4.937 0.493 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.508 0.006 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.105 2.440 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.820 1.629 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.072 2.566 -5.193 1.00 0.00 H new ATOM 148 N LYS A 13 -7.924 0.415 -3.431 1.00 0.00 N ATOM 149 CA LYS A 13 -9.347 0.679 -3.251 1.00 0.00 C ATOM 150 C LYS A 13 -9.572 2.062 -2.650 1.00 0.00 C ATOM 151 O LYS A 13 -10.547 2.740 -2.976 1.00 0.00 O ATOM 152 CB LYS A 13 -9.974 -0.389 -2.351 1.00 0.00 C ATOM 153 CG LYS A 13 -9.988 -1.775 -2.971 1.00 0.00 C ATOM 154 CD LYS A 13 -11.248 -2.007 -3.789 1.00 0.00 C ATOM 155 CE LYS A 13 -12.454 -2.255 -2.897 1.00 0.00 C ATOM 156 NZ LYS A 13 -13.730 -2.212 -3.664 1.00 0.00 N ATOM 0 H LYS A 13 -7.538 -0.272 -2.784 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.824 0.647 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.425 -0.427 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.997 -0.096 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.112 -1.899 -3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.920 -2.527 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.436 -1.141 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.102 -2.861 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.354 -3.226 -2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.481 -1.506 -2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.528 -2.386 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.838 -1.277 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.716 -2.944 -4.403 1.00 0.00 H new ATOM 170 N PHE A 14 -8.665 2.476 -1.771 1.00 0.00 N ATOM 171 CA PHE A 14 -8.765 3.779 -1.125 1.00 0.00 C ATOM 172 C PHE A 14 -7.452 4.548 -1.244 1.00 0.00 C ATOM 173 O PHE A 14 -6.448 4.013 -1.715 1.00 0.00 O ATOM 174 CB PHE A 14 -9.140 3.613 0.349 1.00 0.00 C ATOM 175 CG PHE A 14 -10.268 2.648 0.576 1.00 0.00 C ATOM 176 CD1 PHE A 14 -10.053 1.281 0.501 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.543 3.107 0.865 1.00 0.00 C ATOM 178 CE1 PHE A 14 -11.089 0.390 0.710 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.582 2.221 1.075 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.355 0.861 0.996 1.00 0.00 C ATOM 0 H PHE A 14 -7.852 1.927 -1.490 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.546 4.348 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.265 3.273 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.417 4.585 0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.065 0.908 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.727 4.169 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.908 -0.673 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.571 2.592 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.167 0.167 1.158 1.00 0.00 H new ATOM 190 N ASP A 15 -7.469 5.805 -0.816 1.00 0.00 N ATOM 191 CA ASP A 15 -6.281 6.648 -0.873 1.00 0.00 C ATOM 192 C ASP A 15 -5.485 6.555 0.424 1.00 0.00 C ATOM 193 O ASP A 15 -5.912 7.056 1.464 1.00 0.00 O ATOM 194 CB ASP A 15 -6.673 8.102 -1.142 1.00 0.00 C ATOM 195 CG ASP A 15 -7.954 8.496 -0.433 1.00 0.00 C ATOM 196 OD1 ASP A 15 -7.983 8.440 0.814 1.00 0.00 O ATOM 197 OD2 ASP A 15 -8.927 8.861 -1.126 1.00 0.00 O ATOM 0 H ASP A 15 -8.293 6.263 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.653 6.292 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.865 8.759 -0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.795 8.250 -2.215 1.00 0.00 H new ATOM 202 N PHE A 16 -4.325 5.909 0.356 1.00 0.00 N ATOM 203 CA PHE A 16 -3.470 5.748 1.527 1.00 0.00 C ATOM 204 C PHE A 16 -2.482 6.905 1.641 1.00 0.00 C ATOM 205 O PHE A 16 -1.962 7.395 0.638 1.00 0.00 O ATOM 206 CB PHE A 16 -2.712 4.421 1.452 1.00 0.00 C ATOM 207 CG PHE A 16 -1.887 4.132 2.674 1.00 0.00 C ATOM 208 CD1 PHE A 16 -0.618 4.670 2.812 1.00 0.00 C ATOM 209 CD2 PHE A 16 -2.381 3.323 3.684 1.00 0.00 C ATOM 210 CE1 PHE A 16 0.143 4.405 3.935 1.00 0.00 C ATOM 211 CE2 PHE A 16 -1.625 3.054 4.809 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.361 3.598 4.935 1.00 0.00 C ATOM 0 H PHE A 16 -3.956 5.489 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.105 5.746 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.427 3.611 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.061 4.433 0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.219 5.303 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.369 2.897 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.132 4.829 4.030 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.021 2.420 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.231 3.392 5.814 1.00 0.00 H new ATOM 222 N LYS A 17 -2.227 7.338 2.871 1.00 0.00 N ATOM 223 CA LYS A 17 -1.301 8.436 3.120 1.00 0.00 C ATOM 224 C LYS A 17 -0.097 7.961 3.926 1.00 0.00 C ATOM 225 O LYS A 17 -0.237 7.512 5.063 1.00 0.00 O ATOM 226 CB LYS A 17 -2.011 9.570 3.864 1.00 0.00 C ATOM 227 CG LYS A 17 -3.004 10.334 3.005 1.00 0.00 C ATOM 228 CD LYS A 17 -3.716 11.413 3.803 1.00 0.00 C ATOM 229 CE LYS A 17 -4.972 10.875 4.472 1.00 0.00 C ATOM 230 NZ LYS A 17 -5.745 11.953 5.148 1.00 0.00 N ATOM 0 H LYS A 17 -2.649 6.945 3.712 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.948 8.806 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.533 9.156 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.264 10.266 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.484 10.788 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.738 9.642 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.041 11.812 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.979 12.240 3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.601 10.390 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.697 10.113 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.593 11.546 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.153 12.399 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.029 12.668 4.448 1.00 0.00 H new ATOM 244 N ALA A 18 1.087 8.065 3.329 1.00 0.00 N ATOM 245 CA ALA A 18 2.316 7.649 3.993 1.00 0.00 C ATOM 246 C ALA A 18 2.888 8.776 4.846 1.00 0.00 C ATOM 247 O ALA A 18 3.392 9.768 4.321 1.00 0.00 O ATOM 248 CB ALA A 18 3.340 7.189 2.967 1.00 0.00 C ATOM 0 H ALA A 18 1.220 8.434 2.387 1.00 0.00 H new ATOM 0 HA ALA A 18 2.079 6.814 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.253 6.881 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.938 6.347 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.564 8.009 2.284 1.00 0.00 H new ATOM 254 N GLN A 19 2.805 8.616 6.163 1.00 0.00 N ATOM 255 CA GLN A 19 3.313 9.622 7.088 1.00 0.00 C ATOM 256 C GLN A 19 4.832 9.725 6.999 1.00 0.00 C ATOM 257 O GLN A 19 5.394 10.821 7.019 1.00 0.00 O ATOM 258 CB GLN A 19 2.896 9.286 8.520 1.00 0.00 C