USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.399 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 22:sc= 0.0549 USER MOD Single : A 6 SER OG : rot 44:sc= 0.93 USER MOD Single : A 13 GLN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 17 ASN : amide:sc= 0.556 K(o=0.56,f=-5!) USER MOD Single : A 18 GLN : amide:sc= 0.51 K(o=0.51,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -34:sc= 0.152! USER MOD Single : A 29 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 1.24 (180deg=1.15) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.19 F(o=-0.72,f=-0.19) USER MOD Single : A 65 GLN : amide:sc=-0.00692 X(o=-0.0069,f=-0.08) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -1.16 (180deg=-2.5) USER MOD Single : A 74 THR OG1 : rot 86:sc= 0.0874 USER MOD Single : A 77 TYR OH : rot 45:sc= 0.715 USER MOD Single : A 78 THR OG1 : rot 11:sc= 0.0152 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 30:sc= 0.903 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -128:sc= 0.358 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 109 THR OG1 : rot 5:sc= 0.999 USER MOD Single : A 112 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.58) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.858 44.910 4.082 1.00 0.00 N ATOM 2 CA GLY A 1 6.351 44.195 5.239 1.00 0.00 C ATOM 3 C GLY A 1 4.838 44.237 5.329 1.00 0.00 C ATOM 4 O GLY A 1 4.271 45.153 5.925 1.00 0.00 O ATOM 0 H1 GLY A 1 7.896 44.852 4.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.474 44.484 3.215 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.568 45.907 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.681 43.157 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.778 44.626 6.145 1.00 0.00 H new ATOM 8 N SER A 2 4.183 43.245 4.734 1.00 0.00 N ATOM 9 CA SER A 2 2.726 43.176 4.745 1.00 0.00 C ATOM 10 C SER A 2 2.247 41.769 4.405 1.00 0.00 C ATOM 11 O SER A 2 2.522 41.252 3.322 1.00 0.00 O ATOM 12 CB SER A 2 2.139 44.181 3.752 1.00 0.00 C ATOM 13 OG SER A 2 2.573 43.905 2.431 1.00 0.00 O ATOM 0 H SER A 2 4.638 42.478 4.238 1.00 0.00 H new ATOM 0 HA SER A 2 2.382 43.426 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.050 44.146 3.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.437 45.191 4.033 1.00 0.00 H new ATOM 0 HG SER A 2 2.538 42.939 2.270 1.00 0.00 H new ATOM 19 N SER A 3 1.528 41.154 5.338 1.00 0.00 N ATOM 20 CA SER A 3 1.012 39.804 5.141 1.00 0.00 C ATOM 21 C SER A 3 -0.404 39.677 5.694 1.00 0.00 C ATOM 22 O SER A 3 -0.649 39.938 6.871 1.00 0.00 O ATOM 23 CB SER A 3 1.929 38.781 5.815 1.00 0.00 C ATOM 24 OG SER A 3 3.229 38.814 5.253 1.00 0.00 O ATOM 0 H SER A 3 1.289 41.569 6.239 1.00 0.00 H new ATOM 0 HA SER A 3 0.984 39.606 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.986 38.987 6.884 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.507 37.782 5.705 1.00 0.00 H new ATOM 0 HG SER A 3 3.796 38.153 5.702 1.00 0.00 H new ATOM 30 N GLY A 4 -1.335 39.273 4.834 1.00 0.00 N ATOM 31 CA GLY A 4 -2.715 39.118 5.253 1.00 0.00 C ATOM 32 C GLY A 4 -3.696 39.665 4.235 1.00 0.00 C ATOM 33 O GLY A 4 -3.985 40.861 4.221 1.00 0.00 O ATOM 0 H GLY A 4 -1.157 39.050 3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.923 38.062 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.862 39.628 6.205 1.00 0.00 H new ATOM 37 N SER A 5 -4.207 38.787 3.378 1.00 0.00 N ATOM 38 CA SER A 5 -5.157 39.189 2.347 1.00 0.00 C ATOM 39 C SER A 5 -6.574 38.765 2.718 1.00 0.00 C ATOM 40 O SER A 5 -6.805 37.629 3.135 1.00 0.00 O ATOM 41 CB SER A 5 -4.766 38.580 0.999 1.00 0.00 C ATOM 42 OG SER A 5 -4.717 37.165 1.073 1.00 0.00 O ATOM 0 H SER A 5 -3.979 37.793 3.377 1.00 0.00 H new ATOM 0 HA SER A 5 -5.132 40.276 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.485 38.883 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.794 38.965 0.691 1.00 0.00 H new ATOM 0 HG SER A 5 -5.258 36.858 1.830 1.00 0.00 H new ATOM 48 N SER A 6 -7.520 39.685 2.565 1.00 0.00 N ATOM 49 CA SER A 6 -8.915 39.409 2.887 1.00 0.00 C ATOM 50 C SER A 6 -9.506 38.391 1.917 1.00 0.00 C ATOM 51 O SER A 6 -9.778 38.706 0.759 1.00 0.00 O