USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 732 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 100 GLN : amide:sc= -0.0491 X(o=-0.054,f=0.12) USER MOD Set 1.2: A 101 SER OG : rot 35:sc=-0.00485 USER MOD Set 2.1: A 72 SER OG : rot -121:sc= 0.967 USER MOD Set 2.2: A 97 THR OG1 : rot -171:sc= 1.36 USER MOD Set 3.1: A 32 ASN : amide:sc= -2.41! C(o=-2.3!,f=-4.4!) USER MOD Set 3.2: A 39 TYR OH : rot -130:sc= 0.134 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 23 SER OG : rot 180:sc= -0.0864 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 27:sc= 0.564 USER MOD Single : A 5 SER OG : rot 25:sc= 0.108 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.579 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 27 THR OG1 : rot -51:sc= 0.88 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0067 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.86 X(o=-4.9,f=-5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc=-0.00184 K(o=-0.0018,f=-2) USER MOD Single : A 60 THR OG1 : rot 111:sc= 0.293 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00849 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 64 SER OG : rot 65:sc= 1.12 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -2.4! C(o=-2.4!,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 107:sc= 0.736 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 53:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.836 -17.017 18.503 1.00 0.00 N ATOM 2 CA GLY A 1 11.292 -16.548 17.208 1.00 0.00 C ATOM 3 C GLY A 1 12.335 -17.460 16.594 1.00 0.00 C ATOM 4 O GLY A 1 13.514 -17.112 16.530 1.00 0.00 O ATOM 0 H1 GLY A 1 10.124 -16.359 18.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.414 -17.962 18.401 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.642 -17.067 19.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.440 -16.470 16.533 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.708 -15.546 17.314 1.00 0.00 H new ATOM 8 N SER A 2 11.902 -18.633 16.144 1.00 0.00 N ATOM 9 CA SER A 2 12.808 -19.601 15.537 1.00 0.00 C ATOM 10 C SER A 2 12.325 -20.001 14.146 1.00 0.00 C ATOM 11 O SER A 2 11.423 -20.826 14.004 1.00 0.00 O ATOM 12 CB SER A 2 12.929 -20.843 16.423 1.00 0.00 C ATOM 13 OG SER A 2 13.892 -20.648 17.445 1.00 0.00 O ATOM 0 H SER A 2 10.929 -18.936 16.188 1.00 0.00 H new ATOM 0 HA SER A 2 13.788 -19.133 15.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.961 -21.071 16.870 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.209 -21.702 15.814 1.00 0.00 H new ATOM 0 HG SER A 2 13.950 -21.455 17.998 1.00 0.00 H new ATOM 19 N SER A 3 12.932 -19.408 13.123 1.00 0.00 N ATOM 20 CA SER A 3 12.562 -19.698 11.743 1.00 0.00 C ATOM 21 C SER A 3 13.703 -19.352 10.790 1.00 0.00 C ATOM 22 O SER A 3 14.258 -18.255 10.841 1.00 0.00 O ATOM 23 CB SER A 3 11.304 -18.918 11.355 1.00 0.00 C ATOM 24 OG SER A 3 10.132 -19.632 11.708 1.00 0.00 O ATOM 0 H SER A 3 13.682 -18.724 13.224 1.00 0.00 H new ATOM 0 HA SER A 3 12.357 -20.766 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.306 -17.948 11.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.308 -18.726 10.282 1.00 0.00 H new ATOM 0 HG SER A 3 10.325 -20.223 12.465 1.00 0.00 H new ATOM 30 N GLY A 4 14.048 -20.298 9.921 1.00 0.00 N ATOM 31 CA GLY A 4 15.120 -20.075 8.970 1.00 0.00 C ATOM 32 C GLY A 4 14.718 -19.132 7.853 1.00 0.00 C ATOM 33 O GLY A 4 13.983 -19.514 6.943 1.00 0.00 O ATOM 0 H GLY A 4 13.604 -21.214 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.985 -19.667 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.427 -21.030 8.543 1.00 0.00 H new ATOM 37 N SER A 5 15.200 -17.895 7.924 1.00 0.00 N ATOM 38 CA SER A 5 14.882 -16.892 6.914 1.00 0.00 C ATOM 39 C SER A 5 15.832 -16.998 5.725 1.00 0.00 C ATOM 40 O SER A 5 17.049 -17.083 5.894 1.00 0.00 O ATOM 41 CB SER A 5 14.956 -15.488 7.518 1.00 0.00 C ATOM 42 OG SER A 5 16.285 -15.161 7.886 1.00 0.00 O ATOM 0 H SER A 5 15.812 -17.564 8.670 1.00 0.00 H new ATOM 0 HA SER A 5 13.867 -17.075 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.585 -14.759 6.798 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.308 -15.430 8.393 1.00 0.00 H new ATOM 0 HG SER A 5 16.912 -15.689 7.349 1.00 0.00 H new ATOM 48 N SER A 6 15.268 -16.991 4.522 1.00 0.00 N ATOM 49 CA SER A 6 16.064 -17.090 3.304 1.00 0.00 C ATOM 50 C SER A 6 15.776 -15.918 2.370 1.00 0.00 C ATOM 51 O SER A 6 14.772 -15.908 1.659 1.00 0.00 O ATOM 52 CB SER A 6 15.775 -18.410 2.587 1.00 0.00 C ATOM 53 OG SER A 6 16.026 -19.517 3.435 1.00 0.00 O ATOM 0 H SER A 6 14.263 -16.918 4.364 1.00 0.00 H new ATOM 0 HA SER A 6 17.117 -17.059 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.736 -18.429 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.394 -18.485 1.693 1.00 0.00 H new ATOM 0 HG SER A 6 15.832 -20.348 2.954 1.00 0.00 H new ATOM 59 N GLY A 7 16.666 -14.930 2.379 1.00 0.00 N ATOM 60 CA GLY A 7 16.491 -13.766 1.530 1.00 0.00 C ATOM 61 C GLY A 7 16.772 -12.468 2.260 1.00 0.00 C ATOM 62 O GLY A 7 17.337 -12.456 3.354 1.00 0.00 O ATOM 0 H GLY A 7 17.505 -14.915 2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.154 -13.846 0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.471 -13.750 1.147 1.00 0.00 H new ATOM 66 N PRO A 8 16.375 -11.342 1.649 1.00 0.00 N ATOM 67 CA PRO A 8 16.578 -10.012 2.230 1.00 0.00 C ATOM 68 C PRO A 8 15.701 -9.773 3.454 1.00 0.00 C ATOM 69 O PRO A 8 14.853 -10.599 3.794 1.00 0.00 O ATOM 70 CB PRO A 8 16.181 -9.065 1.095 1.00 0.00 C ATOM 71 CG PRO A 8 15.234 -9.853 0.257 1.00 0.00 C ATOM 72 CD PRO A 8 15.695 -11.282 0.344 1.00 0.00 C ATOM 0 HA PRO A 8 17.600 -9.873 2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.710 -8.161 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.051 -8.750 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.212 -9.750 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.242 -9.503 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.858 -11.978 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.370 -11.537 -0.473 1.00 0.00 H new ATOM 80 N LYS A 9 15.909 -8.639 4.113 1.00 0.00 N ATOM 81 CA LYS A 9 15.136 -8.290 5.299 1.00 0.00 C ATOM 82 C LYS A 9 13.969 -7.376 4.939 1.00 0.00 C ATOM 83 O LYS A 9 14.018 -6.618 3.970 1.00 0.00 O ATOM 84 CB LYS A 9 16.032 -7.605 6.334 1.00 0.00 C ATOM 85 CG LYS A 9 17.277 -8.402 6.683 1.00 0.00 C ATOM 86 CD LYS A 9 17.007 -9.396 7.801 1.00 0.00 C ATOM 87 CE LYS A 9 16.911 -8.703 9.151 1.00 0.00 C ATOM 88 NZ LYS A 9 18.240 -8.591 9.813 1.00 0.00 N ATOM 0 H LYS A 9 16.607 -7.945 3.846 1.00 0.00 H new ATOM 0 HA LYS A 9 14.736 -9.210 5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.331 -6.628 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.456 -7.431 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.629 -8.934 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 9 18.073 -7.721 6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.079 -9.930 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.803 -10.140 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.486 -7.708 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.230 -9.258 9.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.132 -8.113 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.635 -9.542 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.883 -8.040 9.209 1.00 0.00 H new ATOM 102 N PRO A 10 12.892 -7.447 5.736 1.00 0.00 N ATOM 103 CA PRO A 10 11.693 -6.632 5.521 1.00 0.00 C ATOM 104 C PRO A 10 11.935 -5.156 5.816 1.00 0.00 C ATOM 105 O PRO A 10 12.738 -4.793 6.676 1.00 0.00 O ATOM 106 CB PRO A 10 10.684 -7.217 6.513 1.00 0.00 C ATOM 107 CG PRO A 10 11.519 -7.826 7.587 1.00 0.00 C ATOM 108 CD PRO A 10 12.763 -8.328 6.909 1.00 0.00 C ATOM 0 HA PRO A 10 11.359 -6.664 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.027 -6.444 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.047 -7.962 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.762 -7.092 8.356 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.988 -8.640 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.633 -8.257 7.562 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.667 -9.374 6.617 1.00 0.00 H new ATOM 116 N PRO A 11 11.225 -4.282 5.086 1.00 0.00 N ATOM 117 CA PRO A 11 11.346 -2.830 5.252 1.00 0.00 C ATOM 118 C PRO A 11 10.763 -2.348 6.577 1.00 0.00 C ATOM 119 O PRO A 11 9.858 -2.972 7.131 1.00 0.00 O ATOM 120 CB PRO A 11 10.539 -2.271 4.078 1.00 0.00 C ATOM 121 CG PRO A 11 9.558 -3.342 3.748 1.00 0.00 C ATOM 122 CD PRO A 11 10.250 -4.644 4.044 1.00 0.00 C ATOM 0 HA PRO A 11 12.387 -2.506 5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.036 -1.343 4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.182 -2.047 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.651 -3.238 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.259 -3.288 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.549 -5.401 4.395 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.740 -5.049 3.159 1.00 0.00 H new ATOM 130 N ILE A 12 11.288 -1.235 7.078 1.00 0.00 N ATOM 131 CA ILE A 12 10.818 -0.669 8.337 1.00 0.00 C ATOM 132 C ILE A 12 10.250 0.731 8.132 1.00 0.00 C ATOM 133 O ILE A 12 10.274 1.265 7.023 1.00 0.00 O ATOM 134 CB ILE A 12 11.948 -0.605 9.381 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.107 0.248 8.859 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.429 -2.005 9.729 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.211 0.452 9.873 1.00 0.00 C ATOM 0 H ILE A 12 12.038 -0.707 6.632 1.00 0.00 H new ATOM 0 HA ILE A 12 10.031 -1.327 8.705 1.00 0.00 H new ATOM 0 HB ILE A 12 11.559 -0.141 10.287 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.524 -0.225 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.722 1.221 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.228 -1.942 10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.601 -2.583 10.138 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.804 -2.495 8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 12 14.999 1.065 9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.808 0.953 10.753 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.623 -0.515 10.162 1.00 0.00 H new ATOM 149 N ASP A 13 9.741 1.320 9.208 1.00 0.00 N ATOM 150 CA ASP A 13 9.168 2.660 9.147 1.00 0.00 C ATOM 151 C ASP A 13 7.991 2.704 8.178 1.00 0.00 C ATOM 152 O ASP A 13 7.773 3.706 7.496 1.00 0.00 O ATOM 153 CB ASP A 13 10.232 3.673 8.724 1.00 0.00 C ATOM 154 CG ASP A 13 9.953 5.064 9.259 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.351 5.171 10.348 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.338 6.045 8.589 1.00 0.00 O ATOM 0 H ASP A 13 9.713 0.891 10.133 1.00 0.00 H new ATOM 0 HA ASP A 13 8.806 2.920 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.208 3.340 9.078 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.283 3.709 7.636 1.00 0.00 H new ATOM 161 N LEU A 14 7.236 1.613 8.123 1.00 0.00 N ATOM 162 CA LEU A 14 6.080 1.527 7.236 1.00 0.00 C ATOM 163 C LEU A 14 4.966 2.459 7.702 1.00 0.00 C ATOM 164 O LEU A 14 4.185 2.115 8.590 1.00 0.00 O ATOM 165 CB LEU A 14 5.565 0.088 7.176 1.00 0.00 C ATOM 166 CG LEU A 14 4.869 -0.322 5.878 1.00 0.00 C ATOM 167 CD1 LEU A 14 5.768 -0.052 4.681 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.470 -1.790 5.927 1.00 0.00 C ATOM 0 H LEU A 14 7.403 0.776 8.681 1.00 0.00 H new ATOM 0 HA LEU A 14 6.394 1.836 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.406 -0.585 7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.869 -0.062 8.001 1.00 0.00 H new ATOM 0 HG LEU A 14 3.965 0.276 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.255 -0.350 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.003 1.011 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.691 -0.623 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.976 -2.064 4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.360 -2.405 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.788 -1.954 6.761 1.00 0.00 H new ATOM 180 N VAL A 15 4.897 3.639 7.095 1.00 0.00 N ATOM 181 CA VAL A 15 3.876 4.620 7.445 1.00 0.00 C ATOM 182 C VAL A 15 3.420 5.400 6.217 1.00 0.00 C ATOM 183 O VAL A 15 4.181 5.586 5.268 1.00 0.00 O ATOM 184 CB VAL A 15 4.389 5.610 8.507 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.231 6.170 9.319 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.410 4.937 9.412 1.00 0.00 C ATOM 0 H VAL A 15 5.536 3.939 6.359 1.00 0.00 H new ATOM 0 HA VAL A 15 3.031 4.066 7.854 1.00 0.00 H new ATOM 0 HB VAL A 15 4.879 6.440 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.613 6.868 10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.540 6.690 8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.709 5.354 9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.762 5.651 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.947 4.087 9.914 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.253 4.590 8.815 1.00 0.00 H new ATOM 196 N VAL A 16 2.171 5.856 6.243 1.00 0.00 N ATOM 197 CA VAL A 16 1.613 6.618 5.132 1.00 0.00 C ATOM 198 C VAL A 16 1.500 8.098 5.483 1.00 0.00 C ATOM 199 O VAL A 16 0.923 8.462 6.508 1.00 0.00 O ATOM 200 CB VAL A 16 0.223 6.090 4.731 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.556 5.649 5.961 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.545 7.148 3.954 1.00 0.00 C ATOM 0 H VAL A 16 1.527 5.711 7.021 1.00 0.00 H new ATOM 0 HA VAL A 16 2.296 6.497 4.291 1.00 0.00 H new ATOM 0 HB VAL A 16 0.356 5.223 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.535 5.279 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.011 4.856 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.681 6.496 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.525 6.758 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.669 8.036 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.008 7.410 3.052 1.00 0.00 H new ATOM 212 N THR A 17 2.055 8.948 4.625 1.00 0.00 N ATOM 213 CA THR A 17 2.018 10.388 4.844 1.00 0.00 C ATOM 214 C THR A 17 0.732 10.995 4.294 1.00 0.00 C ATOM 215 O THR A 17 0.082 11.800 4.959 1.00 0.00 O ATOM 216 CB THR A 17 3.223 11.088 4.188 1.00 0.00 C ATOM 217 OG1 THR A 17 3.242 12.473 4.549 1.00 0.00 O ATOM 218 CG2 THR A 17 3.168 10.954 2.673 1.00 0.00 C ATOM 0 H THR A 17 2.536 8.664 3.772 1.00 0.00 H new ATOM 0 HA THR A 17 2.059 10.544 5.922 1.00 0.00 H new ATOM 0 HB THR A 17 4.133 10.607 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.012 12.910 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.029 11.456 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.184 9.899 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.251 11.411 2.300 1.00 0.00 H new ATOM 226 N GLU A 18 0.371 10.602 3.076 1.00 0.00 N ATOM 227 CA GLU A 18 -0.838 11.108 2.438 1.00 0.00 C ATOM 228 C GLU A 18 -1.763 9.962 2.038 1.00 0.00 C ATOM 229 O GLU A 18 -1.308 8.860 1.730 1.00 0.00 O ATOM 230 CB GLU A 18 -0.481 11.944 1.207 1.00 0.00 C ATOM 231 CG GLU A 18 0.062 13.322 1.544 1.00 0.00 C ATOM 232 CD GLU A 18 0.090 14.248 0.343 1.00 0.00 C ATOM 233 OE1 GLU A 18 -0.972 14.430 -0.288 1.00 0.00 O ATOM 234 OE2 GLU A 18 1.172 14.789 0.035 1.00 0.00 O ATOM 0 H GLU A 18 0.898 9.935 2.512 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.360 11.739 3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.259 11.406 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.368 12.055 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.550 13.768 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.071 13.223 1.945 1.00 0.00 H new ATOM 241 N THR A 19 -3.065 10.230 2.044 1.00 0.00 N ATOM 242 CA THR A 19 -4.054 9.222 1.684 1.00 0.00 C ATOM 243 C THR A 19 -5.179 9.829 0.852 1.00 0.00 C ATOM 244 O THR A 19 -5.982 10.615 1.354 1.00 0.00 O ATOM 245 CB THR A 19 -4.658 8.555 2.934 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.663 9.479 4.028 1.00 0.00 O ATOM 247 CG2 THR A 19 -3.871 7.312 3.318 1.00 0.00 C ATOM 0 H THR A 19 -3.459 11.137 2.294 1.00 0.00 H new ATOM 0 HA THR A 19 -3.535 8.467 1.094 1.00 0.00 H new ATOM 0 HB THR A 19 -5.682 8.260 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.050 9.048 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.316 6.858 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.893 6.598 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.838 7.587 3.532 1.00 0.00 H new ATOM 255 N THR A 20 -5.232 9.458 -0.424 1.00 0.00 N ATOM 256 CA THR A 20 -6.258 9.965 -1.325 1.00 0.00 C ATOM 257 C THR A 20 -7.444 9.011 -1.402 1.00 0.00 C ATOM 258 O THR A 20 -7.332 7.837 -1.049 1.00 0.00 O ATOM 259 CB THR A 20 -5.699 10.187 -2.744 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.295 10.460 -2.680 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.415 11.339 -3.433 1.00 0.00 C ATOM 0 H THR A 20 -4.575 8.808 -0.856 1.00 0.00 H new ATOM 0 HA THR A 20 -6.591 10.920 -0.919 1.00 0.00 H new ATOM 0 HB THR A 20 -5.865 9.279 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.010 10.903 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.004 11.477 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.479 11.114 -3.506 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.276 12.252 -2.854 1.00 0.00 H new ATOM 269 N ALA A 21 -8.580 9.522 -1.865 1.00 0.00 N ATOM 270 CA ALA A 21 -9.786 8.713 -1.991 1.00 0.00 C ATOM 271 C ALA A 21 -9.559 7.530 -2.925 1.00 0.00 C ATOM 272 O ALA A 21 -10.146 6.462 -2.746 1.00 0.00 O ATOM 273 CB ALA A 21 -10.944 9.566 -2.487 1.00 0.00 C ATOM 0 H ALA A 21 -8.690 10.492 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.035 8.320 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.838 8.949 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.130 10.374 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.695 9.987 -3.461 1.00 0.00 H new ATOM 279 N THR A 22 -8.704 7.726 -3.924 1.00 0.00 N ATOM 280 CA THR A 22 -8.401 6.676 -4.888 1.00 0.00 C ATOM 281 C THR A 22 -6.900 6.424 -4.973 1.00 0.00 C ATOM 282 O THR A 22 -6.425 5.749 -5.886 1.00 0.00 O ATOM 283 CB THR A 22 -8.931 7.030 -6.290 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.233 8.170 -6.804 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.424 7.320 -6.247 1.00 0.00 C ATOM 0 H THR A 22 -8.209 8.603 -4.086 1.00 0.00 H new ATOM 0 HA THR A 22 -8.899 5.772 -4.537 1.00 0.00 H new ATOM 0 HB THR A 22 -8.762 6.175 -6.945 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.575 8.388 -7.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.776 7.568 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.955 6.441 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.612 8.160 -5.578 1.00 0.00 H new ATOM 293 N SER A 23 -6.158 6.970 -4.016 1.00 0.00 N ATOM 294 CA SER A 23 -4.709 6.807 -3.984 1.00 0.00 C ATOM 295 C SER A 23 -4.188 6.849 -2.551 1.00 0.00 C ATOM 296 O SER A 23 -4.908 7.228 -1.627 1.00 0.00 O ATOM 297 CB SER A 23 -4.034 7.898 -4.817 1.00 0.00 C ATOM 298 OG SER A 23 -4.576 7.951 -6.125 1.00 0.00 O ATOM 0 H SER A 23 -6.536 7.530 -3.252 1.00 0.00 H new ATOM 0 HA SER A 23 -4.468 5.833 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.161 8.864 -4.328 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.962 7.707 -4.872 1.00 0.00 H new ATOM 0 HG SER A 23 -4.129 8.657 -6.636 1.00 0.00 H new ATOM 304 N VAL A 24 -2.931 6.456 -2.373 1.00 0.00 N ATOM 305 CA VAL A 24 -2.311 6.449 -1.053 1.00 0.00 C ATOM 306 C VAL A 24 -0.793 6.539 -1.158 1.00 0.00 C ATOM 307 O VAL A 24 -0.194 6.034 -2.108 1.00 0.00 O ATOM 308 CB VAL A 24 -2.687 5.181 -0.264 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.696 3.966 -1.178 1.00 0.00 C ATOM 310 CG2 VAL A 24 -1.729 4.976 0.900 1.00 0.00 C ATOM 0 H VAL A 24 -2.322 6.138 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.687 7.323 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.692 5.309 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.964 3.080 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.425 4.115 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.706 3.831 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.009 4.076 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.713 4.869 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.778 5.836 1.568 1.00 0.00 H new ATOM 320 N THR A 25 -0.174 7.185 -0.175 1.00 0.00 N ATOM 321 CA THR A 25 1.274 7.342 -0.156 1.00 0.00 C ATOM 322 C THR A 25 1.891 6.616 1.035 1.00 0.00 C ATOM 323 O THR A 25 1.626 6.959 2.188 1.00 0.00 O ATOM 324 CB THR A 25 1.678 8.828 -0.102 1.00 0.00 C ATOM 325 OG1 THR A 25 0.956 9.568 -1.093 1.00 0.00 O ATOM 326 CG2 THR A 25 3.173 8.991 -0.329 1.00 0.00 C ATOM 0 H THR A 25 -0.654 7.608 0.619 1.00 0.00 H new ATOM 0 HA THR A 25 1.651 6.904 -1.080 1.00 0.00 H new ATOM 0 HB THR A 25 1.433 9.213 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.328 10.472 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.434 10.048 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.719 8.451 0.444 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.438 8.591 -1.308 1.00 0.00 H new ATOM 334 N LEU A 26 2.714 5.614 0.749 1.00 0.00 N ATOM 335 CA LEU A 26 3.369 4.839 1.797 1.00 0.00 C ATOM 336 C LEU A 26 4.870 5.113 1.819 1.00 0.00 C ATOM 337 O LEU A 26 5.476 5.394 0.784 1.00 0.00 O ATOM 338 CB LEU A 26 3.115 3.345 1.590 1.00 0.00 C ATOM 339 CG LEU A 26 3.237 2.465 2.834 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.016 2.629 3.726 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.419 1.006 2.439 1.00 0.00 C ATOM 0 H LEU A 26 2.944 5.319 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 26 2.948 5.143 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.113 3.221 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.816 2.978 0.840 1.00 0.00 H new ATOM 0 HG LEU A 26 4.116 2.782 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.121 1.995 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.930 3.670 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.121 2.340 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.504 0.394 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.559 0.677 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.324 0.901 1.841 1.00 0.00 H new ATOM 353 N THR A 27 5.465 5.027 3.004 1.00 0.00 N ATOM 354 CA THR A 27 6.894 5.264 3.161 1.00 0.00 C ATOM 355 C THR A 27 7.535 4.199 4.044 1.00 0.00 C ATOM 356 O THR A 27 6.879 3.622 4.911 1.00 0.00 O ATOM 357 CB THR A 27 7.170 6.652 3.769 1.00 0.00 C ATOM 358 OG1 THR A 27 6.831 6.654 5.161 1.00 0.00 O ATOM 359 CG2 THR A 27 6.373 7.728 3.047 1.00 0.00 C ATOM 0 H THR A 27 4.979 4.795 3.870 1.00 0.00 H new ATOM 0 HA THR A 27 7.333 5.218 2.164 1.00 0.00 H new ATOM 0 HB THR A 27 8.232 6.869 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.925 6.299 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.585 8.699 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.654 7.744 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.308 7.512 3.135 1.00 0.00 H new ATOM 367 N TRP A 28 8.818 3.943 3.817 1.00 0.00 N ATOM 368 CA TRP A 28 9.547 2.947 4.594 1.00 0.00 C ATOM 369 C TRP A 28 11.051 3.086 4.383 1.00 0.00 C ATOM 370 O TRP A 28 11.503 3.941 3.622 1.00 0.00 O ATOM 371 CB TRP A 28 9.094 1.538 4.207 1.00 0.00 C ATOM 372 CG TRP A 28 9.457 1.161 2.803 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.584 0.506 2.395 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.691 1.420 1.621 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.565 0.341 1.031 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.414 0.892 0.533 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.465 2.043 1.376 1.00 0.00 C ATOM 378 CZ2 TRP A 28 8.949 0.972 -0.777 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.005 2.122 0.075 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.746 1.588 -0.988 1.00 0.00 C ATOM 0 H TRP A 28 9.375 4.411 3.102 1.00 0.00 H new ATOM 0 HA TRP A 28 9.330 3.115 5.649 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.539 0.819 4.895 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.013 1.466 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.374 0.167 3.049 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.290 -0.117 0.479 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.886 2.456 2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.518 0.562 -1.