ATOM 259 CG GLN A 19 1.396 9.374 8.754 1.00 0.00 C ATOM 260 CD GLN A 19 0.881 10.799 8.708 1.00 0.00 C ATOM 261 OE1 GLN A 19 1.258 11.634 9.531 1.00 0.00 O ATOM 262 NE2 GLN A 19 0.014 11.085 7.744 1.00 0.00 N ATOM 0 H GLN A 19 2.391 7.800 6.613 1.00 0.00 H new ATOM 0 HA GLN A 19 2.885 10.585 6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.234 8.278 8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.403 9.965 9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 19 0.879 8.780 8.000 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.157 8.936 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.271 10.362 7.083 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.367 12.028 7.664 1.00 0.00 H new ATOM 271 N THR A 20 5.494 8.576 6.901 1.00 0.00 N ATOM 272 CA THR A 20 6.948 8.536 6.810 1.00 0.00 C ATOM 273 C THR A 20 7.404 7.585 5.710 1.00 0.00 C ATOM 274 O THR A 20 6.611 6.807 5.179 1.00 0.00 O ATOM 275 CB THR A 20 7.582 8.101 8.145 1.00 0.00 C ATOM 276 OG1 THR A 20 7.069 6.823 8.538 1.00 0.00 O ATOM 277 CG2 THR A 20 7.301 9.123 9.236 1.00 0.00 C ATOM 0 H THR A 20 5.045 7.660 6.883 1.00 0.00 H new ATOM 0 HA THR A 20 7.278 9.547 6.572 1.00 0.00 H new ATOM 0 HB THR A 20 8.661 8.031 8.004 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.478 6.553 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.758 8.794 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.719 10.088 8.947 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.224 9.221 9.375 1.00 0.00 H new ATOM 285 N LEU A 21 8.687 7.652 5.372 1.00 0.00 N ATOM 286 CA LEU A 21 9.250 6.795 4.334 1.00 0.00 C ATOM 287 C LEU A 21 8.825 5.344 4.535 1.00 0.00 C ATOM 288 O LEU A 21 8.371 4.683 3.601 1.00 0.00 O ATOM 289 CB LEU A 21 10.777 6.895 4.335 1.00 0.00 C ATOM 290 CG LEU A 21 11.477 6.489 3.038 1.00 0.00 C ATOM 291 CD1 LEU A 21 12.805 7.218 2.897 1.00 0.00 C ATOM 292 CD2 LEU A 21 11.687 4.982 2.995 1.00 0.00 C ATOM 0 H LEU A 21 9.357 8.290 5.801 1.00 0.00 H new ATOM 0 HA LEU A 21 8.870 7.136 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.054 7.923 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.161 6.272 5.142 1.00 0.00 H new ATOM 0 HG LEU A 21 10.840 6.772 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.289 6.916 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.630 8.294 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.449 6.967 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.186 4.711 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.303 4.676 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.722 4.478 3.049 1.00 0.00 H new ATOM 304 N LYS A 22 8.972 4.854 5.762 1.00 0.00 N ATOM 305 CA LYS A 22 8.599 3.483 6.088 1.00 0.00 C ATOM 306 C LYS A 22 7.333 3.071 5.343 1.00 0.00 C ATOM 307 O LYS A 22 7.228 1.946 4.856 1.00 0.00 O ATOM 308 CB LYS A 22 8.387 3.335 7.596 1.00 0.00 C ATOM 309 CG LYS A 22 8.720 1.951 8.125 1.00 0.00 C ATOM 310 CD LYS A 22 7.523 1.019 8.040 1.00 0.00 C ATOM 311 CE LYS A 22 7.726 -0.228 8.886 1.00 0.00 C ATOM 312 NZ LYS A 22 7.238 -0.038 10.280 1.00 0.00 N ATOM 0 H LYS A 22 9.347 5.387 6.547 1.00 0.00 H new ATOM 0 HA LYS A 22 9.412 2.828 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.002 4.070 8.115 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.348 3.565 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.549 1.532 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.051 2.026 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.628 1.544 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.357 0.732 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.201 -1.067 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.785 -0.486 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.394 -0.910 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.756 0.746 10.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.222 0.183 10.265 1.00 0.00 H new ATOM 326 N GLU A 23 6.376 3.990 5.259 1.00 0.00 N ATOM 327 CA GLU A 23 5.118 3.720 4.572 1.00 0.00 C ATOM 328 C GLU A 23 5.111 4.350 3.182 1.00 0.00 C ATOM 329 O GLU A 23 5.855 5.294 2.912 1.00 0.00 O ATOM 330 CB GLU A 23 3.941 4.252 5.392 1.00 0.00 C ATOM 331 CG GLU A 23 3.490 3.308 6.493 1.00 0.00 C ATOM 332 CD GLU A 23 2.476 3.941 7.426 1.00 0.00 C ATOM 333 OE1 GLU A 23 2.549 5.169 7.637 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.608 3.207 7.943 1.00 0.00 O ATOM 0 H GLU A 23 6.447 4.926 5.657 1.00 0.00 H new ATOM 0 HA GLU A 23 5.017 2.640 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.221 5.207 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.102 4.445 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.057 2.414 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.358 2.987 7.069 1.00 0.00 H new ATOM 341 N LEU A 24 4.266 3.822 2.304 1.00 0.00 N ATOM 342 CA LEU A 24 4.161 4.331 0.941 1.00 0.00 C ATOM 343 C LEU A 24 2.739 4.794 0.641 1.00 0.00 C ATOM 344 O LEU A 24 1.760 4.114 0.951 1.00 0.00 O ATOM 345 CB LEU A 24 4.582 3.254 -0.060 1.00 0.00 C ATOM 346 CG LEU A 24 4.326 3.572 -1.534 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.471 4.391 -2.110 1.00 0.00 C ATOM 348 CD2 LEU A 24 4.133 2.290 -2.331 1.00 0.00 C ATOM 0 H LEU A 24 3.643 3.041 2.511 1.00 0.00 H new ATOM 0 HA LEU A 24 4.829 5.187 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.647 3.062 0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.059 2.331 0.188 1.00 0.00 H new ATOM 0 HG LEU A 24 3.412 4.162 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.271 4.608 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.563 5.326 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.400 3.827 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.952 2.536 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.029 1.674 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.279 1.740 -1.935 1.00 0.00 H new ATOM 360 N PRO A 25 2.620 5.977 0.020 1.00 0.00 N ATOM 361 CA PRO A 25 1.322 6.555 -0.339 1.00 0.00 C ATOM 362 C PRO A 25 0.635 5.786 -1.462 1.00 0.00 C ATOM 363 O PRO A 25 1.294 5.161 -2.294 1.00 0.00 O ATOM 364 CB PRO A 25 1.680 7.970 -0.801 1.00 0.00 C ATOM 365 CG PRO A 25 3.094 7.873 -1.259 1.00 0.00 C ATOM 366 CD PRO A 25 3.744 6.840 -0.380 1.00 0.00 C ATOM 0 HA PRO A 25 0.620 6.528 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.025 8.301 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.575 8.690 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.145 7.581 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.600 8.835 -1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.510 6.280 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.229 7.295 0.484 1.00 0.00 H new ATOM 374 N LEU A 26 -0.692 5.836 -1.481 1.00 0.00 N ATOM 375 CA LEU A 26 -1.470 5.144 -2.503 1.00 0.00 C ATOM 376 C LEU A 26 -2.715 5.943 -2.874 1.00 0.00 C ATOM 