ATOM 52 CB SER A 6 -9.735 40.701 2.851 1.00 0.00 C ATOM 53 OG SER A 6 -9.738 41.266 1.552 1.00 0.00 O ATOM 0 H SER A 6 -7.346 40.629 2.220 1.00 0.00 H new ATOM 0 HA SER A 6 -8.953 38.991 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.759 40.495 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.323 41.417 3.562 1.00 0.00 H new ATOM 0 HG SER A 6 -9.879 40.559 0.888 1.00 0.00 H new ATOM 59 N GLY A 7 -9.702 37.168 2.398 1.00 0.00 N ATOM 60 CA GLY A 7 -10.259 36.121 1.561 1.00 0.00 C ATOM 61 C GLY A 7 -10.222 34.762 2.231 1.00 0.00 C ATOM 62 O GLY A 7 -9.324 34.457 3.016 1.00 0.00 O ATOM 0 H GLY A 7 -9.485 36.883 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.290 36.371 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.704 36.076 0.624 1.00 0.00 H new ATOM 66 N PRO A 8 -11.218 33.918 1.922 1.00 0.00 N ATOM 67 CA PRO A 8 -11.319 32.571 2.490 1.00 0.00 C ATOM 68 C PRO A 8 -10.234 31.637 1.964 1.00 0.00 C ATOM 69 O PRO A 8 -9.530 31.945 1.002 1.00 0.00 O ATOM 70 CB PRO A 8 -12.700 32.096 2.033 1.00 0.00 C ATOM 71 CG PRO A 8 -12.980 32.877 0.796 1.00 0.00 C ATOM 72 CD PRO A 8 -12.322 34.215 0.994 1.00 0.00 C ATOM 0 HA PRO A 8 -11.191 32.575 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.704 31.024 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.455 32.281 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.581 32.372 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.053 32.989 0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.956 34.626 0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.014 34.945 1.413 1.00 0.00 H new ATOM 80 N PRO A 9 -10.094 30.469 2.608 1.00 0.00 N ATOM 81 CA PRO A 9 -9.097 29.466 2.221 1.00 0.00 C ATOM 82 C PRO A 9 -9.427 28.804 0.888 1.00 0.00 C ATOM 83 O PRO A 9 -10.581 28.470 0.619 1.00 0.00 O ATOM 84 CB PRO A 9 -9.163 28.443 3.358 1.00 0.00 C ATOM 85 CG PRO A 9 -10.537 28.585 3.915 1.00 0.00 C ATOM 86 CD PRO A 9 -10.898 30.037 3.763 1.00 0.00 C ATOM 0 HA PRO A 9 -8.109 29.906 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.987 27.432 2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.406 28.644 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.243 27.949 3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.567 28.283 4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.965 30.169 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.654 30.608 4.659 1.00 0.00 H new ATOM 94 N VAL A 10 -8.408 28.617 0.056 1.00 0.00 N ATOM 95 CA VAL A 10 -8.590 27.993 -1.249 1.00 0.00 C ATOM 96 C VAL A 10 -7.616 26.837 -1.446 1.00 0.00 C ATOM 97 O VAL A 10 -6.424 26.961 -1.163 1.00 0.00 O ATOM 98 CB VAL A 10 -8.400 29.010 -2.389 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.053 29.706 -2.265 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.534 28.326 -3.741 1.00 0.00 C ATOM 0 H VAL A 10 -7.447 28.889 0.263 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.611 27.613 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.181 29.766 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.937 30.421 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.001 30.231 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.255 28.965 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.397 29.060 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.777 27.547 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.525 27.880 -3.826 1.00 0.00 H new ATOM 110 N ILE A 11 -8.131 25.713 -1.933 1.00 0.00 N ATOM 111 CA ILE A 11 -7.305 24.535 -2.170 1.00 0.00 C ATOM 112 C ILE A 11 -6.748 24.530 -3.589 1.00 0.00 C ATOM 113 O ILE A 11 -7.449 24.184 -4.540 1.00 0.00 O ATOM 114 CB ILE A 11 -8.099 23.235 -1.937 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.404 23.058 -0.448 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.325 22.039 -2.471 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.668 22.271 -0.180 1.00 0.00 C ATOM 0 H ILE A 11 -9.116 25.593 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.480 24.580 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.044 23.302 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.564 22.554 