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.059 2.603 -0.126 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.360 1.664 -1.994 1.00 0.00 H new ATOM 391 N ASP A 29 11.820 2.241 5.061 1.00 0.00 N ATOM 392 CA ASP A 29 13.273 2.270 4.947 1.00 0.00 C ATOM 393 C ASP A 29 13.803 0.940 4.420 1.00 0.00 C ATOM 394 O ASP A 29 13.200 -0.110 4.640 1.00 0.00 O ATOM 395 CB ASP A 29 13.907 2.585 6.303 1.00 0.00 C ATOM 396 CG ASP A 29 15.361 2.995 6.181 1.00 0.00 C ATOM 397 OD1 ASP A 29 15.628 4.068 5.600 1.00 0.00 O ATOM 398 OD2 ASP A 29 16.232 2.245 6.668 1.00 0.00 O ATOM 0 H ASP A 29 11.461 1.527 5.695 1.00 0.00 H new ATOM 0 HA ASP A 29 13.542 3.054 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.346 3.385 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.832 1.709 6.948 1.00 0.00 H new ATOM 403 N SER A 30 14.933 0.994 3.722 1.00 0.00 N ATOM 404 CA SER A 30 15.542 -0.206 3.160 1.00 0.00 C ATOM 405 C SER A 30 15.531 -1.347 4.173 1.00 0.00 C ATOM 406 O SER A 30 15.136 -2.468 3.858 1.00 0.00 O ATOM 407 CB SER A 30 16.977 0.085 2.717 1.00 0.00 C ATOM 408 OG SER A 30 17.025 1.192 1.834 1.00 0.00 O ATOM 0 H SER A 30 15.445 1.855 3.532 1.00 0.00 H new ATOM 0 HA SER A 30 14.956 -0.509 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.597 0.286 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.394 -0.794 2.226 1.00 0.00 H new ATOM 0 HG SER A 30 17.953 1.358 1.567 1.00 0.00 H new ATOM 414 N GLY A 31 15.970 -1.051 5.393 1.00 0.00 N ATOM 415 CA GLY A 31 16.003 -2.061 6.434 1.00 0.00 C ATOM 416 C GLY A 31 17.165 -3.021 6.274 1.00 0.00 C ATOM 417 O GLY A 31 17.891 -3.292 7.230 1.00 0.00 O ATOM 0 H GLY A 31 16.303 -0.130 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.070 -1.574 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.068 -2.622 6.422 1.00 0.00 H new ATOM 421 N ASN A 32 17.341 -3.538 5.062 1.00 0.00 N ATOM 422 CA ASN A 32 18.421 -4.475 4.781 1.00 0.00 C ATOM 423 C ASN A 32 19.700 -3.734 4.401 1.00 0.00 C ATOM 424 O ASN A 32 19.652 -2.617 3.885 1.00 0.00 O ATOM 425 CB ASN A 32 18.018 -5.428 3.653 1.00 0.00 C ATOM 426 CG ASN A 32 17.055 -4.787 2.672 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.456 -3.991 1.823 1.00 0.00 O ATOM 428 ND2 ASN A 32 15.778 -5.132 2.785 1.00 0.00 N ATOM 0 H ASN A 32 16.749 -3.323 4.259 1.00 0.00 H new ATOM 0 HA ASN A 32 18.611 -5.052 5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.911 -5.755 3.120 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.558 -6.319 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.084 -4.733 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.491 -5.796 3.504 1.00 0.00 H new ATOM 435 N SER A 33 20.841 -4.363 4.660 1.00 0.00 N ATOM 436 CA SER A 33 22.133 -3.763 4.349 1.00 0.00 C ATOM 437 C SER A 33 22.620 -4.203 2.972 1.00 0.00 C ATOM 438 O SER A 33 23.267 -3.439 2.257 1.00 0.00 O ATOM 439 CB SER A 33 23.165 -4.142 5.413 1.00 0.00 C ATOM 440 OG SER A 33 23.772 -5.387 5.113 1.00 0.00 O ATOM 0 H SER A 33 20.897 -5.289 5.085 1.00 0.00 H new ATOM 0 HA SER A 33 22.010 -2.680 4.342 1.00 0.00 H new ATOM 0 HB2 SER A 33 23.929 -3.367 5.476 1.00 0.00 H new ATOM 0 HB3 SER A 33 22.683 -4.194 6.389 1.00 0.00 H new ATOM 0 HG SER A 33 24.429 -5.606 5.807 1.00 0.00 H new ATOM 446 N GLU A 34 22.302 -5.442 2.607 1.00 0.00 N ATOM 447 CA GLU A 34 22.708 -5.985 1.316 1.00 0.00 C ATOM 448 C GLU A 34 21.969 -5.288 0.177 1.00 0.00 C ATOM 449 O GLU A 34 20.875 -4.750 0.350 1.00 0.00 O ATOM 450 CB GLU A 34 22.442 -7.491 1.266 1.00 0.00 C ATOM 451 CG GLU A 34 23.616 -8.332 1.739 1.00 0.00 C ATOM 452 CD GLU A 34 23.326 -9.819 1.688 1.00 0.00 C ATOM 453 OE1 GLU A 34 23.369 -10.395 0.581 1.00 0.00 O ATOM 454 OE2 GLU A 34 23.056 -10.407 2.757 1.00 0.00 O ATOM 0 H GLU A 34 21.765 -6.087 3.187 1.00 0.00 H new ATOM 0 HA GLU A 34 23.777 -5.808 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.572 -7.718 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.192 -7.774 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 24.487 -8.114 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 34 23.872 -8.050 2.760 1.00 0.00 H new ATOM 461 N PRO A 35 22.580 -5.298 -1.017 1.00 0.00 N ATOM 462 CA PRO A 35 22.000 -4.672 -2.209 1.00 0.00 C ATOM 463 C PRO A 35 20.775 -5.424 -2.720 1.00 0.00 C ATOM 464 O PRO A 35 20.884 -6.547 -3.211 1.00 0.00 O ATOM 465 CB PRO A 35 23.135 -4.739 -3.233 1.00 0.00 C ATOM 466 CG PRO A 35 23.972 -5.891 -2.797 1.00 0.00 C ATOM 467 CD PRO A 35 23.885 -5.921 -1.296 1.00 0.00 C ATOM 0 HA PRO A 35 21.649 -3.660 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 35 22.750 -4.889 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 35 23.711 -3.814 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 35 23.607 -6.824 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 35 25.004 -5.770 -3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 35 23.934 -6.940 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 35 24.702 -5.366 -0.835 1.00 0.00 H new ATOM 475 N VAL A 36 19.609 -4.796 -2.602 1.00 0.00 N ATOM 476 CA VAL A 36 18.364 -5.405 -3.054 1.00 0.00 C ATOM 477 C VAL A 36 17.993 -4.925 -4.452 1.00 0.00 C ATOM 478 O VAL A 36 18.278 -3.787 -4.826 1.00 0.00 O ATOM 479 CB VAL A 36 17.204 -5.092 -2.090 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.075 -6.095 -2.270 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.695 -5.083 -0.651 1.00 0.00 C ATOM 0 H VAL A 36 19.501 -3.866 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 36 18.528 -6.482 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 36 16.818 -4.100 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.264 -5.858 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.706 -6.047 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.444 -7.100 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.862 -4.860 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.108 -6.060 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.467 -4.322 -0.535 1.00 0.00 H new ATOM 491 N THR A 37 17.353 -5.799 -5.222 1.00 0.00 N ATOM 492 CA THR A 37 16.943 -5.465 -6.580 1.00 0.00 C ATOM 493 C THR A 37 15.752 -4.513 -6.576 1.00 0.00 C ATOM 494 O THR A 37 15.769 -3.480 -7.246 1.00 0.00 O ATOM 495 CB THR A 37 16.574 -6.727 -7.382 1.00 0.00 C ATOM 496 OG1 THR A 37 17.665 -7.655 -7.365 1.00 0.00 O ATOM 497 CG2 THR A 37 16.226 -6.372 -8.820 1.00 0.00 C ATOM 0 H THR A 37 17.107 -6.744 -4.928 1.00 0.00 H new ATOM 0 HA THR A 37 17.794 -4.977 -7.056 1.00 0.00 H new ATOM 0 HB THR A 37 15.701 -7.184 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.422 -8.455 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.969 -7.279 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.377 -5.689 -8.831 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.083 -5.893 -9.294 1.00 0.00 H new ATOM 505 N TYR A 38 14.721 -4.867 -5.818 1.00 0.00 N ATOM 506 CA TYR A 38 13.520 -4.045 -5.728 1.00 0.00 C ATOM 507 C TYR A 38 12.655 -4.470 -4.546 1.00 0.00 C ATOM 508 O TYR A 38 12.875 -5.524 -3.949 1.00 0.00 O ATOM 509 CB TYR A 38 12.714 -4.139 -7.025 1.00 0.00 C ATOM 510 CG TYR A 38 11.961 -5.442 -7.176 1.00 0.00 C ATOM 511 CD1 TYR A 38 10.680 -5.591 -6.658 1.00 0.00 C ATOM 512 CD2 TYR A 38 12.530 -6.524 -7.835 1.00 0.00 C ATOM 513 CE1 TYR A 38 9.989 -6.779 -6.793 1.00 0.00 C ATOM 514 CE2 TYR A 38 11.846 -7.716 -7.976 1.00 0.00 C ATOM 515 CZ TYR A 38 10.575 -7.838 -7.453 1.00 0.00 C ATOM 516 OH TYR A 38 9.891 -9.024 -7.590 1.00 0.00 O ATOM 0 H TYR A 38 14.692 -5.718 -5.257 1.00 0.00 H new ATOM 0 HA TYR A 38 13.829 -3.011 -5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 38 12.005 -3.312 -7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.389 -4.019 -7.872 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.217 -4.764 -6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.525 -6.432 -8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.995 -6.878 -6.384 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.303 -8.547 -8.492 1.00 0.00 H new ATOM 0 HH TYR A 38 10.445 -9.666 -8.081 1.00 0.00 H new ATOM 526 N TYR A 39 11.670 -3.643 -4.214 1.00 0.00 N ATOM 527 CA TYR A 39 10.772 -3.931 -3.102 1.00 0.00 C ATOM 528 C TYR A 39 9.330 -4.053 -3.585 1.00 0.00 C ATOM 529 O TYR A 39 8.754 -3.098 -4.104 1.00 0.00 O ATOM 530 CB TYR A 39 10.875 -2.837 -2.039 1.00 0.00 C ATOM 531 CG TYR A 39 12.228 -2.771 -1.366 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.360 -2.388 -2.075 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.374 -3.094 -0.023 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.598 -2.328 -1.465 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.608 -3.035 0.596 1.00 0.00 C ATOM 536 CZ TYR A 39 14.717 -2.652 -0.129 1.00 0.00 C ATOM 537 OH TYR A 39 15.948 -2.593 0.483 1.00 0.00 O ATOM 0 H TYR A 39 11.473 -2.768 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 39 11.071 -4.883 -2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.661 -1.873 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.110 -3.005 -1.281 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.270 -2.133 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.508 -3.396 0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.468 -2.029 -2.031 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.704 -3.287 1.642 1.00 0.00 H new ATOM 0 HH TYR A 39 16.115 -3.431 0.964 1.00 0.00 H new ATOM 547 N GLY A 40 8.751 -5.237 -3.407 1.00 0.00 N ATOM 548 CA GLY A 40 7.381 -5.464 -3.829 1.00 0.00 C ATOM 549 C GLY A 40 6.374 -4.822 -2.895 1.00 0.00 C ATOM 550 O GLY A 40 6.706 -4.463 -1.765 1.00 0.00 O ATOM 0 H GLY A 40 9.206 -6.043 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.243 -5.068 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.193 -6.536 -3.880 1.00 0.00 H new ATOM 554 N ILE A 41 5.141 -4.677 -3.368 1.00 0.00 N ATOM 555 CA ILE A 41 4.082 -4.074 -2.567 1.00 0.00 C ATOM 556 C ILE A 41 2.779 -4.854 -2.702 1.00 0.00 C ATOM 557 O ILE A 41 2.359 -5.193 -3.807 1.00 0.00 O ATOM 558 CB ILE A 41 3.835 -2.609 -2.973 1.00 0.00 C ATOM 559 CG1 ILE A 41 