377 O LEU A 26 -3.484 6.350 -2.004 1.00 0.00 O ATOM 378 CB LEU A 26 -1.870 3.752 -2.012 1.00 0.00 C ATOM 379 CG LEU A 26 -0.740 2.887 -1.452 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.290 1.858 -0.477 1.00 0.00 C ATOM 381 CD2 LEU A 26 0.018 2.204 -2.580 1.00 0.00 C ATOM 0 H LEU A 26 -1.252 6.349 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.848 5.043 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.630 3.866 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.334 3.216 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.046 3.533 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.472 1.251 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.787 2.368 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.006 1.216 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.818 1.593 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.665 1.570 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.445 2.959 -3.241 1.00 0.00 H new ATOM 393 N GLN A 27 -2.908 6.161 -4.171 1.00 0.00 N ATOM 394 CA GLN A 27 -4.061 6.909 -4.657 1.00 0.00 C ATOM 395 C GLN A 27 -5.173 5.967 -5.104 1.00 0.00 C ATOM 396 O GLN A 27 -4.911 4.902 -5.665 1.00 0.00 O ATOM 397 CB GLN A 27 -3.653 7.822 -5.815 1.00 0.00 C ATOM 398 CG GLN A 27 -4.833 8.423 -6.561 1.00 0.00 C ATOM 399 CD GLN A 27 -5.407 9.639 -5.862 1.00 0.00 C ATOM 400 OE1 GLN A 27 -5.107 9.898 -4.696 1.00 0.00 O ATOM 401 NE2 GLN A 27 -6.237 10.394 -6.572 1.00 0.00 N ATOM 0 H GLN A 27 -2.281 5.830 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.437 7.521 -3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.029 8.628 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.042 7.254 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.518 8.702 -7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.612 7.669 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.458 10.142 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.654 11.226 -6.154 1.00 0.00 H new ATOM 410 N LYS A 28 -6.416 6.364 -4.852 1.00 0.00 N ATOM 411 CA LYS A 28 -7.569 5.555 -5.229 1.00 0.00 C ATOM 412 C LYS A 28 -7.516 5.188 -6.709 1.00 0.00 C ATOM 413 O LYS A 28 -7.665 6.047 -7.577 1.00 0.00 O ATOM 414 CB LYS A 28 -8.866 6.308 -4.926 1.00 0.00 C ATOM 415 CG LYS A 28 -10.118 5.479 -5.154 1.00 0.00 C ATOM 416 CD LYS A 28 -11.361 6.197 -4.655 1.00 0.00 C ATOM 417 CE LYS A 28 -12.561 5.263 -4.602 1.00 0.00 C ATOM 418 NZ LYS A 28 -13.559 5.699 -3.587 1.00 0.00 N ATOM 0 H LYS A 28 -6.651 7.242 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.544 4.636 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.847 6.645 -3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.913 7.200 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.224 5.263 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.020 4.522 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.173 6.606 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.583 7.040 -5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.034 5.224 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.225 4.253 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.361 5.037 -3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.115 5.712 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.899 6.653 -3.822 1.00 0.00 H new ATOM 432 N GLY A 29 -7.303 3.906 -6.988 1.00 0.00 N ATOM 433 CA GLY A 29 -7.236 3.448 -8.364 1.00 0.00 C ATOM 434 C GLY A 29 -5.818 3.430 -8.900 1.00 0.00 C ATOM 435 O GLY A 29 -5.585 3.747 -10.067 1.00 0.00 O ATOM 0 H GLY A 29 -7.176 3.176 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.659 2.446 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.850 4.096 -8.990 1.00 0.00 H new ATOM 439 N ASP A 30 -4.869 3.062 -8.047 1.00 0.00 N ATOM 440 CA ASP A 30 -3.466 3.006 -8.442 1.00 0.00 C ATOM 441 C ASP A 30 -2.967 1.565 -8.468 1.00 0.00 C ATOM 442 O ASP A 30 -3.124 0.825 -7.496 1.00 0.00 O ATOM 443 CB ASP A 30 -2.611 3.837 -7.484 1.00 0.00 C ATOM 444 CG ASP A 30 -2.651 5.317 -7.810 1.00 0.00 C ATOM 445 OD1 ASP A 30 -3.742 5.821 -8.151 1.00 0.00 O ATOM 446 OD2 ASP A 30 -1.591 5.972 -7.722 1.00 0.00 O ATOM 0 H ASP A 30 -5.045 2.798 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.380 3.420 -9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.960 3.683 -6.463 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.580 3.486 -7.524 1.00 0.00 H new ATOM 451 N ILE A 31 -2.366 1.173 -9.587 1.00 0.00 N ATOM 452 CA ILE A 31 -1.844 -0.180 -9.739 1.00 0.00 C ATOM 453 C ILE A 31 -0.412 -0.278 -9.224 1.00 0.00 C ATOM 454 O ILE A 31 0.509 0.294 -9.807 1.00 0.00 O ATOM 455 CB ILE A 31 -1.881 -0.635 -11.210 1.00 0.00 C ATOM 456 CG1 ILE A 31 -3.300 -0.514 -11.769 1.00 0.00 C ATOM 457 CG2 ILE A 31 -1.377 -2.065 -11.335 1.00 0.00 C ATOM 458 CD1 ILE A 31 -4.281 -1.480 -11.142 1.00 0.00 C ATOM 0 H ILE A 31 -2.229 1.772 -10.401 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.485 -0.834 -9.148 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.225 0.013 -11.792 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.657 0.504 -11.615 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.273 -0.683 -12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.409 -2.372 -12.380 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.351 -2.122 -10.971 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.009 -2.727 -10.743 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.266 -1.338 -11.586 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.948 -2.503 -11.318 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.337 -1.297 -10.069 1.00 0.00 H new ATOM 470 N VAL A 32 -0.232 -1.007 -8.128 1.00 0.00 N ATOM 471 CA VAL A 32 1.088 -1.184 -7.535 1.00 0.00 C ATOM 472 C VAL A 32 1.543 -2.636 -7.627 1.00 0.00 C ATOM 473 O VAL A 32 0.748 -3.529 -7.921 1.00 0.00 O ATOM 474 CB VAL A 32 1.103 -0.745 -6.059 1.00 0.00 C ATOM 475 CG1 VAL A 32 0.671 0.707 -5.928 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.211 -1.652 -5.225 1.00 0.00 C ATOM 0 H VAL A 32 -0.984 -1.485 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 32 1.776 -0.555 -8.101 1.00 0.00 H new ATOM 0 HB VAL A 32 2.123 -0.830 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.688 0.998 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.354 1.342 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.339 0.823 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.233 -1.328 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.811 -1.601 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.571 -2.679 -5.293 1.00 0.00 H new ATOM 486 N TYR A 33 2.826 -2.865 -7.374 1.00 0.00 N ATOM 487 CA TYR A 33 3.388 -4.209 -7.430 1.00 0.00 C ATOM 488 C TYR A 33 3.962 -4.617 -6.076 1.00 0.00 C ATOM 489 O TYR A 33 4.978 -4.081 -5.634 1.00 0.00 O ATOM 490 CB TYR A 33 4.477 -4.285 -8.501 1.00 0.00 C ATOM 491 