0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.492 24.040 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.899 21.128 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.154 22.164 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.367 21.967 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.822 22.185 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.518 22.785 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.576 21.276 -0.614 1.00 0.00 H new ATOM 129 N ARG A 12 -5.484 24.915 -3.724 1.00 0.00 N ATOM 130 CA ARG A 12 -4.832 24.955 -5.027 1.00 0.00 C ATOM 131 C ARG A 12 -4.681 23.549 -5.603 1.00 0.00 C ATOM 132 O ARG A 12 -5.134 23.271 -6.712 1.00 0.00 O ATOM 133 CB ARG A 12 -3.460 25.622 -4.915 1.00 0.00 C ATOM 134 CG ARG A 12 -3.506 27.011 -4.301 1.00 0.00 C ATOM 135 CD ARG A 12 -3.853 28.067 -5.338 1.00 0.00 C ATOM 136 NE ARG A 12 -4.367 29.289 -4.724 1.00 0.00 N ATOM 137 CZ ARG A 12 -4.437 30.456 -5.356 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.029 30.558 -6.613 1.00 0.00 N ATOM 139 NH2 ARG A 12 -4.916 31.523 -4.730 1.00 0.00 N ATOM 0 H ARG A 12 -4.890 25.204 -2.946 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.458 25.540 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.806 24.990 -4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.015 25.688 -5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.244 27.031 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.540 27.244 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.966 28.302 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.596 27.667 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.690 29.244 -3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.660 29.740 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.084 31.455 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.231 31.448 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.969 32.418 -5.216 1.00 0.00 H new ATOM 153 N GLN A 13 -4.041 22.669 -4.840 1.00 0.00 N ATOM 154 CA GLN A 13 -3.829 21.294 -5.275 1.00 0.00 C ATOM 155 C GLN A 13 -3.955 20.326 -4.102 1.00 0.00 C ATOM 156 O GLN A 13 -3.060 20.232 -3.264 1.00 0.00 O ATOM 157 CB GLN A 13 -2.452 21.148 -5.926 1.00 0.00 C ATOM 158 CG GLN A 13 -2.279 21.991 -7.179 1.00 0.00 C ATOM 159 CD GLN A 13 -2.695 21.257 -8.438 1.00 0.00 C ATOM 160 OE1 GLN A 13 -3.614 21.677 -9.141 1.00 0.00 O ATOM 161 NE2 GLN A 13 -2.017 20.153 -8.731 1.00 0.00 N ATOM 0 H GLN A 13 -3.661 22.884 -3.918 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.597 21.050 -6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.686 21.426 -5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.287 20.100 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.868 22.903 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.236 22.294 -7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.262 19.841 -8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.251 19.617 -9.567 1.00 0.00 H new ATOM 170 N GLY A 14 -5.074 19.609 -4.051 1.00 0.00 N ATOM 171 CA GLY A 14 -5.297 18.659 -2.977 1.00 0.00 C ATOM 172 C GLY A 14 -5.015 17.231 -3.398 1.00 0.00 C ATOM 173 O GLY A 14 -4.410 16.976 -4.440 1.00 0.00 O ATOM 0 H GLY A 14 -5.829 19.669 -4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.661 18.917 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.329 18.737 -2.636 1.00 0.00 H new ATOM 177 N PRO A 15 -5.458 16.268 -2.576 1.00 0.00 N ATOM 178 CA PRO A 15 -5.260 14.841 -2.848 1.00 0.00 C ATOM 179 C PRO A 15 -6.097 14.355 -4.026 1.00 0.00 C ATOM 180 O PRO A 15 -7.308 14.569 -4.071 1.00 0.00 O ATOM 181 CB PRO A 15 -5.718 14.167 -1.553 1.00 0.00 C ATOM 182 CG PRO A 15 -6.679 15.128 -0.943 1.00 0.00 C ATOM 183 CD PRO A 15 -6.186 16.499 -1.317 1.00 0.00 C ATOM 0 HA PRO A 15 -4.229 14.617 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.193 13.206 -1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.876 13.974 -0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.689 14.961 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.716 15.008 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.010 17.199 -1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.536 16.916 -0.548 1.00 0.00 H new ATOM 191 N VAL A 16 -5.443 13.699 -4.980 1.00 0.00 N ATOM 192 CA VAL A 16 -6.127 13.180 -6.158 1.00 0.00 C ATOM 193 C VAL A 16 -6.431 11.694 -6.008 1.00 0.00 C ATOM 194 O VAL A 16 -5.872 11.020 -5.143 1.00 0.00 O ATOM 195 CB VAL A 16 -5.290 13.395 -7.433 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.994 14.873 -7.635 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.001 12.590 -7.366 1.00 0.00 C ATOM 0 H VAL A 16 -4.440 13.515 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.063 13.732 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.867 13.044 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.402 15.005 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.931 15.422 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.437 15.253 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.422 12.754 -8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.418 12.908 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.238 11.530 -7.273 1.00 0.00 H new ATOM 207 N ASN A 17 -7.321 11.188 -6.856 1.00 0.00 N ATOM 208 CA ASN A 17 -7.700 9.781 -6.817 1.00 0.00 C ATOM 209 C ASN A 17 -6.607 8.906 -7.426 1.00 0.00 C ATOM 210 O ASN A 17 -6.283 9.033 -8.606 1.00 0.00 O ATOM 211 CB ASN A 17 -9.017 9.565 -7.565 1.00 0.00 C ATOM 212 CG ASN A 17 -9.038 10.263 -8.911 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.719 11.448 -9.013 1.00 0.00 O ATOM 214 ND2 ASN A 17 -9.417 9.531 -9.952 1.00 0.00 N ATOM 0 H ASN A 17 -7.793 11.732 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.831 9.495 -5.774 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.178 8.497 -7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.843 9.932 -6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.452 9.947 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.673 8.552 -9.821 1.00 0.00 H new ATOM 221 N GLN A 18 -6.044 8.020 -6.611 1.00 0.00 N ATOM 222 CA GLN A 18 -4.989 7.125 -7.069 1.00 0.00 C ATOM 223 C GLN A 18 -5.279 5.685 -6.659 1.00 0.00 C ATOM 224 O GLN A 18 -6.089 5.433 -5.766 1.00 0.00 O ATOM 225 CB GLN A 18 -3.637 7.565 -6.505 1.00 0.00 C ATOM 226 CG GLN A 18 -3.556 7.488 -4.989 1.00 0.00 C ATOM 227 CD GLN A 18 -2.289 8.112 -4.440 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.185 7.804 -4.890 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.440 8.996 -3.460 1.00 0.00 N ATOM 0 H GLN A 18 -6.301 7.903 -5.631 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.954 7.174 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.853 6.941 -6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.437 8.589 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.421 7.991 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.606 6.444 -4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.373 9.222 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.623 9.448 -3.051 1.00 0.00 H new ATOM 238 N THR A 19 -4.614 4.741 -7.318 1.00 0.00 N ATOM 239 CA THR A 19 -4.802 3.326 -7.024 1.00 0.00 C ATOM 240 C THR A 19 -3.568 2.735 -6.352 1.00 0.00 C ATOM 241 O THR A 19 -2.454 2.858 -6.861 1.00 0.00 O ATOM 242 CB THR A 19 -5.112 2.522 -8.301 1.00 0.00 C ATOM 243 OG1 THR A 19 -5.962 3.285 -9.165 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.784 1.201 -7.959 1.00 0.00 C ATOM 0 H THR A 19 -3.940 4.931 -8.059 1.00 0.00 H new ATOM 0 HA THR A 19 -5.651 3.255 -6.345 1.00 0.00 H new ATOM 0 HB THR A 19 -4.171 2.312 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.153 2.768 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.993 0.651 -8.876 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.123 0.610 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.718 1.394 -7.431 1.00 0.00 H new ATOM 252 N VAL A 20 -3.773 2.093 -5.207 1.00 0.00 N ATOM 253 CA VAL A 20 -2.676 1.481 -4.466 1.00 0.00 C ATOM 254 C VAL A 20 -2.958 0.011 -4.181 1.00 0.00 C ATOM 255 O VAL A 20 -4.113 -0.407 -4.108 1.00 0.00 O ATOM 256 CB VAL A 20 -2.422 2.212 -3.134 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.583 1.349 -2.204 