5.119 -1.791 -2.819 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.715 -2.009 -2.136 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.960 -0.338 -3.209 1.00 0.00 C ATOM 0 H ILE A 41 4.850 -4.969 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 41 4.414 -4.104 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 41 3.533 -2.583 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.453 -1.846 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.902 -2.240 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.552 -0.973 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.799 -2.580 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.990 -2.044 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.909 0.181 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.656 -0.273 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.200 0.127 -2.580 1.00 0.00 H new ATOM 573 N GLN A 42 2.143 -5.133 -1.568 1.00 0.00 N ATOM 574 CA GLN A 42 0.886 -5.872 -1.560 1.00 0.00 C ATOM 575 C GLN A 42 -0.193 -5.102 -0.805 1.00 0.00 C ATOM 576 O GLN A 42 0.083 -4.460 0.209 1.00 0.00 O ATOM 577 CB GLN A 42 1.085 -7.250 -0.926 1.00 0.00 C ATOM 578 CG GLN A 42 1.709 -8.268 -1.867 1.00 0.00 C ATOM 579 CD GLN A 42 3.066 -7.831 -2.382 1.00 0.00 C ATOM 580 OE1 GLN A 42 3.389 -8.023 -3.555 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.870 -7.240 -1.506 1.00 0.00 N ATOM 0 H GLN A 42 2.477 -4.859 -0.644 1.00 0.00 H new ATOM 0 HA GLN A 42 0.561 -5.999 -2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.717 -7.147 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.121 -7.626 -0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.811 -9.221 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.040 -8.434 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.562 -7.101 -0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.796 -6.925 -1.795 1.00 0.00 H new ATOM 590 N TYR A 43 -1.421 -5.171 -1.305 1.00 0.00 N ATOM 591 CA TYR A 43 -2.541 -4.479 -0.680 1.00 0.00 C ATOM 592 C TYR A 43 -3.872 -5.037 -1.174 1.00 0.00 C ATOM 593 O TYR A 43 -3.966 -5.554 -2.288 1.00 0.00 O ATOM 594 CB TYR A 43 -2.466 -2.979 -0.968 1.00 0.00 C ATOM 595 CG TYR A 43 -2.546 -2.641 -2.440 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.419 -2.707 -3.250 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.748 -2.254 -3.020 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.487 -2.399 -4.595 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.826 -1.945 -4.364 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.693 -2.018 -5.147 1.00 0.00 C ATOM 601 OH TYR A 43 -2.766 -1.710 -6.487 1.00 0.00 O ATOM 0 H TYR A 43 -1.666 -5.700 -2.142 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.478 -4.639 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.278 -2.476 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.533 -2.586 -0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.474 -3.004 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.637 -2.194 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.602 -2.456 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.769 -1.648 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.686 -1.462 -6.716 1.00 0.00 H new ATOM 611 N ARG A 44 -4.899 -4.929 -0.338 1.00 0.00 N ATOM 612 CA ARG A 44 -6.225 -5.424 -0.688 1.00 0.00 C ATOM 613 C ARG A 44 -7.300 -4.741 0.153 1.00 0.00 C ATOM 614 O ARG A 44 -6.994 -3.974 1.066 1.00 0.00 O ATOM 615 CB ARG A 44 -6.296 -6.939 -0.494 1.00 0.00 C ATOM 616 CG ARG A 44 -6.744 -7.354 0.898 1.00 0.00 C ATOM 617 CD ARG A 44 -6.973 -8.855 0.985 1.00 0.00 C ATOM 618 NE ARG A 44 -7.293 -9.282 2.345 1.00 0.00 N ATOM 619 CZ ARG A 44 -7.449 -10.553 2.699 1.00 0.00 C ATOM 620 NH1 ARG A 44 -7.314 -11.516 1.798 1.00 0.00 N ATOM 621 NH2 ARG A 44 -7.740 -10.862 3.956 1.00 0.00 N ATOM 0 H ARG A 44 -4.838 -4.503 0.587 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.406 -5.191 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.984 -7.359 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.315 -7.369 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.991 -7.057 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.663 -6.829 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.786 -9.137 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.081 -9.378 0.641 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.403 -8.565 3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.090 -11.282 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.434 -12.491 2.072 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.844 -10.123 4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.860 -11.838 4.227 1.00 0.00 H new ATOM 635 N ALA A 45 -8.559 -5.026 -0.161 1.00 0.00 N ATOM 636 CA ALA A 45 -9.679 -4.441 0.567 1.00 0.00 C ATOM 637 C ALA A 45 -9.860 -5.110 1.925 1.00 0.00 C ATOM 638 O ALA A 45 -10.304 -6.255 2.010 1.00 0.00 O ATOM 639 CB ALA A 45 -10.956 -4.551 -0.252 1.00 0.00 C ATOM 0 H ALA A 45 -8.829 -5.658 -0.914 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.459 -3.387 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.784 -4.110 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.830 -4.021 -1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.171 -5.601 -0.451 1.00 0.00 H new ATOM 645 N ALA A 46 -9.513 -4.389 2.986 1.00 0.00 N ATOM 646 CA ALA A 46 -9.639 -4.913 4.340 1.00 0.00 C ATOM 647 C ALA A 46 -11.083 -5.293 4.650 1.00 0.00 C ATOM 648 O ALA A 46 -11.921 -4.430 4.905 1.00 0.00 O ATOM 649 CB ALA A 46 -9.132 -3.894 5.350 1.00 0.00 C ATOM 0 H ALA A 46 -9.142 -3.440 2.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.030 -5.814 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.232 -4.299 6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.083 -3.674 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.717 -2.978 5.267 1.00 0.00 H new ATOM 655 N GLY A 47 -11.366 -6.592 4.625 1.00 0.00 N ATOM 656 CA GLY A 47 -12.710 -7.064 4.904 1.00 0.00 C ATOM 657 C GLY A 47 -13.181 -8.100 3.903 1.00 0.00 C ATOM 658 O GLY A 47 -13.509 -9.228 4.272 1.00 0.00 O ATOM 0 H GLY A 47 -10.689 -7.326 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.741 -7.492 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.397 -6.218 4.897 1.00 0.00 H new ATOM 662 N THR A 48 -13.216 -7.717 2.630 1.00 0.00 N ATOM 663 CA THR A 48 -13.653 -8.620 1.572 1.00 0.00 C ATOM 664 C THR A 48 -12.796 -9.880 1.537 1.00 0.00 C ATOM 665 O THR A 48 -11.619 -9.851 1.894 1.00 0.00 O ATOM 666 CB THR A 48 -13.598 -7.937 0.193 1.00 0.00 C ATOM 667 OG1 THR A 48 -14.698 -7.031 0.051 1.00 0.00 O ATOM 668 CG2 THR A 48 -13.638 -8.969 -0.924 1.00 0.00 C ATOM 0 H THR A 48 -12.947 -6.788 2.307 1.00 0.00 H new ATOM 0 HA THR A 48 -14.685 -8.892 1.794 1.00 0.00 H new ATOM 0 HB THR A 48 -12.661 -7.385 0.123 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.655 -6.599 -0.828 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.598 -8.463 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.784 -9.640 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.561 -9.545 -0.854 1.00 0.00 H new ATOM 676 N GLU A 49 -13.395 -10.985 1.104 1.00 0.00 N ATOM 677 CA GLU A 49 -12.685 -12.256 1.022 1.00 0.00 C ATOM 678 C GLU A 49 -12.054 -12.440 -0.355 1.00 0.00 C ATOM 679 O GLU A 49 -12.326 -13.419 -1.049 1.00 0.00 O ATOM 680 CB GLU A 49 -13.637 -13.417 1.318 1.00 0.00 C ATOM 681 CG GLU A 49 -14.489 -13.205 2.558 1.00 0.00 C ATOM 682 CD GLU A 49 -15.149 -14.483 3.038 1.00 0.00 C ATOM 683 OE1 GLU A 49 -14.429 -15.370 3.542 1.00 0.00 O ATOM 684 OE2 GLU A 49 -16.386 -14.595 2.910 1.00 0.00 O ATOM 0 H GLU A 49 -14.369 -11.026 0.805 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.890 -12.247 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.291 -13.567 0.459 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.055 -14.331 1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.867 -12.800 3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.257 -12.462 2.344 1.00 0.00 H new ATOM 691 N GLY A 50 -11.210 -11.489 -0.744 1.00 0.00 N ATOM 692 CA GLY A 50 -10.554 -11.563 -2.037 1.00 0.00 C ATOM 693 C GLY A 50 -9.043 -11.597 -1.919 1.00 0.00 C ATOM 694 O GLY A 50 -8.478 -11.379 -0.847 1.00 0.00 O ATOM 0 H GLY A 50 -10.969 -10.669 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.894 -12.455 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.849 -10.705 -2.640 1.00 0.00 H new ATOM 698 N PRO A 51 -8.365 -11.878 -3.041 1.00 0.00 N ATOM 699 CA PRO A 51 -6.901 -11.947 -3.085 1.00 0.00 C ATOM 700 C PRO A 51 -6.250 -10.579 -2.917 1.00 0.00 C ATOM 701 O PRO A 51 -6.922 -9.549 -2.981 1.00 0.00 O ATOM 702 CB PRO A 51 -6.614 -12.509 -4.480 1.00 0.00 C ATOM 703 CG PRO A 51 -7.800 -12.124 -5.294 1.00 0.00 C ATOM 704 CD PRO A 51 -8.973 -12.149 -4.354 1.00 0.00 C ATOM 0 HA PRO A 51 -6.497 -12.554 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.697 -12.091 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.487 -13.591 -4.453 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.670 -11.133 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.948 -12.818 -6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.714 -11.394 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.480 -13.114 -4.370 1.00 0.00 H new ATOM 712 N PHE A 52 -4.939 -10.574 -2.703 1.00 0.00 N ATOM 713 CA PHE A 52 -4.197 -9.331 -2.526 1.00 0.00 C ATOM 714 C PHE A 52 -3.549 -8.893 -3.836 1.00 0.00 C ATOM 715 O PHE A 52 -3.392 -9.691 -4.759 1.00 0.00 O ATOM 716 CB PHE A 52 -3.126 -9.501 -1.446 1.00 0.00 C ATOM 717 CG PHE A 52 -3.691 -9.723 -0.072 1.00 0.00 C ATOM 718 CD1 PHE A 52 -4.151 -10.973 0.309 1.00 0.00 C ATOM 719 CD2 PHE A 52 -3.760 -8.682 0.840 1.00 0.00 C ATOM 720 CE1 PHE A 52 -4.671 -11.180 1.572 1.00 0.00 C ATOM 721 CE2 PHE A 52 -4.280 -8.883 2.105 1.00 0.00 C ATOM 722 CZ PHE A 52 -4.734 -10.134 2.472 1.00 0.00 C ATOM 0 H PHE A 52 -4.368 -11.417 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.900 -8.559 -2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.487 -10.344 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.492 -8.614 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.103 -11.795 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.403 -7.702 0.559 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.028 -12.159 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.331 -8.062 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.138 -10.295 3.461 1.00 0.00 H new ATOM 732 N GLN A 53 -3.177 -7.619 -3.908 1.00 0.00 N ATOM 733 CA GLN A 53 -2.548 -7.074 -5.105 1.00 0.00 C ATOM 734 C GLN A 53 -1.059 -7.406 -5.137 1.00 0.00 C ATOM 735 O GLN A 53 -0.521 -7.976 -4.188 1.00 0.00 O ATOM 736 CB GLN A 53 -2.746 -5.558 -5.165 1.00 0.00 C ATOM 737 CG GLN A 53 -4.061 -5.141 -5.802 1.00 0.00 C ATOM 738 CD GLN A 53 -4.003 -5.142 -7.317 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.237 -5.894 -7.920 1.00 0.00 O ATOM 740 NE2 GLN A 53 -4.815 -4.297 -7.941 1.00 0.00 N ATOM 0 H GLN A 53 -3.300 -6.945 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.022 -7.530 -5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.697 -5.153 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.923 -5.114 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.850 -5.817 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.329 -4.144 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.434 -3.692 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.820 -4.253 -8.960 1.00 0.00 H new ATOM 749 N GLU A 54 -0.401 -7.046 -6.234 1.00 0.00 N ATOM 750 CA GLU A 54 1.025 -7.307 -6.389 1.00 0.00 C ATOM 751 C GLU A 54 1.672 -6.272 -7.305 1.00 0.00 C ATOM 752 O GLU A 54 1.237 -6.073 -8.439 1.00 0.00 O ATOM 753 CB GLU A 54 1.250 -8.713 -6.950 1.00 0.00 C ATOM 754 CG GLU A 54 2.600 -9.306 -6.582 1.00 0.00 C ATOM 755 CD GLU A 54 2.858 -10.636 -7.263 1.00 0.00 C ATOM 756 OE1 GLU A 54 1.891 -11.400 -7.461 1.00 0.00 O ATOM 757 OE2 GLU A 54 4.029 -10.912 -7.599 1.00 0.00 O ATOM 0 H GLU A 54 -0.832 -6.573 -7.028 1.00 0.00 H new ATOM 0 HA GLU A 54 1.490 -7.237 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.462 -9.371 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.161 -8.680 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.388 -8.604 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.652 -9.439 -5.501 1.00 0.00 H new ATOM 764 N VAL A 55 2.713 -5.616 -6.804 1.00 0.00 N ATOM 765 CA VAL A 55 3.421 -4.601 -7.576 1.00 0.00 C ATOM 766 C VAL A 55 4.930 -4.802 -7.494 1.00 0.00 C ATOM 767 O VAL A 55 5.508 -4.808 -6.407 1.00 0.00 O ATOM 768 CB VAL A 55 3.076 -3.182 -7.087 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.859 -2.142 -7.873 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.580 -2.930 -7.197 1.00 0.00 C ATOM 0 H VAL A 55 3.085 -5.769 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 55 3.099 -4.709 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 55 3.359 -3.099 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.602 -1.145 -7.