CG TYR A 33 3.947 -4.598 -9.883 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.579 -5.892 -10.230 1.00 0.00 C ATOM 493 CD2 TYR A 33 3.814 -3.600 -10.839 1.00 0.00 C ATOM 494 CE1 TYR A 33 3.095 -6.182 -11.491 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.329 -3.881 -12.102 1.00 0.00 C ATOM 496 CZ TYR A 33 2.972 -5.173 -12.423 1.00 0.00 C ATOM 497 OH TYR A 33 2.489 -5.458 -13.680 1.00 0.00 O ATOM 0 H TYR A 33 3.497 -2.137 -7.128 1.00 0.00 H new ATOM 0 HA TYR A 33 2.585 -4.900 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.011 -3.335 -8.532 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.201 -5.049 -8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.673 -6.684 -9.502 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.094 -2.587 -10.591 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.814 -7.193 -11.746 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.230 -3.093 -12.834 1.00 0.00 H new ATOM 0 HH TYR A 33 2.464 -4.637 -14.215 1.00 0.00 H new ATOM 507 N ILE A 34 3.303 -5.569 -5.425 1.00 0.00 N ATOM 508 CA ILE A 34 3.747 -6.051 -4.123 1.00 0.00 C ATOM 509 C ILE A 34 4.908 -7.030 -4.265 1.00 0.00 C ATOM 510 O ILE A 34 4.739 -8.139 -4.772 1.00 0.00 O ATOM 511 CB ILE A 34 2.602 -6.738 -3.356 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.408 -5.790 -3.221 1.00 0.00 C ATOM 513 CG2 ILE A 34 3.081 -7.194 -1.986 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.092 -6.503 -3.002 1.00 0.00 C ATOM 0 H ILE A 34 2.460 -6.022 -5.778 1.00 0.00 H new ATOM 0 HA ILE A 34 4.078 -5.178 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 34 2.283 -7.616 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.587 -5.110 -2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.336 -5.179 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.260 -7.678 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.903 -7.900 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.423 -6.331 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.709 -5.769 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.110 -7.162 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.145 -7.092 -2.086 1.00 0.00 H new ATOM 526 N TYR A 35 6.085 -6.612 -3.814 1.00 0.00 N ATOM 527 CA TYR A 35 7.275 -7.452 -3.891 1.00 0.00 C ATOM 528 C TYR A 35 7.247 -8.537 -2.819 1.00 0.00 C ATOM 529 O TYR A 35 7.498 -9.709 -3.098 1.00 0.00 O ATOM 530 CB TYR A 35 8.536 -6.601 -3.739 1.00 0.00 C ATOM 531 CG TYR A 35 8.681 -5.536 -4.804 1.00 0.00 C ATOM 532 CD1 TYR A 35 9.003 -5.874 -6.112 1.00 0.00 C ATOM 533 CD2 TYR A 35 8.494 -4.193 -4.501 1.00 0.00 C ATOM 534 CE1 TYR A 35 9.137 -4.905 -7.088 1.00 0.00 C ATOM 535 CE2 TYR A 35 8.625 -3.218 -5.470 1.00 0.00 C ATOM 536 CZ TYR A 35 8.946 -3.578 -6.762 1.00 0.00 C ATOM 537 OH TYR A 35 9.077 -2.610 -7.731 1.00 0.00 O ATOM 0 H TYR A 35 6.241 -5.697 -3.391 1.00 0.00 H new ATOM 0 HA TYR A 35 7.286 -7.934 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.526 -6.124 -2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.409 -7.253 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.151 -6.912 -6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.242 -3.907 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.390 -5.185 -8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.477 -2.178 -5.217 1.00 0.00 H new ATOM 0 HH TYR A 35 8.831 -2.984 -8.603 1.00 0.00 H new ATOM 547 N LYS A 36 6.940 -8.136 -1.590 1.00 0.00 N ATOM 548 CA LYS A 36 6.876 -9.071 -0.473 1.00 0.00 C ATOM 549 C LYS A 36 5.797 -8.658 0.522 1.00 0.00 C ATOM 550 O LYS A 36 5.335 -7.518 0.511 1.00 0.00 O ATOM 551 CB LYS A 36 8.232 -9.149 0.232 1.00 0.00 C ATOM 552 CG LYS A 36 8.562 -7.914 1.053 1.00 0.00 C ATOM 553 CD LYS A 36 8.061 -8.044 2.481 1.00 0.00 C ATOM 554 CE LYS A 36 9.057 -8.791 3.356 1.00 0.00 C ATOM 555 NZ LYS A 36 8.728 -8.665 4.803 1.00 0.00 N ATOM 0 H LYS A 36 6.731 -7.169 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 36 6.622 -10.054 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.243 -10.022 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.012 -9.298 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.641 -7.757 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.114 -7.036 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.882 -7.052 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.106 -8.569 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.067 -9.844 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.060 -8.404 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.356 -9.282 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.858 -7.678 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.739 -8.947 4.960 1.00 0.00 H new ATOM 569 N GLN A 37 5.401 -9.592 1.381 1.00 0.00 N ATOM 570 CA GLN A 37 4.377 -9.324 2.383 1.00 0.00 C ATOM 571 C GLN A 37 5.008 -8.982 3.729 1.00 0.00 C ATOM 572 O GLN A 37 5.821 -9.742 4.255 1.00 0.00 O ATOM 573 CB GLN A 37 3.450 -10.532 2.533 1.00 0.00 C ATOM 574 CG GLN A 37 2.305 -10.303 3.505 1.00 0.00 C ATOM 575 CD GLN A 37 1.482 -11.554 3.743 1.00 0.00 C ATOM 576 OE1 GLN A 37 0.910 -12.121 2.811 1.00 0.00 O ATOM 577 NE2 GLN A 37 1.419 -11.993 4.994 1.00 0.00 N ATOM 0 H GLN A 37 5.774 -10.541 1.403 1.00 0.00 H new ATOM 0 HA GLN A 37 3.793 -8.467 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.040 -10.789 1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.035 -11.389 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.705 -9.950 4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.658 -9.515 3.119 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.909 -11.492 5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.881 -12.831 5.214 1.00 0.00 H new ATOM 586 N ILE A 38 4.628 -7.834 4.280 1.00 0.00 N ATOM 587 CA ILE A 38 5.157 -7.393 5.565 1.00 0.00 C ATOM 588 C ILE A 38 4.465 -8.110 6.719 1.00 0.00 C ATOM 589 O ILE A 38 5.104 -8.825 7.491 1.00 0.00 O ATOM 590 CB ILE A 38 4.994 -5.872 5.748 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.647 -5.123 4.585 1.00 0.00 C ATOM 592 CG2 ILE A 38 5.595 -5.431 7.074 1.00 0.00 C ATOM 593 CD1 ILE A 38 7.158 -5.094 4.658 1.00 0.00 C ATOM 0 H ILE A 38 3.957 -7.193 3.857 1.00 0.00 H new ATOM 0 HA ILE A 38 6.219 -7.640 5.572 1.00 0.00 H new ATOM 0 HB ILE A 38 3.930 -5.634 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.345 -5.590 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.272 -4.100 4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.472 -4.354 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.088 -5.943 7.892 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.656 -5.679 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.553 -4.547 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.468 -4.600 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.543 -6.114 4.646 1.00 0.00 H new