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.927 -2.312 -7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.609 -2.222 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.354 -1.923 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.269 -3.031 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.043 -3.655 -6.586 1.00 0.00 H new ATOM 780 N ASP A 56 5.563 -4.967 -8.651 1.00 0.00 N ATOM 781 CA ASP A 56 7.006 -5.167 -8.711 1.00 0.00 C ATOM 782 C ASP A 56 7.667 -4.094 -9.571 1.00 0.00 C ATOM 783 O ASP A 56 7.177 -3.758 -10.648 1.00 0.00 O ATOM 784 CB ASP A 56 7.327 -6.554 -9.268 1.00 0.00 C ATOM 785 CG ASP A 56 7.042 -6.662 -10.753 1.00 0.00 C ATOM 786 OD1 ASP A 56 5.858 -6.819 -11.120 1.00 0.00 O ATOM 787 OD2 ASP A 56 8.002 -6.590 -11.548 1.00 0.00 O ATOM 0 H ASP A 56 5.099 -4.966 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 56 7.402 -5.091 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.377 -6.782 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.741 -7.302 -8.733 1.00 0.00 H new ATOM 792 N GLY A 57 8.784 -3.559 -9.086 1.00 0.00 N ATOM 793 CA GLY A 57 9.494 -2.529 -9.822 1.00 0.00 C ATOM 794 C GLY A 57 9.635 -1.244 -9.031 1.00 0.00 C ATOM 795 O GLY A 57 9.643 -0.153 -9.602 1.00 0.00 O ATOM 0 H GLY A 57 9.210 -3.821 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.484 -2.897 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.966 -2.323 -10.753 1.00 0.00 H new ATOM 799 N VAL A 58 9.745 -1.371 -7.713 1.00 0.00 N ATOM 800 CA VAL A 58 9.885 -0.211 -6.841 1.00 0.00 C ATOM 801 C VAL A 58 11.298 -0.116 -6.276 1.00 0.00 C ATOM 802 O VAL A 58 11.572 -0.603 -5.179 1.00 0.00 O ATOM 803 CB VAL A 58 8.880 -0.259 -5.676 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.870 1.064 -4.924 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.488 -0.601 -6.187 1.00 0.00 C ATOM 0 H VAL A 58 9.740 -2.267 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 58 9.680 0.669 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 58 9.191 -1.041 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.154 1.011 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.864 1.263 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.585 1.867 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.790 -0.631 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.166 0.157 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.509 -1.575 -6.676 1.00 0.00 H new ATOM 815 N ALA A 59 12.191 0.515 -7.031 1.00 0.00 N ATOM 816 CA ALA A 59 13.575 0.676 -6.604 1.00 0.00 C ATOM 817 C ALA A 59 13.732 1.892 -5.697 1.00 0.00 C ATOM 818 O ALA A 59 14.806 2.490 -5.623 1.00 0.00 O ATOM 819 CB ALA A 59 14.490 0.796 -7.814 1.00 0.00 C ATOM 0 H ALA A 59 11.980 0.923 -7.942 1.00 0.00 H new ATOM 0 HA ALA A 59 13.859 -0.209 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.521 0.916 -7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.408 -0.104 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.198 1.663 -8.407 1.00 0.00 H new ATOM 825 N THR A 60 12.654 2.253 -5.009 1.00 0.00 N ATOM 826 CA THR A 60 12.671 3.399 -4.108 1.00 0.00 C ATOM 827 C THR A 60 12.115 3.030 -2.738 1.00 0.00 C ATOM 828 O THR A 60 11.530 1.960 -2.560 1.00 0.00 O ATOM 829 CB THR A 60 11.858 4.576 -4.680 1.00 0.00 C ATOM 830 OG1 THR A 60 10.668 4.088 -5.309 1.00 0.00 O ATOM 831 CG2 THR A 60 12.682 5.365 -5.685 1.00 0.00 C ATOM 0 H THR A 60 11.758 1.768 -5.058 1.00 0.00 H new ATOM 0 HA THR A 60 13.712 3.703 -4.004 1.00 0.00 H new ATOM 0 HB THR A 60 11.589 5.238 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.886 4.359 -4.784 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.087 6.191 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.573 5.759 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.978 4.712 -6.506 1.00 0.00 H new ATOM 839 N THR A 61 12.299 3.922 -1.769 1.00 0.00 N ATOM 840 CA THR A 61 11.815 3.689 -0.414 1.00 0.00 C ATOM 841 C THR A 61 10.385 4.190 -0.247 1.00 0.00 C ATOM 842 O THR A 61 9.724 3.890 0.748 1.00 0.00 O ATOM 843 CB THR A 61 12.714 4.380 0.629 1.00 0.00 C ATOM 844 OG1 THR A 61 12.968 5.733 0.237 1.00 0.00 O ATOM 845 CG2 THR A 61 14.031 3.636 0.786 1.00 0.00 C ATOM 0 H THR A 61 12.780 4.812 -1.898 1.00 0.00 H new ATOM 0 HA THR A 61 11.841 2.612 -0.250 1.00 0.00 H new ATOM 0 HB THR A 61 12.194 4.372 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.539 6.166 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.649 4.143 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.835 2.615 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.554 3.617 -0.170 1.00 0.00 H new ATOM 853 N ARG A 62 9.912 4.953 -1.227 1.00 0.00 N ATOM 854 CA ARG A 62 8.559 5.496 -1.188 1.00 0.00 C ATOM 855 C ARG A 62 7.769 5.077 -2.424 1.00 0.00 C ATOM 856 O ARG A 62 8.320 4.980 -3.521 1.00 0.00 O ATOM 857 CB ARG A 62 8.602 7.022 -1.089 1.00 0.00 C ATOM 858 CG ARG A 62 8.674 7.538 0.339 1.00 0.00 C ATOM 859 CD ARG A 62 8.519 9.049 0.394 1.00 0.00 C ATOM 860 NE ARG A 62 9.662 9.739 -0.200 1.00 0.00 N ATOM 861 CZ ARG A 62 10.872 9.761 0.348 1.00 0.00 C ATOM 862 NH1 ARG A 62 11.096 9.136 1.495 1.00 0.00 N ATOM 863 NH2 ARG A 62 11.861 10.410 -0.253 1.00 0.00 N ATOM 0 H ARG A 62 10.445 5.209 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 62 8.059 5.096 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.466 7.389 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.715 7.434 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.892 7.069 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.628 7.253 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.608 9.339 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.404 9.364 1.431 1.00 0.00 H new ATOM 0 HE ARG A 62 9.523 10.230 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.338 8.636 1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.026 9.155 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.692 10.892 -1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.790 10.427 0.168 1.00 0.00 H new ATOM 877 N TYR A 63 6.477 4.830 -2.239 1.00 0.00 N ATOM 878 CA TYR A 63 5.613 4.419 -3.339 1.00 0.00 C ATOM 879 C TYR A 63 4.150 4.712 -3.020 1.00 0.00 C ATOM 880 O TYR A 63 3.737 4.680 -1.861 1.00 0.00 O ATOM 881 CB TYR A 63 5.794 2.928 -3.628 1.00 0.00 C ATOM 882 CG TYR A 63 4.930 2.421 -4.760 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.639 1.965 -4.525 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.404 2.400 -6.066 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.846 1.501 -5.556 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.617 1.939 -7.104 1.00 0.00 C ATOM 887 CZ TYR A 63 3.339 1.490 -6.844 1.00 0.00 C ATOM 888 OH TYR A 63 2.552 1.029 -7.874 1.00 0.00 O ATOM 0 H TYR A 63 6.005 4.907 -1.338 1.00 0.00 H new ATOM 0 HA TYR A 63 5.896 4.991 -4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.840 2.737 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.565 2.361 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.249 1.974 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.404 2.750 -6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.845 1.149 -5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.001 1.930 -8.114 1.00 0.00 H new ATOM 0 HH TYR A 63 3.048 1.089 -8.717 1.00 0.00 H new ATOM 898 N SER A 64 3.370 4.998 -4.058 1.00 0.00 N ATOM 899 CA SER A 64 1.954 5.300 -3.890 1.00 0.00 C ATOM 900 C SER A 64 1.089 4.264 -4.602 1.00 0.00 C ATOM 901 O SER A 64 1.421 3.811 -5.698 1.00 0.00 O ATOM 902 CB SER A 64 1.642 6.698 -4.428 1.00 0.00 C ATOM 903 OG SER A 64 0.260 6.992 -4.313 1.00 0.00 O ATOM 0 H SER A 64 3.695 5.027 -5.024 1.00 0.00 H new ATOM 0 HA SER A 64 1.725 5.269 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.222 7.440 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.946 6.765 -5.473 1.00 0.00 H new ATOM 0 HG SER A 64 0.013 7.037 -3.366 1.00 0.00 H new ATOM 909 N ILE A 65 -0.021 3.895 -3.972 1.00 0.00 N ATOM 910 CA ILE A 65 -0.934 2.914 -4.545 1.00 0.00 C ATOM 911 C ILE A 65 -2.198 3.582 -5.073 1.00 0.00 C ATOM 912 O ILE A 65 -2.758 4.470 -4.431 1.00 0.00 O ATOM 913 CB ILE A 65 -1.327 1.841 -3.512 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.077 1.155 -2.956 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.263 0.819 -4.141 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.511 1.856 -1.751 1.00 0.00 C ATOM 0 H ILE A 65 -0.310 4.261 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.407 2.436 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.850 2.325 -2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.326 0.129 -2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.678 1.103 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.532 0.067 -3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.165 1.320 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.764 0.337 -4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.394 1.315 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.791 2.874 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.228 1.885 -0.950 1.00 0.00 H new ATOM 928 N GLY A 66 -2.645 3.148 -6.248 1.00 0.00 N ATOM 929 CA GLY A 66 -3.841 3.714 -6.842 1.00 0.00 C ATOM 930 C GLY A 66 -4.849 2.654 -7.239 1.00 0.00 C ATOM 931 O GLY A 66 -4.546 1.461 -7.219 1.00 0.00 O ATOM 0 H GLY A 66 -2.199 2.414 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.303 4.403 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.566 4.296 -7.721 1.00 0.00 H new ATOM 935 N GLY A 67 -6.053 3.088 -7.599 1.00 0.00 N ATOM 936 CA GLY A 67 -7.091 2.155 -7.996 1.00 0.00 C ATOM 937 C GLY A 67 -7.918 1.674 -6.820 1.00 0.00 C ATOM 938 O GLY A 67 -8.485 0.581 -6.855 1.00 0.00 O ATOM 0 H GLY A 67 -6.328 4.070 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.745 2.633 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.635 1.297 -8.491 1.00 0.00 H new ATOM 942 N LEU A 68 -7.987 2.490 -5.774 1.00 0.00 N ATOM 943 CA LEU A 68 -8.750 2.142 -4.581 1.00 0.00 C ATOM 944 C LEU A 68 -10.079 2.889 -4.547 1.00 0.00 C ATOM 945 O LEU A 68 -10.391 3.662 -5.453 1.00 0.00 O ATOM 946 CB LEU A 68 -7.940 2.461 -3.323 1.00 0.00 C ATOM 947 CG LEU A 68 -6.466 2.056 -3.352 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.767 2.492 -2.074 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.329 0.554 -3.551 1.00 0.00 C ATOM 0 H LEU A 68 -7.524 3.397 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.957 1.072 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.998 3.534 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.415 1.968 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.988 2.559 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.719 2.195 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.834 3.575 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.247 2.019 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.273 0.284 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.823 0.032 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.793 0.268 -4.495 1.00 0.00 H new ATOM 961 N SER A 69 -10.857 2.655 -3.495 1.00 0.00 N ATOM 962 CA SER A 69 -12.154 3.304 -3.344 1.00 0.00 C ATOM 963 C SER A 69 -12.125 4.315 -2.202 1.00 0.00 C ATOM 964 O SER A 69 -11.402 4.158 -1.217 1.00 0.00 O ATOM 965 CB SER A 69 -13.244 2.261 -3.089 1.00 0.00 C ATOM 966 OG SER A 69 -13.657 1.650 -4.299 1.00 0.00 O ATOM 0 H SER A 69 -10.612 2.021 -2.735 1.00 0.00 H new ATOM 0 HA SER A 69 -12.378 3.833 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.871 1.501 -2.403 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.099 2.734 -2.606 1.00 0.00 H new ATOM 0 HG SER A 69 -14.353 0.986 -4.109 1.00 0.00 H new ATOM 972 N PRO A 70 -12.930 5.380 -2.334 1.00 0.00 N ATOM 973 CA PRO A 70 -13.016 6.438 -1.324 1.00 0.00 C ATOM 974 C PRO A 70 -13.693 5.963 -0.043 1.00 0.00 C ATOM 975 O PRO A 70 -14.722 5.287 -0.086 1.00 0.00 O ATOM 976 CB PRO A 70 -13.863 7.514 -2.008 1.00 0.00 C ATOM 977 CG PRO A 70 -14.677 6.774 -3.012 1.00 0.00 C ATOM 978 CD PRO A 70 -13.819 5.632 -3.481 1.00 0.00 C ATOM 0 HA PRO A 70 -12.031 6.785 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.497 8.034 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.236 8.268 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.604 6.409 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.953 7.422 -3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.417 4.754 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.255 5.894 -4.376 1.00 0.00 H new ATOM 986 N PHE A 71 -13.111 6.320 1.097 1.00 0.00 N ATOM 987 CA PHE A 71 -13.658 5.930 2.391 1.00 0.00 C ATOM 988 C PHE A 71 -13.600 4.416 2.571 1.00 0.00 C ATOM 989 O PHE A 71 -14.587 3.788 2.956 1.00 0.00 O ATOM 990 CB PHE A 71 -15.102 6.416 2.525 1.00 0.00 C ATOM 991 CG PHE A 71 -15.504 6.717 3.941 1.00 0.00 C ATOM 992 CD1 PHE A 71 -14.678 7.463 4.766 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.708 6.253 4.447 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.045 7.740 6.070 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.081 6.528 5.749 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.248 7.273 6.561 1.00 0.00 C ATOM 0 H PHE A 71 -12.260 6.879 1.151 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.052 6.394 3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.233 7.313 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.771 5.658 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -13.737 7.832 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.362 5.670 3.816 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.391 8.321 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.022 6.161 6.131 1.00 0.00 H new ATOM 0 HZ PHE A 71 -16.537 7.490 7.579 1.00 0.00 H new ATOM 1006 N SER A 72 -12.439 3.836 2.288 1.00 0.00 N ATOM 1007 CA SER A 72 -12.253 2.395 2.414 1.00 0.00 C ATOM 1008 C SER A 72 -10.980 2.077 3.193 1.00 0.00 C ATOM 1009 O SER A 72 -10.094 2.921 3.324 1.00 0.00 O ATOM 1010 CB SER A 72 -12.193 1.744 1.030 1.00 0.00 C ATOM 1011 OG SER A 72 -11.070 2.203 0.299 1.00 0.00 O ATOM 0 H SER A 72 -11.612 4.342 1.970 1.00 0.00 H new ATOM 0 HA SER A 72 -13.104 1.991 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.143 0.660 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.106 1.969 0.479 1.00 0.00 H new ATOM 0 HG SER A 72 -11.371 2.622 -0.534 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.898 0.854 3.707 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.734 0.425 4.474 1.00 0.00 C ATOM 1019 C GLU A 73 -8.928 -0.617 3.703 1.00 0.00 C ATOM 1020 O GLU A 73 -9.491 -1.535 3.106 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.169 -0.148 5.824 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.073 -0.126 6.876 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.518 -0.725 8.196 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.242 -1.742 8.172 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -9.142 -0.176 9.253 1.00 0.00 O ATOM 0 H GLU A 73 -11.623 0.143 3.606 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.101 1.296 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.025 0.419 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.504 -1.175 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.208 -0.676 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.751 0.903 7.038 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.609 -0.466 3.720 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.725 -1.391 3.020 1.00 0.00 C ATOM 1034 C TYR A 74 -5.447 -1.631 3.818 1.00 0.00 C ATOM 1035 O TYR A 74 -4.991 -0.761 4.559 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.379 -0.847 1.633 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.479 -1.043 0.614 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.672 -0.337 0.708 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.325 -1.934 -0.441 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.680 -0.513 -0.220 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.327 -2.114 -1.374 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.503 -1.402 -1.260 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.504 -1.581 -2.187 1.00 0.00 O ATOM 0 H TYR A 74 -7.128 0.288 4.211 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.247 -2.341 2.910 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.156 0.217 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.473 -1.336 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.814 0.361 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.407 -2.495 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.602 0.043 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.191 -2.809 -2.189 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.219 -2.240 -2.853 1.00 0.00 H new ATOM 1053 N ALA A 75 -4.873 -2.820 3.660 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.647 -3.176 4.362 1.00 0.00 C ATOM 1055 C ALA A 75 -2.447 -3.143 3.422 1.00 0.00 C ATOM 1056 O ALA A 75 -2.367 -3.924 2.473 1.00 0.00 O ATOM 1057 CB ALA A 75 -3.783 -4.551 4.999 1.00 0.00 C ATOM 0 H ALA A 75 -5.238 -3.553 3.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.481 -2.439 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.859 -4.804 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.610 -4.543 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.977 -5.293 4.225 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.515 -2.234 3.691 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.319 -2.099 2.868 1.00 0.00 C ATOM 1065 C PHE A 76 0.880 -2.765 3.536 1.00 0.00 C ATOM 1066 O PHE A 76 0.976 -2.807 4.763 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.017 -0.621 2.608 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.158 0.121 1.974 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.285 0.176 0.595 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -2.103 0.765 2.756 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.334 0.858 0.008 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -3.155 1.448 2.174 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.270 1.496 0.799 1.00 0.00 C ATOM 0 H PHE A 76 -1.565 -1.580 4.472 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.505 -2.598 1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.240 -0.139 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.858 -0.545 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.556 -0.320 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.017 0.733 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.422 0.892 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.887 1.944 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.090 2.031 0.343 1.00 0.00 H new ATOM 1083 N ARG A 77 1.792 -3.284 2.721 1.00 0.00 N ATOM 1084 CA ARG A 77 2.984 -3.950 3.232 1.00 0.00 C ATOM 1085 C ARG A 77 4.048 -4.070 2.145 1.00 0.00 C ATOM 1086 O ARG A 77 3.797 -4.624 1.075 1.00 0.00 O ATOM 1087 CB ARG A 77 2.628 -5.338 3.769 1.00 0.00 C ATOM 1088 CG ARG A 77 2.203 -6.318 2.688 1.00 0.00 C ATOM 1089 CD ARG A 77 1.657 -7.605 3.287 1.00 0.00 C ATOM 1090 NE ARG A 77 1.076 -8.478 2.270 1.00 0.00 N ATOM 1091 CZ ARG A 77 -0.170 -8.363 1.827 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.963 -7.415 2.308 1.00 0.00 N ATOM 1093 NH2 ARG A 77 -0.626 -9.195 0.900 1.00 0.00 N ATOM 0 H ARG A 77 1.728 -3.256 1.703 1.00 0.00 H new ATOM 0 HA ARG A 77 3.387 -3.346 4.045 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.489 -5.745 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.823 -5.241 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.443 -5.858 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.054 -6.546 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.459 -8.133 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.900 -7.365 4.034 1.00 0.00 H new ATOM 0 HE ARG A 77 1.660 -9.217 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.616 -6.772 3.020 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.920 -7.329 1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.019 -9.925 0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.584 -9.105 0.561 1.00 0.00 H new ATOM 1107 N VAL A 78 5.237 -3.548 2.428 1.00 0.00 N ATOM 1108 CA VAL A 78 6.340 -3.597 1.475 1.00 0.00 C ATOM 1109 C VAL A 78 7.336 -4.690 1.844 1.00 0.00 C ATOM 1110 O VAL A 78 7.581 -4.951 3.023 1.00 0.00 O ATOM 1111 CB VAL A 78 7.079 -2.248 1.402 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.178 -2.297 0.352 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.101 -1.120 1.108 1.00 0.00 C ATOM 0 H VAL A 78 5.461 -3.086 3.309 1.00 0.00 H new ATOM 0 HA VAL A 78 5.906 -3.818 0.500 1.00 0.00 H new ATOM 0 HB VAL A 78 7.542 -2.055 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.689 -1.335 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.893 -3.078 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.741 -2.513 -0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.640 -0.174 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.608 -1.305 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.353 -1.071 1.899 1.00 0.00 H new ATOM 1123 N LEU A 79 7.910 -5.327 0.829 1.00 0.00 N ATOM 1124 CA LEU A 79 8.882 -6.393 1.046 1.00 0.00 C ATOM 1125 C LEU A 79 10.032 -6.292 0.050 1.00 0.00 C ATOM 1126 O LEU A 79 9.816 -6.101 -1.146 1.00 0.00 O ATOM 1127 CB LEU A 79 8.205 -7.760 0.923 1.00 