ATOM 605 N ASP A 39 3.156 -7.914 6.830 1.00 0.00 N ATOM 606 CA ASP A 39 2.376 -8.545 7.889 1.00 0.00 C ATOM 607 C ASP A 39 1.090 -9.147 7.331 1.00 0.00 C ATOM 608 O ASP A 39 0.832 -9.078 6.130 1.00 0.00 O ATOM 609 CB ASP A 39 2.045 -7.528 8.982 1.00 0.00 C ATOM 610 CG ASP A 39 1.913 -8.170 10.349 1.00 0.00 C ATOM 611 OD1 ASP A 39 2.404 -9.304 10.521 1.00 0.00 O ATOM 612 OD2 ASP A 39 1.317 -7.538 11.247 1.00 0.00 O ATOM 0 H ASP A 39 2.613 -7.324 6.200 1.00 0.00 H new ATOM 0 HA ASP A 39 2.975 -9.348 8.319 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.825 -6.767 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.114 -7.019 8.731 1.00 0.00 H new ATOM 617 N GLN A 40 0.289 -9.738 8.212 1.00 0.00 N ATOM 618 CA GLN A 40 -0.969 -10.354 7.807 1.00 0.00 C ATOM 619 C GLN A 40 -1.935 -9.309 7.257 1.00 0.00 C ATOM 620 O GLN A 40 -2.892 -9.641 6.559 1.00 0.00 O ATOM 621 CB GLN A 40 -1.608 -11.084 8.989 1.00 0.00 C ATOM 622 CG GLN A 40 -2.784 -11.964 8.597 1.00 0.00 C ATOM 623 CD GLN A 40 -3.753 -12.187 9.741 1.00 0.00 C ATOM 624 OE1 GLN A 40 -3.968 -11.302 10.570 1.00 0.00 O ATOM 625 NE2 GLN A 40 -4.345 -13.375 9.793 1.00 0.00 N ATOM 0 H GLN A 40 0.489 -9.803 9.210 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.754 -11.074 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.852 -11.699 9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.943 -10.349 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.313 -11.506 7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.412 -12.927 8.248 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.138 -14.080 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.007 -13.583 10.541 1.00 0.00 H new ATOM 634 N ASN A 41 -1.676 -8.046 7.577 1.00 0.00 N ATOM 635 CA ASN A 41 -2.524 -6.952 7.115 1.00 0.00 C ATOM 636 C ASN A 41 -1.685 -5.836 6.499 1.00 0.00 C ATOM 637 O ASN A 41 -2.120 -4.687 6.425 1.00 0.00 O ATOM 638 CB ASN A 41 -3.355 -6.399 8.275 1.00 0.00 C ATOM 639 CG ASN A 41 -4.673 -7.130 8.441 1.00 0.00 C ATOM 640 OD1 ASN A 41 -4.805 -8.009 9.293 1.00 0.00 O ATOM 641 ND2 ASN A 41 -5.657 -6.769 7.625 1.00 0.00 N ATOM 0 H ASN A 41 -0.887 -7.754 8.154 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.194 -7.343 6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.781 -6.476 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.549 -5.340 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.567 -7.226 7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.503 -6.035 6.934 1.00 0.00 H new ATOM 648 N TRP A 42 -0.481 -6.184 6.058 1.00 0.00 N ATOM 649 CA TRP A 42 0.419 -5.212 5.448 1.00 0.00 C ATOM 650 C TRP A 42 1.110 -5.804 4.224 1.00 0.00 C ATOM 651 O TRP A 42 1.153 -7.022 4.052 1.00 0.00 O ATOM 652 CB TRP A 42 1.464 -4.746 6.463 1.00 0.00 C ATOM 653 CG TRP A 42 0.926 -3.768 7.463 1.00 0.00 C ATOM 654 CD1 TRP A 42 0.403 -4.056 8.691 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.858 -2.346 7.319 1.00 0.00 C ATOM 656 NE1 TRP A 42 0.013 -2.898 9.319 1.00 0.00 N ATOM 657 CE2 TRP A 42 0.282 -1.835 8.499 1.00 0.00 C ATOM 658 CE3 TRP A 42 1.229 -1.453 6.310 1.00 0.00 C ATOM 659 CZ2 TRP A 42 0.069 -0.473 8.693 1.00 0.00 C ATOM 660 CZ3 TRP A 42 1.016 -0.102 6.504 1.00 0.00 C ATOM 661 CH2 TRP A 42 0.442 0.378 7.688 1.00 0.00 C ATOM 0 H TRP A 42 -0.106 -7.131 6.111 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.174 -4.355 5.129 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.860 -5.614 6.991 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.298 -4.289 5.931 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.310 -5.048 9.107 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.409 -2.840 10.246 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.675 -1.813 5.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.375 -0.101 9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.297 0.596 5.729 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.291 1.440 7.810 1.00 0.00 H new ATOM 672 N TYR A 43 1.648 -4.934 3.376 1.00 0.00 N ATOM 673 CA TYR A 43 2.334 -5.371 2.166 1.00 0.00 C ATOM 674 C TYR A 43 3.518 -4.461 1.852 1.00 0.00 C ATOM 675 O TYR A 43 3.788 -3.505 2.578 1.00 0.00 O ATOM 676 CB TYR A 43 1.365 -5.392 0.983 1.00 0.00 C ATOM 677 CG TYR A 43 0.580 -6.679 0.866 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.227 -7.902 0.743 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.810 -6.672 0.880 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.514 -9.080 0.634 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.531 -7.845 0.774 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.865 -9.047 0.651 1.00 0.00 C ATOM 683 OH TYR A 43 -1.579 -10.218 0.544 1.00 0.00 O ATOM 0 H TYR A 43 1.622 -3.922 3.504 1.00 0.00 H new ATOM 0 HA TYR A 43 2.709 -6.380 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.669 -4.559 1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.926 -5.233 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.307 -7.932 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.335 -5.733 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.033 -10.022 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.611 -7.822 0.787 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.538 -10.020 0.574 1.00 0.00 H new ATOM 693 N GLU A 44 4.218 -4.766 0.765 1.00 0.00 N ATOM 694 CA GLU A 44 5.373 -3.976 0.354 1.00 0.00 C ATOM 695 C GLU A 44 5.491 -3.934 -1.167 1.00 0.00 C ATOM 696 O GLU A 44 5.536 -4.972 -1.826 1.00 0.00 O ATOM 697 CB GLU A 44 6.655 -4.552 0.960 1.00 0.00 C ATOM 698 CG GLU A 44 7.917 -3.839 0.505 1.00 0.00 C ATOM 699 CD GLU A 44 8.239 -2.624 1.354 1.00 0.00 C ATOM 700 OE1 GLU A 44 8.291 -2.765 2.594 1.00 0.00 O ATOM 701 OE2 GLU A 44 8.439 -1.534 0.779 1.00 0.00 O ATOM 0 H GLU A 44 4.006 -5.554 0.153 1.00 0.00 H new ATOM 0 HA GLU A 44 5.232 -2.958 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.589 -4.498 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.729 -5.607 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.755 -4.535 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.801 -3.531 -0.534 1.00 0.00 H new ATOM 708 N GLY A 45 5.540 -2.725 -1.718 1.00 0.00 N ATOM 709 CA GLY A 45 5.651 -2.570 -3.157 1.00 0.00 C ATOM 710 C GLY A 45 6.244 -1.232 -3.551 1.00 0.00 C ATOM 711 O GLY A 45 6.789 -0.516 -2.711 1.00 0.00 O ATOM 0 H GLY A 45 5.505 -1.851 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.271 -3.371 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.664 -2.674 -3.608 1.00 0.00 H new ATOM 715 N GLU A 46 6.139 -0.894 -4.832 1.00 0.00 N ATOM 716 CA GLU A 46 6.673 0.366 -5.336 1.00 0.00 C ATOM 717 C GLU A 46 5.566 1.218 -5.950 1.00 0.00 C ATOM 718 O GLU A 46 4.573 0.695 -6.457 1.00 0.00 O ATOM 719 CB GLU A 46 7.766 0.104 -6.374 1.00 0.00 C ATOM 720 CG GLU A 46 7.902 1.210 -7.407 1.00 0.00 C ATOM 721 CD GLU A 46 