0.00 C ATOM 1128 CG LEU A 79 7.187 -7.905 -0.208 1.00 0.00 C ATOM 1129 CD1 LEU A 79 7.873 -8.350 -1.490 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.093 -8.888 0.182 1.00 0.00 C ATOM 0 H LEU A 79 7.719 -5.124 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 79 9.286 -6.283 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.979 -8.516 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.705 -7.982 1.866 1.00 0.00 H new ATOM 0 HG LEU A 79 6.728 -6.932 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.132 -8.448 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.619 -7.610 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.360 -9.312 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.377 -8.979 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.536 -9.863 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.581 -8.528 1.074 1.00 0.00 H new ATOM 1142 N ALA A 80 11.256 -6.423 0.552 1.00 0.00 N ATOM 1143 CA ALA A 80 12.441 -6.350 -0.294 1.00 0.00 C ATOM 1144 C ALA A 80 12.588 -7.609 -1.141 1.00 0.00 C ATOM 1145 O ALA A 80 12.150 -8.690 -0.747 1.00 0.00 O ATOM 1146 CB ALA A 80 13.684 -6.135 0.557 1.00 0.00 C ATOM 0 H ALA A 80 11.453 -6.580 1.540 1.00 0.00 H new ATOM 0 HA ALA A 80 12.325 -5.502 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.562 -6.082 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.587 -5.203 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.795 -6.965 1.255 1.00 0.00 H new ATOM 1152 N VAL A 81 13.208 -7.463 -2.308 1.00 0.00 N ATOM 1153 CA VAL A 81 13.414 -8.588 -3.211 1.00 0.00 C ATOM 1154 C VAL A 81 14.690 -8.413 -4.027 1.00 0.00 C ATOM 1155 O VAL A 81 14.876 -7.397 -4.695 1.00 0.00 O ATOM 1156 CB VAL A 81 12.223 -8.761 -4.173 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.273 -10.125 -4.846 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.908 -8.572 -3.432 1.00 0.00 C ATOM 0 H VAL A 81 13.576 -6.575 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 81 13.503 -9.479 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 81 12.291 -7.997 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.424 -10.229 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.200 -10.218 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.231 -10.907 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.078 -8.698 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.830 -9.312 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.873 -7.571 -3.002 1.00 0.00 H new ATOM 1168 N ASN A 82 15.566 -9.410 -3.966 1.00 0.00 N ATOM 1169 CA ASN A 82 16.826 -9.366 -4.699 1.00 0.00 C ATOM 1170 C ASN A 82 17.052 -10.662 -5.471 1.00 0.00 C ATOM 1171 O ASN A 82 16.212 -11.562 -5.453 1.00 0.00 O ATOM 1172 CB ASN A 82 17.992 -9.123 -3.738 1.00 0.00 C ATOM 1173 CG ASN A 82 18.501 -10.406 -3.110 1.00 0.00 C ATOM 1174 OD1 ASN A 82 19.423 -11.038 -3.626 1.00 0.00 O ATOM 1175 ND2 ASN A 82 17.902 -10.796 -1.991 1.00 0.00 N ATOM 0 H ASN A 82 15.427 -10.258 -3.417 1.00 0.00 H new ATOM 0 HA ASN A 82 16.773 -8.543 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.806 -8.637 -4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.675 -8.438 -2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.202 -11.651 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.142 -10.240 -1.599 1.00 0.00 H new ATOM 1182 N SER A 83 18.192 -10.750 -6.149 1.00 0.00 N ATOM 1183 CA SER A 83 18.528 -11.935 -6.930 1.00 0.00 C ATOM 1184 C SER A 83 18.054 -13.203 -6.225 1.00 0.00 C ATOM 1185 O SER A 83 17.500 -14.105 -6.854 1.00 0.00 O ATOM 1186 CB SER A 83 20.037 -12.004 -7.168 1.00 0.00 C ATOM 1187 OG SER A 83 20.416 -11.205 -8.275 1.00 0.00 O ATOM 0 H SER A 83 18.899 -10.015 -6.173 1.00 0.00 H new ATOM 0 HA SER A 83 18.019 -11.863 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.565 -11.668 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.334 -13.038 -7.343 1.00 0.00 H new ATOM 0 HG SER A 83 21.385 -11.265 -8.405 1.00 0.00 H new ATOM 1193 N ILE A 84 18.276 -13.263 -4.917 1.00 0.00 N ATOM 1194 CA ILE A 84 17.871 -14.418 -4.126 1.00 0.00 C ATOM 1195 C ILE A 84 16.362 -14.630 -4.194 1.00 0.00 C ATOM 1196 O ILE A 84 15.891 -15.693 -4.595 1.00 0.00 O ATOM 1197 CB ILE A 84 18.291 -14.267 -2.652 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.787 -13.959 -2.555 1.00 0.00 C ATOM 1199 CG2 ILE A 84 17.953 -15.529 -1.873 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.670 -15.157 -2.826 1.00 0.00 C ATOM 0 H ILE A 84 18.734 -12.525 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 84 18.377 -15.284 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 84 17.738 -13.435 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 84 20.034 -13.169 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.007 -13.574 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.256 -15.407 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.879 -15.709 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.482 -16.377 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.717 -14.865 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.452 -15.941 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.479 -15.530 -3.832 1.00 0.00 H new ATOM 1212 N GLY A 85 15.609 -13.608 -3.800 1.00 0.00 N ATOM 1213 CA GLY A 85 14.161 -13.700 -3.825 1.00 0.00 C ATOM 1214 C GLY A 85 13.495 -12.608 -3.012 1.00 0.00 C ATOM 1215 O GLY A 85 14.124 -11.603 -2.678 1.00 0.00 O ATOM 0 H GLY A 85 15.976 -12.718 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.814 -13.643 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.855 -14.673 -3.440 1.00 0.00 H new ATOM 1219 N ARG A 86 12.220 -12.803 -2.694 1.00 0.00 N ATOM 1220 CA ARG A 86 11.468 -11.824 -1.917 1.00 0.00 C ATOM 1221 C ARG A 86 11.354 -12.259 -0.459 1.00 0.00 C ATOM 1222 O ARG A 86 10.799 -13.314 -0.157 1.00 0.00 O ATOM 1223 CB ARG A 86 10.073 -11.632 -2.514 1.00 0.00 C ATOM 1224 CG ARG A 86 9.365 -12.936 -2.841 1.00 0.00 C ATOM 1225 CD ARG A 86 7.853 -12.767 -2.834 1.00 0.00 C ATOM 1226 NE ARG A 86 7.165 -14.009 -2.491 1.00 0.00 N ATOM 1227 CZ ARG A 86 6.928 -14.983 -3.363 1.00 0.00 C ATOM 1228 NH1 ARG A 86 7.323 -14.860 -4.623 1.00 0.00 N ATOM 1229 NH2 ARG A 86 6.296 -16.083 -2.975 1.00 0.00 N ATOM 0 H ARG A 86 11.686 -13.629 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 86 12.006 -10.876 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.462 -11.063 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.155 -11.035 -3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.688 -13.291 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.650 -13.698 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.578 -11.991 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.522 -12.428 -3.816 1.00 0.00 H new ATOM 0 HE ARG A 86 6.849 -14.135 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.810 -14.016 -4.925 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.140 -15.609 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.992 -16.182 -2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.114 -16.830 -3.645 1.00 0.00 H new ATOM 1243 N GLY A 87 11.885 -11.437 0.442 1.00 0.00 N ATOM 1244 CA GLY A 87 11.833 -11.754 1.857 1.00 0.00 C ATOM 1245 C GLY A 87 10.440 -11.599 2.435 1.00 0.00 C ATOM 1246 O GLY A 87 9.465 -11.388 1.713 1.00 0.00 O ATOM 0 H GLY A 87 12.350 -10.558 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.175 -12.778 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.522 -11.104 2.397 1.00 0.00 H new ATOM 1250 N PRO A 88 10.334 -11.706 3.768 1.00 0.00 N ATOM 1251 CA PRO A 88 9.054 -11.581 4.472 1.00 0.00 C ATOM 1252 C PRO A 88 8.515 -10.155 4.445 1.00 0.00 C ATOM 1253 O PRO A 88 9.266 -9.183 4.357 1.00 0.00 O ATOM 1254 CB PRO A 88 9.395 -11.997 5.905 1.00 0.00 C ATOM 1255 CG PRO A 88 10.851 -11.712 6.045 1.00 0.00 C ATOM 1256 CD PRO A 88 11.454 -11.958 4.690 1.00 0.00 C ATOM 0 HA PRO A 88 8.275 -12.188 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.809 -11.433 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.180 -13.052 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.018 -10.684 6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.304 -12.358 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.293 -11.289 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.830 -12.977 4.596 1.00 0.00 H new ATOM 1264 N PRO A 89 7.182 -10.024 4.523 1.00 0.00 N ATOM 1265 CA PRO A 89 6.513 -8.720 4.510 1.00 0.00 C ATOM 1266 C PRO A 89 6.764 -7.927 5.788 1.00 0.00 C ATOM 1267 O PRO A 89 6.995 -8.503 6.852 1.00 0.00 O ATOM 1268 CB PRO A 89 5.031 -9.083 4.388 1.00 0.00 C ATOM 1269 CG PRO A 89 4.928 -10.454 4.960 1.00 0.00 C ATOM 1270 CD PRO A 89 6.226 -11.139 4.629 1.00 0.00 C ATOM 0 HA PRO A 89 6.878 -8.083 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.405 -8.378 4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.703 -9.062 3.349 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.770 -10.416 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.082 -10.993 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.517 -11.846 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.158 -11.700 3.697 1.00 0.00 H new ATOM 1278 N SER A 90 6.716 -6.604 5.678 1.00 0.00 N ATOM 1279 CA SER A 90 6.942 -5.732 6.825 1.00 0.00 C ATOM 1280 C SER A 90 5.661 -5.561 7.637 1.00 0.00 C ATOM 1281 O SER A 90 4.582 -5.966 7.206 1.00 0.00 O ATOM 1282 CB SER A 90 7.451 -4.366 6.361 1.00 0.00 C ATOM 1283 OG SER A 90 7.473 -3.439 7.433 1.00 0.00 O ATOM 0 H SER A 90 6.523 -6.112 4.806 1.00 0.00 H new ATOM 0 HA SER A 90 7.696 -6.196 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.453 -4.470 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.812 -3.988 5.563 1.00 0.00 H new ATOM 0 HG SER A 90 8.399 -3.284 7.713 1.00 0.00 H new ATOM 1289 N GLU A 91 5.791 -4.957 8.814 1.00 0.00 N ATOM 1290 CA GLU A 91 4.645 -4.733 9.688 1.00 0.00 C ATOM 1291 C GLU A 91 3.445 -4.229 8.891 1.00 0.00 C ATOM 1292 O GLU A 91 3.343 -3.041 8.589 1.00 0.00 O ATOM 1293 CB GLU A 91 5.001 -3.729 10.786 1.00 0.00 C ATOM 1294 CG GLU A 91 5.674 -4.361 11.993 1.00 0.00 C ATOM 1295 CD GLU A 91 6.083 -3.338 13.035 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.277 -2.428 13.323 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.210 -3.447 13.562 1.00 0.00 O ATOM 0 H GLU A 91 6.678 -4.614 9.184 1.00 0.00 H new ATOM 0 HA GLU A 91 4.380 -5.684 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.660 -2.967 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.093 -3.222 11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.995 -5.084 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.555 -4.913 11.666 1.00 0.00 H new ATOM 1304 N ALA A 92 2.539 -5.142 8.555 1.00 0.00 N ATOM 1305 CA ALA A 92 1.346 -4.790 7.796 1.00 0.00 C ATOM 1306 C ALA A 92 0.635 -3.591 8.415 1.00 0.00 C ATOM 1307 O ALA A 92 0.268 -3.612 9.590 1.00 0.00 O ATOM 1308 CB ALA A 92 0.402 -5.981 7.715 1.00 0.00 C ATOM 0 H ALA A 92 2.609 -6.130 8.797 1.00 0.00 H new ATOM 0 HA ALA A 92 1.655 -4.515 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.485 -5.704 7.145 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.906 -6.812 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.108 -6.281 8.721 1.00 0.00 H new ATOM 1314 N VAL A 93 0.445 -2.545 7.616 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.222 -1.337 8.085 1.00 0.00 C ATOM 1316 C VAL A 93 -1.589 -1.174 7.430 1.00 0.00 C ATOM 1317 O VAL A 93 -1.810 -1.633 6.309 1.00 0.00 O ATOM 1318 CB VAL A 93 0.624 -0.082 7.801 1.00 0.00 C ATOM 1319 CG1 VAL A 93 1.988 -0.196 8.463 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.767 0.135 6.302 1.00 0.00 C ATOM 0 H VAL A 93 0.744 -2.511 6.641 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.349 -1.444 9.162 1.00 0.00 H new ATOM 0 HB VAL A 93 0.113 0.783 8.224 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.571 0.700 8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.862 -0.300 9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.510 -1.070 8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.368 1.026 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.256 -0.730 5.854 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.220 0.265 5.857 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.504 -0.517 8.137 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.850 -0.294 7.624 1.00 0.00 C ATOM 1332 C ARG A 94 -4.154 1.198 7.525 1.00 0.00 C ATOM 1333 O ARG A 94 -4.151 1.910 8.529 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.881 -0.977 8.524 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.065 -2.456 8.226 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.400 -2.967 8.746 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.363 -3.232 10.181 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.760 -4.287 10.719 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -5.146 -5.170 9.943 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.770 -4.460 12.034 1.00 0.00 N ATOM 0 H ARG A 94 -2.337 -0.130 9.066 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.907 -0.726 6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.577 -0.860 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.840 -0.471 8.413 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.005 -2.622 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.254 -3.024 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.177 -2.233 8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.670 -3.880 8.216 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.825 -2.571 10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.136 -5.040 8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.684 -5.979 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.241 -3.783 12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.307 -5.270 12.445 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.415 1.664 6.308 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.722 3.070 6.079 1.00 0.00 C ATOM 1356 C ALA A 95 -6.062 3.231 5.369 1.00 0.00 C ATOM 1357 O ALA A 95 -6.302 2.616 4.329 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.613 3.728 5.271 1.00 0.00 C ATOM 0 H ALA A 95 -4.420 1.088 5.466 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.792 3.563 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.856 4.778 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.672 3.654 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.515 3.224 4.309 1.00 0.00 H new ATOM 1364 N ARG A 96 -6.932 4.059 5.937 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.249 4.298 5.359 1.00 0.00 C ATOM 1366 C ARG A 96 -8.207 5.464 4.375 1.00 0.00 C ATOM 1367 O ARG A 96 -7.943 6.605 4.757 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.269 4.585 6.462 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.683 4.151 6.111 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.578 4.121 7.341 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.297 2.970 8.194 1.00 0.00 N ATOM 1372 CZ ARG A 96 -11.679 2.886 9.464 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -12.355 3.880 10.023 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -11.385 1.806 10.176 1.00 0.00 N ATOM 0 H ARG A 96 -6.749 4.576 6.797 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.550 3.400 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -8.958 4.076 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.269 5.654 6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.101 4.834 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.658 3.162 5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.439 5.038 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.622 4.095 7.029 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.779 2.188 7.793 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.583 4.712 9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.647 3.813 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.865 1.039 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.679 1.742 11.151 1.00 0.00 H new ATOM 1388 N THR A 97 -8.469 5.170 3.105 1.00 0.00 N ATOM 1389 CA THR A 97 -8.460 6.191 2.066 1.00 0.00 C ATOM 1390 C THR A 97 -9.504 7.267 2.344 1.00 0.00 C ATOM 1391 O THR A 97 -10.552 6.993 2.928 1.00 0.00 O ATOM 1392 CB THR A 97 -8.724 5.582 0.676 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.048 5.038 0.624 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.710 4.493 0.361 1.00 0.00 C ATOM 0 H THR A 97 -8.690 4.232 2.772 1.00 0.00 H new ATOM 0 HA THR A 97 -7.467 6.641 2.074 1.00 0.00 H new ATOM 0 HB THR A 97 -8.627 6.373 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.161 4.531 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.917 4.078 -0.625 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.706 4.916 0.373 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.780 3.703 1.109 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.211 8.493 1.920 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.136 9.592 2.132 1.00 0.00 C ATOM 1404 C GLY A 98 -11.467 9.371 1.441 1.00 0.00 C ATOM 1405 O GLY A 98 -11.579 8.526 0.553 1.00 0.00 O ATOM 0 H GLY A 98 -8.350 8.745 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.302 9.722 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.688 10.516 1.765 1.00 0.00 H new ATOM 1409 N GLU A 99 -12.478 10.130 1.852 1.00 0.00 N ATOM 1410 CA GLU A 99 -13.809 10.010 1.267 1.00 0.00 C ATOM 1411 C GLU A 99 -14.107 11.190 0.347 1.00 0.00 C ATOM 1412 O GLU A 99 -15.262 11.577 0.172 1.00 0.00 O ATOM 1413 CB GLU A 99 -14.868 9.927 2.369 1.00 0.00 C ATOM 1414 CG GLU A 99 -14.915 11.156 3.261 1.00 0.00 C ATOM 1415 CD GLU A 99 -15.849 12.226 2.730 1.00 0.00 C ATOM 1416 OE1 GLU A 99 -17.075 11.988 2.709 1.00 0.00 O ATOM 1417 OE2 GLU A 99 -15.354 13.303 2.336 1.00 0.00 O ATOM 0 H GLU A 99 -12.401 10.834 2.587 1.00 0.00 H new ATOM 0 HA GLU A 99 -13.838 9.095 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -15.847 9.783 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.672 9.049 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.235 10.863 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.911 11.570 3.356 1.00 0.00 H new ATOM 1424 N GLN A 100 -13.057 11.758 -0.237 1.00 0.00 N ATOM 1425 CA GLN A 100 -13.206 12.894 -1.138 1.00 0.00 C ATOM 1426 C GLN A 100 -14.273 12.617 -2.192 1.00 0.00 C ATOM 1427 O GLN A 100 -14.238 11.590 -2.870 1.00 0.00 O ATOM 1428 CB GLN A 100 -11.873 13.213 -1.817 1.00 0.00 C ATOM 1429 CG GLN A 100 -11.926 14.435 -2.719 1.00 0.00 C ATOM 1430 CD GLN A 100 -12.513 15.648 -2.025 1.00 0.00 C ATOM 1431 OE1 GLN A 100 -13.582 16.134 -2.396 1.00 0.00 O ATOM 1432 NE2 GLN A 100 -11.816 16.145 -1.010 1.00 0.00 N ATOM 0 H GLN A 100 -12.094 11.450 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.519 13.755 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.113 13.370 -1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.559 12.351 -2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.919 14.671 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.520 14.204 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.935 15.711 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.162 16.961 -0.505 1.00 0.00 H new ATOM 1441 N SER A 101 -15.221 13.539 -2.325 1.00 0.00 N ATOM 1442 CA SER A 101 -16.301 13.392 -3.293 1.00 0.00 C ATOM 1443 C SER A 101 -16.948 12.015 -3.181 1.00 0.00 C ATOM 1444 O SER A 101 -17.128 11.318 -4.178 1.00 0.00 O ATOM 1445 CB SER A 101 -15.773 13.606 -4.714 1.00 0.00 C ATOM 1446 OG SER A 101 -15.234 14.907 -4.867 1.00 0.00 O ATOM 0 H SER A 101 -15.263 14.396 -1.774 1.00 0.00 H new ATOM 0 HA SER A 101 -17.056 14.147 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.007 12.863 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.580 13.457 -5.431 1.00 0.00 H new ATOM 0 HG SER A 101 -14.800 15.182 -4.032 1.00 0.00 H new ATOM 1452 N GLY A 102 -17.295 11.630 -1.956 1.00 0.00 N ATOM 1453 CA GLY A 102 -17.918 10.338 -1.734 1.00 0.00 C ATOM 1454 C GLY A 102 -19.017 10.044 -2.736 1.00 0.00 C ATOM 1455 O GLY A 102 -19.715 10.943 -3.206 1.00 0.00 O ATOM 0 H GLY A 102 -17.156 12.189 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -17.159 9.558 -1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -18.332 10.306 -0.726 1.00 0.00 H new ATOM 1459 N PRO A 103 -19.181 8.758 -3.080 1.00 0.00 N ATOM 1460 CA PRO A 103 -20.201 8.318 -4.037 1.00 0.00 C ATOM 1461 C PRO A 103 -21.614 8.452 -3.481 1.00 0.00 C ATOM 1462 O PRO A 103 -22.114 7.550 -2.808 1.00 0.00 O ATOM 1463 CB PRO A 103 -19.855 6.845 -4.272 1.00 0.00 C ATOM 1464 CG PRO A 103 -19.139 6.423 -3.036 1.00 0.00 C ATOM 1465 CD PRO A 103 -18.385 7.634 -2.560 1.00 0.00 C ATOM 0 HA PRO A 103 -20.195 8.921 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -20.753 6.248 -4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.228 6.722 -5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.841 6.077 -2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.459 5.596 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.314 7.661 -1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.366 7.650 -2.947 1.00 0.00 H new ATOM 1473 N SER A 104 -22.253 9.582 -3.767 1.00 0.00 N ATOM 1474 CA SER A 104 -23.608 9.834 -3.292 1.00 0.00 C ATOM 1475 C SER A 104 -23.769 9.383 -1.843 1.00 0.00 C ATOM 1476 O SER A 104 -24.753 8.733 -1.490 1.00 0.00 O ATOM 1477 CB SER A 104 -24.625 9.112 -4.178 1.00 0.00 C ATOM 1478 OG SER A 104 -24.701 9.713 -5.460 1.00 0.00 O ATOM 0 H SER A 104 -21.854 10.337 -4.325 1.00 0.00 H new ATOM 0 HA SER A 104 -23.790 10.908 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 104 -24.344 8.064 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 104 -25.606 9.134 -3.704 1.00 0.00 H new ATOM 0 HG SER A 104 -25.356 9.233 -6.008 1.00 0.00 H new ATOM 1484 N SER A 105 -22.795 9.734 -1.009 1.00 0.00 N ATOM 1485 CA SER A 105 -22.826 9.362 0.401 1.00 0.00 C ATOM 1486 C SER A 105 -22.745 10.600 1.290 1.00 0.00 C ATOM 1487 O SER A 105 -21.673 10.964 1.770 1.00 0.00 O ATOM 1488 CB SER A 105 -21.672 8.411 0.724 1.00 0.00 C ATOM 1489 OG SER A 105 -20.436 8.935 0.269 1.00 0.00 O ATOM 0 H SER A 105 -21.975 10.275 -1.285 1.00 0.00 H new ATOM 0 HA SER A 105 -23.771 8.855 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 105 -21.625 8.243 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 105 -21.854 7.443 0.258 1.00 0.00 H new ATOM 0 HG SER A 105 -20.319 9.844 0.615 1.00 0.00 H new ATOM 1495 N GLY A 106 -23.889 11.242 1.505 1.00 0.00 N ATOM 1496 CA GLY A 106 -23.927 12.431 2.336 1.00 0.00 C ATOM 1497 C GLY A 106 -23.344 13.644 1.639 1.00 0.00 C ATOM 1498 O GLY A 106 -22.134 13.868 1.677 1.00 0.00 O ATOM 0 H GLY A 106 -24.790 10.960 1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -24.959 12.640 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -23.375 12.245 3.257 1.00 0.00 H new TER 1502 GLY A 106