6.919 1.062 -8.552 1.00 0.00 C ATOM 722 OE1 GLU A 46 6.624 -0.089 -8.935 1.00 0.00 O ATOM 723 OE2 GLU A 46 6.445 2.097 -9.066 1.00 0.00 O ATOM 0 H GLU A 46 5.689 -1.475 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 46 7.104 0.911 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.720 -0.022 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.552 -0.835 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.748 2.175 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.918 1.210 -7.803 1.00 0.00 H new ATOM 730 N HIS A 47 5.745 2.535 -5.901 1.00 0.00 N ATOM 731 CA HIS A 47 4.762 3.461 -6.453 1.00 0.00 C ATOM 732 C HIS A 47 5.378 4.839 -6.674 1.00 0.00 C ATOM 733 O HIS A 47 5.986 5.411 -5.768 1.00 0.00 O ATOM 734 CB HIS A 47 3.556 3.572 -5.521 1.00 0.00 C ATOM 735 CG HIS A 47 2.410 4.335 -6.112 1.00 0.00 C ATOM 736 ND1 HIS A 47 1.907 5.490 -5.553 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.671 4.102 -7.222 1.00 0.00 C ATOM 738 CE1 HIS A 47 0.906 5.934 -6.291 1.00 0.00 C ATOM 739 NE2 HIS A 47 0.742 5.110 -7.311 1.00 0.00 N ATOM 0 H HIS A 47 6.561 2.984 -5.485 1.00 0.00 H new ATOM 0 HA HIS A 47 4.433 3.071 -7.416 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.217 2.570 -5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.866 4.057 -4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.790 3.277 -7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.321 6.820 -6.094 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.040 5.207 -8.045 1.00 0.00 H new ATOM 748 N HIS A 48 5.219 5.366 -7.884 1.00 0.00 N ATOM 749 CA HIS A 48 5.760 6.677 -8.223 1.00 0.00 C ATOM 750 C HIS A 48 7.232 6.775 -7.835 1.00 0.00 C ATOM 751 O HIS A 48 7.636 7.691 -7.120 1.00 0.00 O ATOM 752 CB HIS A 48 4.962 7.778 -7.525 1.00 0.00 C ATOM 753 CG HIS A 48 5.468 9.159 -7.811 1.00 0.00 C ATOM 754 ND1 HIS A 48 5.918 10.014 -6.828 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.595 9.830 -8.979 1.00 0.00 C ATOM 756 CE1 HIS A 48 6.298 11.153 -7.379 1.00 0.00 C ATOM 757 NE2 HIS A 48 6.113 11.067 -8.684 1.00 0.00 N ATOM 0 H HIS A 48 4.720 4.906 -8.645 1.00 0.00 H new ATOM 0 HA HIS A 48 5.678 6.808 -9.302 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.919 7.711 -7.834 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.987 7.607 -6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.337 9.461 -9.961 1.00 0.00 H new ATOM 0 HE1 HIS A 48 6.693 12.009 -6.852 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.321 11.800 -9.362 1.00 0.00 H new ATOM 766 N GLY A 49 8.030 5.823 -8.311 1.00 0.00 N ATOM 767 CA GLY A 49 9.448 5.820 -8.002 1.00 0.00 C ATOM 768 C GLY A 49 9.716 5.837 -6.510 1.00 0.00 C ATOM 769 O GLY A 49 10.691 6.434 -6.055 1.00 0.00 O ATOM 0 H GLY A 49 7.719 5.054 -8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.911 4.936 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.919 6.688 -8.463 1.00 0.00 H new ATOM 773 N ARG A 50 8.848 5.180 -5.747 1.00 0.00 N ATOM 774 CA ARG A 50 8.994 5.124 -4.298 1.00 0.00 C ATOM 775 C ARG A 50 8.730 3.714 -3.779 1.00 0.00 C ATOM 776 O ARG A 50 8.080 2.908 -4.444 1.00 0.00 O ATOM 777 CB ARG A 50 8.038 6.113 -3.629 1.00 0.00 C ATOM 778 CG ARG A 50 8.413 6.448 -2.195 1.00 0.00 C ATOM 779 CD ARG A 50 7.401 7.387 -1.558 1.00 0.00 C ATOM 780 NE ARG A 50 7.749 8.790 -1.765 1.00 0.00 N ATOM 781 CZ ARG A 50 8.791 9.381 -1.191 1.00 0.00 C ATOM 782 NH1 ARG A 50 9.582 8.694 -0.378 1.00 0.00 N ATOM 783 NH2 ARG A 50 9.044 10.662 -1.429 1.00 0.00 N ATOM 0 H ARG A 50 8.036 4.679 -6.109 1.00 0.00 H new ATOM 0 HA ARG A 50 10.020 5.397 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.013 7.033 -4.213 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.030 5.698 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.477 5.530 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.401 6.908 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.413 7.193 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.340 7.183 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 50 7.160 9.347 -2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.391 7.709 -0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.381 9.150 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.438 11.194 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.845 11.114 -0.987 1.00 0.00 H new ATOM 797 N VAL A 51 9.240 3.423 -2.586 1.00 0.00 N ATOM 798 CA VAL A 51 9.059 2.110 -1.978 1.00 0.00 C ATOM 799 C VAL A 51 8.643 2.235 -0.516 1.00 0.00 C ATOM 800 O VAL A 51 9.079 3.143 0.189 1.00 0.00 O ATOM 801 CB VAL A 51 10.347 1.270 -2.063 1.00 0.00 C ATOM 802 CG1 VAL A 51 10.100 -0.140 -1.546 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.869 1.238 -3.492 1.00 0.00 C ATOM 0 H VAL A 51 9.781 4.078 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 51 8.269 1.608 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 51 11.105 1.735 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.021 -0.719 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.775 -0.095 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.326 -0.618 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.779 0.640 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.115 0.797 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.086 2.254 -3.823 1.00 0.00 H new ATOM 813 N GLY A 52 7.795 1.314 -0.068 1.00 0.00 N ATOM 814 CA GLY A 52 7.333 1.338 1.308 1.00 0.00 C ATOM 815 C GLY A 52 6.311 0.256 1.596 1.00 0.00 C ATOM 816 O GLY A 52 6.153 -0.680 0.813 1.00 0.00 O ATOM 0 H GLY A 52 7.420 0.552 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.185 1.215 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.896 2.313 1.524 1.00 0.00 H new ATOM 820 N ILE A 53 5.618 0.384 2.722 1.00 0.00 N ATOM 821 CA ILE A 53 4.607 -0.591 3.111 1.00 0.00 C ATOM 822 C ILE A 53 3.220 0.042 3.152 1.00 0.00 C ATOM 823 O ILE A 53 3.084 1.254 3.319 1.00 0.00 O ATOM 824 CB ILE A 53 4.919 -1.207 4.488 1.00 0.00 C ATOM 825 CG1 ILE A 53 4.813 -0.143 5.583 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.305 -1.835 4.486 1.00 0.00 C ATOM 827 CD1 ILE A 53 4.681 -0.720 6.975 1.00 0.00 C ATOM 0 H ILE A 53 5.738 1.153 3.381 1.00 0.00 H new ATOM 0 HA ILE A 53 4.622 -1.379 2.358 1.00 0.00 H new ATOM 0 HB ILE A 53 4.187 -1.988 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.696 0.495 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.951 0.493 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.511 -2.266 5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.349 -2.618 3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.050 -1.072 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.611 0.091 7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.783 -1.335 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.554 -1.332 7.199 1.00 0.00 H new ATOM 839 N PHE A 54 2.193 -0.788 3.001 1.00 0.00 N ATOM 840 CA PHE A 54 0.816 -0.310 3.021 1.00 0.00 C ATOM 841 C PHE A 54 -0.147 -1.440 3.374 1.00 0.00 C ATOM 842 O PHE A 54 0.104 -2.613 3.094 1.00 0.00 O ATOM 843 CB PHE A 54 0.441 0.289 1.664 1.00 0.00 C ATOM 844 CG PHE A 54 0.884 -0.546 0.497 1.00 0.00 C ATOM 845 CD1 PHE A 54 0.065 -1.544 -0.008 1.00 0.00 C ATOM 846 CD2 PHE A 54 2.118 -0.334 -0.095 1.00 0.00 C ATOM 847 CE1 PHE A 54 0.469 -2.315 -1.082 1.00 0.00 C ATOM 848 CE2 PHE A 54 2.528 -1.101 -1.169 1.00 0.00 C ATOM 849 CZ PHE A 54 1.703 -2.093 -1.662 1.00 0.00 C ATOM 0 H PHE A 54 2.289 -1.794 2.864 1.00 0.00 H new ATOM 0 HA PHE A 54 0.738 0.463 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.640 0.417 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.884 1.281 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.900 -1.721 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.767 0.440 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.179 -3.089 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.492 -0.925 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.022 -2.695 -2.500 1.00 0.00 H new ATOM 859 N PRO A 55 -1.275 -1.081 4.004 1.00 0.00 N ATOM 860 CA PRO A 55 -2.298 -2.049 4.409 1.00 0.00 C ATOM 861 C PRO A 55 -3.038 -2.644 3.216 1.00 0.00 C ATOM 862 O PRO A 55 -3.457 -1.923 2.311 1.00 0.00 O ATOM 863 CB PRO A 55 -3.253 -1.218 5.270 1.00 0.00 C ATOM 864 CG PRO A 55 -3.079 0.180 4.785 1.00 0.00 C ATOM 865 CD PRO A 55 -1.639 0.298 4.369 1.00 0.00 C ATOM 0 HA PRO A 55 -1.866 -2.903 4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.284 -1.552 5.153 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.008 -1.303 6.329 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.745 0.388 3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.319 0.898 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.518 0.981 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.016 0.677 5.180 1.00 0.00 H new ATOM 873 N ARG A 56 -3.196 -3.964 3.221 1.00 0.00 N ATOM 874 CA ARG A 56 -3.885 -4.656 2.138 1.00 0.00 C ATOM 875 C ARG A 56 -5.334 -4.190 2.031 1.00 0.00 C ATOM 876 O ARG A 56 -5.849 -3.973 0.933 1.00 0.00 O ATOM 877 CB ARG A 56 -3.839 -6.169 2.360 1.00 0.00 C ATOM 878 CG ARG A 56 -4.404 -6.605 3.702 1.00 0.00 C ATOM 879 CD ARG A 56 -4.430 -8.120 3.829 1.00 0.00 C ATOM 880 NE ARG A 56 -5.625 -8.700 3.223 1.00 0.00 N ATOM 881 CZ ARG A 56 -6.858 -8.465 3.659 1.00 0.00 C ATOM 882 NH1 ARG A 56 -7.056 -7.667 4.698 1.00 0.00 N ATOM 883 NH2 ARG A 56 -7.895 -9.030 3.054 1.00 0.00 N ATOM 0 H ARG A 56 -2.856 -4.576 3.963 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.375 -4.417 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.396 -6.662 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.806 -6.508 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.802 -6.182 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.414 -6.212 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.543 -8.539 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.387 -8.396 4.883 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.507 -9.319 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.261 -7.231 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.004 -7.488 5.031 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.746 -9.645 2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.841 -8.849 3.389 1.00 0.00 H new ATOM 897 N THR A 57 -5.988 -4.039 3.178 1.00 0.00 N ATOM 898 CA THR A 57 -7.378 -3.602 3.214 1.00 0.00 C ATOM 899 C THR A 57 -7.591 -2.375 2.334 1.00 0.00 C ATOM 900 O THR A 57 -8.705 -2.108 1.885 1.00 0.00 O ATOM 901 CB THR A 57 -7.827 -3.273 4.651 1.00 0.00 C ATOM 902 OG1 THR A 57 -6.974 -2.269 5.212 1.00 0.00 O ATOM 903 CG2 THR A 57 -7.797 -4.517 5.525 1.00 0.00 C ATOM 0 H THR A 57 -5.577 -4.213 4.095 1.00 0.00 H new ATOM 0 HA THR A 57 -7.979 -4.428 2.834 1.00 0.00 H new ATOM 0 HB THR A 57 -8.850 -2.900 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.266 -2.064 6.125 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.118 -4.260 6.535 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.469 -5.269 5.111 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.783 -4.915 5.557 1.00 0.00 H new ATOM 911 N TYR A 58 -6.516 -1.633 2.091 1.00 0.00 N ATOM 912 CA TYR A 58 -6.586 -0.434 1.266 1.00 0.00 C ATOM 913 C TYR A 58 -6.544 -0.789 -0.217 1.00 0.00 C ATOM 914 O TYR A 58 -7.127 -0.094 -1.050 1.00 0.00 O ATOM 915 CB TYR A 58 -5.434 0.514 1.607 1.00 0.00 C ATOM 916 CG TYR A 58 -5.750 1.469 2.736 1.00 0.00 C ATOM 917 CD1 TYR A 58 -5.996 1.000 4.020 1.00 0.00 C ATOM 918 CD2 TYR A 58 -5.804 2.840 2.517 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.285 1.869 5.055 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.091 3.716 3.546 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.331 3.226 4.812 1.00 0.00 C ATOM 922 OH TYR A 58 -6.619 4.096 5.839 1.00 0.00 O ATOM 0 H TYR A 58 -5.586 -1.841 2.454 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.533 0.064 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.557 -0.075 1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.172 1.089 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.961 -0.062 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.619 3.227 1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.474 1.488 6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.127 4.779 3.360 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.611 5.016 5.501 1.00 0.00 H new ATOM 932 N ILE A 59 -5.852 -1.877 -0.539 1.00 0.00 N ATOM 933 CA ILE A 59 -5.736 -2.327 -1.920 1.00 0.00 C ATOM 934 C ILE A 59 -6.519 -3.616 -2.146 1.00 0.00 C ATOM 935 O ILE A 59 -7.199 -4.106 -1.246 1.00 0.00 O ATOM 936 CB ILE A 59 -4.265 -2.557 -2.315 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.673 -3.716 -1.510 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.454 -1.288 -2.100 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.858 -5.065 -2.168 1.00 0.00 C ATOM 0 H ILE A 59 -5.363 -2.463 0.138 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.153 -1.537 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.225 -2.816 -3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.608 -3.537 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.135 -3.736 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.417 -1.467 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.865 -0.486 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.499 -1.001 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.414 -5.839 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.922 -5.266 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.371 -5.064 -3.143 1.00 0.00 H new ATOM 951 N GLU A 60 -6.416 -4.160 -3.355 1.00 0.00 N ATOM 952 CA GLU A 60 -7.114 -5.393 -3.699 1.00 0.00 C ATOM 953 C GLU A 60 -6.303 -6.218 -4.694 1.00 0.00 C ATOM 954 O GLU A 60 -6.092 -5.804 -5.835 1.00 0.00 O ATOM 955 CB GLU A 60 -8.493 -5.079 -4.283 1.00 0.00 C ATOM 956 CG GLU A 60 -9.174 -6.281 -4.916 1.00 0.00 C ATOM 957 CD GLU A 60 -9.485 -7.372 -3.911 1.00 0.00 C ATOM 958 OE1 GLU A 60 -8.532 -7.997 -3.400 1.00 0.00 O ATOM 959 OE2 GLU A 60 -10.681 -7.601 -3.635 1.00 0.00 O ATOM 0 H GLU A 60 -5.856 -3.766 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.239 -5.976 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.132 -4.685 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.391 -4.294 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.099 -5.959 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.533 -6.686 -5.699 1.00 0.00 H new ATOM 966 N LEU A 61 -5.851 -7.387 -4.255 1.00 0.00 N ATOM 967 CA LEU A 61 -5.063 -8.272 -5.106 1.00 0.00 C ATOM 968 C LEU A 61 -5.850 -8.674 -6.350 1.00 0.00 C ATOM 969 O LEU A 61 -6.926 -9.266 -6.252 1.00 0.00 O ATOM 970 CB LEU A 61 -4.643 -9.520 -4.328 1.00 0.00 C ATOM 971 CG LEU A 61 -3.364 -9.395 -3.499 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.251 -10.550 -2.516 1.00 0.00 C ATOM 973 CD2 LEU A 61 -2.143 -9.342 -4.406 1.00 0.00 C ATOM 0 H LEU A 61 -6.017 -7.745 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.171 -7.732 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.459 -9.800 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.515 -10.339 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.410 -8.465 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.335 -10.445 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.110 -10.542 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.227 -11.492 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.242 -9.253 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.091 -10.254 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.220 -8.481 -5.070 1.00 0.00 H new ATOM 985 N LEU A 62 -5.306 -8.352 -7.518 1.00 0.00 N ATOM 986 CA LEU A 62 -5.956 -8.682 -8.782 1.00 0.00 C ATOM 987 C LEU A 62 -5.740 -10.149 -9.138 1.00 0.00 C ATOM 988 O LEU A 62 -4.697 -10.520 -9.677 1.00 0.00 O ATOM 989 CB LEU A 62 -5.420 -7.788 -9.902 1.00 0.00 C ATOM 990 CG LEU A 62 -5.616 -6.284 -9.712 1.00 0.00 C ATOM 991 CD1 LEU A 62 -4.748 -5.505 -10.688 1.00 0.00 C ATOM 992 CD2 LEU A 62 -7.081 -5.911 -9.885 1.00 0.00 C ATOM 0 H LEU A 62 -4.416 -7.863 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.026 -8.509 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.354 -7.984 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.900 -8.082 -10.835 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.312 -6.023 -8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.901 -4.436 -10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.699 -5.749 -10.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.021 -5.771 -11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.202 -4.837 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.411 -6.187 -10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.681 -6.442 -9.146 1.00 0.00 H new ATOM 1004 N SER A 63 -6.733 -10.979 -8.835 1.00 0.00 N ATOM 1005 CA SER A 63 -6.650 -12.406 -9.122 1.00 0.00 C ATOM 1006 C SER A 63 -6.453 -12.649 -10.616 1.00 0.00 C ATOM 1007 O SER A 63 -7.417 -12.754 -11.372 1.00 0.00 O ATOM 1008 CB SER A 63 -7.916 -13.118 -8.641 1.00 0.00 C ATOM 1009 OG SER A 63 -9.067 -12.610 -9.294 1.00 0.00 O ATOM 0 H SER A 63 -7.604 -10.688 -8.391 1.00 0.00 H new ATOM 0 HA SER A 63 -5.789 -12.810 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.829 -14.188 -8.830 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.020 -12.992 -7.563 1.00 0.00 H new ATOM 0 HG SER A 63 -8.870 -12.472 -10.244 1.00 0.00 H new ATOM 1015 N GLY A 64 -5.193 -12.738 -11.033 1.00 0.00 N ATOM 1016 CA GLY A 64 -4.890 -12.968 -12.433 1.00 0.00 C ATOM 1017 C GLY A 64 -3.838 -12.014 -12.963 1.00 0.00 C ATOM 1018 O GLY A 64 -4.148 -10.989 -13.569 1.00 0.00 O ATOM 0 H GLY A 64 -4.378 -12.655 -10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.544 -13.994 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.802 -12.862 -13.021 1.00 0.00 H new ATOM 1022 N PRO A 65 -2.560 -12.350 -12.732 1.00 0.00 N ATOM 1023 CA PRO A 65 -1.432 -11.528 -13.181 1.00 0.00 C ATOM 1024 C PRO A 65 -1.267 -11.549 -14.697 1.00 0.00 C ATOM 1025 O PRO A 65 -0.337 -10.951 -15.238 1.00 0.00 O ATOM 1026 CB PRO A 65 -0.225 -12.180 -12.502 1.00 0.00 C ATOM 1027 CG PRO A 65 -0.636 -13.594 -12.275 1.00 0.00 C ATOM 1028 CD PRO A 65 -2.117 -13.558 -12.016 1.00 0.00 C ATOM 0 HA PRO A 65 -1.566 -10.477 -12.924 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.663 -12.122 -13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.017 -11.683 -11.563 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.407 -14.211 -13.144 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.102 -14.024 -11.428 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.613 -14.453 -12.393 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.337 -13.497 -10.950 1.00 0.00 H new ATOM 1036 N SER A 66 -2.175 -12.242 -15.377 1.00 0.00 N ATOM 1037 CA SER A 66 -2.127 -12.343 -16.831 1.00 0.00 C ATOM 1038 C SER A 66 -2.562 -11.034 -17.482 1.00 0.00 C ATOM 1039 O SER A 66 -1.849 -10.475 -18.315 1.00 0.00 O ATOM 1040 CB SER A 66 -3.021 -13.487 -17.313 1.00 0.00 C ATOM 1041 OG SER A 66 -2.465 -14.746 -16.976 1.00 0.00 O ATOM 0 H SER A 66 -2.952 -12.741 -14.945 1.00 0.00 H new ATOM 0 HA SER A 66 -1.097 -12.548 -17.122 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.011 -13.392 -16.867 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.151 -13.421 -18.393 1.00 0.00 H new ATOM 0 HG SER A 66 -3.056 -15.460 -17.294 1.00 0.00 H new ATOM 1047 N SER A 67 -3.738 -10.550 -17.094 1.00 0.00 N ATOM 1048 CA SER A 67 -4.272 -9.308 -17.642 1.00 0.00 C ATOM 1049 C SER A 67 -4.041 -8.147 -16.680 1.00 0.00 C ATOM 1050 O SER A 67 -3.799 -8.350 -15.491 1.00 0.00 O ATOM 1051 CB SER A 67 -5.766 -9.455 -17.934 1.00 0.00 C ATOM 1052 OG SER A 67 -6.250 -8.356 -18.686 1.00 0.00 O ATOM 0 H SER A 67 -4.339 -10.999 -16.403 1.00 0.00 H new ATOM 0 HA SER A 67 -3.747 -9.095 -18.573 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.943 -10.381 -18.482 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.317 -9.529 -16.997 1.00 0.00 H new ATOM 0 HG SER A 67 -7.207 -8.475 -18.861 1.00 0.00 H new ATOM 1058 N GLY A 68 -4.118 -6.927 -17.205 1.00 0.00 N ATOM 1059 CA GLY A 68 -3.916 -5.751 -16.380 1.00 0.00 C ATOM 1060 C GLY A 68 -4.187 -4.462 -17.131 1.00 0.00 C ATOM 1061 O GLY A 68 -5.341 -4.086 -17.333 1.00 0.00 O ATOM 0 H GLY A 68 -4.317 -6.733 -18.187 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.570 -5.805 -15.510 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.891 -5.743 -16.009 1.00 0.00 H new TER 1065 GLY A 68