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.748 3.553 -3.383 1.00 0.00 C ATOM 0 H VAL A 20 -4.689 1.983 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.787 1.562 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.382 2.398 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.413 1.881 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.108 0.416 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.625 1.131 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.576 4.056 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.795 3.393 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.390 4.172 -4.010 1.00 0.00 H new ATOM 268 N ALA A 21 -1.895 -0.770 -4.019 1.00 0.00 N ATOM 269 CA ALA A 21 -2.028 -2.194 -3.738 1.00 0.00 C ATOM 270 C ALA A 21 -2.127 -2.451 -2.239 1.00 0.00 C ATOM 271 O ALA A 21 -1.686 -1.636 -1.428 1.00 0.00 O ATOM 272 CB ALA A 21 -0.855 -2.961 -4.331 1.00 0.00 C ATOM 0 H ALA A 21 -0.932 -0.440 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.950 -2.546 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.967 -4.023 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.831 -2.812 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.075 -2.598 -3.894 1.00 0.00 H new ATOM 278 N VAL A 22 -2.710 -3.589 -1.875 1.00 0.00 N ATOM 279 CA VAL A 22 -2.867 -3.954 -0.473 1.00 0.00 C ATOM 280 C VAL A 22 -1.540 -3.856 0.272 1.00 0.00 C ATOM 281 O VAL A 22 -0.473 -4.041 -0.313 1.00 0.00 O ATOM 282 CB VAL A 22 -3.423 -5.383 -0.323 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.173 -5.909 1.082 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.906 -5.415 -0.657 1.00 0.00 C ATOM 0 H VAL A 22 -3.082 -4.274 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.577 -3.249 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.902 -6.033 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.573 -6.919 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.101 -5.925 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.666 -5.261 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.282 -6.432 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.446 -4.752 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.055 -5.084 -1.685 1.00 0.00 H new ATOM 294 N ASP A 23 -1.615 -3.565 1.566 1.00 0.00 N ATOM 295 CA ASP A 23 -0.420 -3.444 2.393 1.00 0.00 C ATOM 296 C ASP A 23 0.641 -2.599 1.694 1.00 0.00 C ATOM 297 O ASP A 23 1.837 -2.766 1.930 1.00 0.00 O ATOM 298 CB ASP A 23 0.145 -4.828 2.717 1.00 0.00 C ATOM 299 CG ASP A 23 1.043 -4.816 3.938 1.00 0.00 C ATOM 300 OD1 ASP A 23 2.118 -4.183 3.879 1.00 0.00 O ATOM 301 OD2 ASP A 23 0.669 -5.438 4.955 1.00 0.00 O ATOM 0 H ASP A 23 -2.491 -3.409 2.065 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.700 -2.948 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.678 -5.524 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.708 -5.197 1.860 1.00 0.00 H new ATOM 306 N GLY A 24 0.194 -1.692 0.831 1.00 0.00 N ATOM 307 CA GLY A 24 1.117 -0.835 0.110 1.00 0.00 C ATOM 308 C GLY A 24 1.405 0.458 0.847 1.00 0.00 C ATOM 309 O GLY A 24 1.667 0.451 2.050 1.00 0.00 O ATOM 0 H GLY A 24 -0.791 -1.535 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.052 -1.371 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.703 -0.605 -0.872 1.00 0.00 H new ATOM 313 N THR A 25 1.358 1.572 0.124 1.00 0.00 N ATOM 314 CA THR A 25 1.618 2.879 0.716 1.00 0.00 C ATOM 315 C THR A 25 1.101 4.000 -0.178 1.00 0.00 C ATOM 316 O THR A 25 1.592 4.197 -1.290 1.00 0.00 O ATOM 317 CB THR A 25 3.122 3.091 0.969 1.00 0.00 C ATOM 318 OG1 THR A 25 3.701 1.898 1.510 1.00 0.00 O ATOM 319 CG2 THR A 25 3.352 4.251 1.926 1.00 0.00 C ATOM 0 H THR A 25 1.142 1.596 -0.873 1.00 0.00 H new ATOM 0 HA THR A 25 1.090 2.906 1.669 1.00 0.00 H new ATOM 0 HB THR A 25 3.598 3.326 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.048 1.450 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.422 4.381 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.936 5.163 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.863 4.041 2.877 1.00 0.00 H new ATOM 327 N PHE A 26 0.108 4.733 0.314 1.00 0.00 N ATOM 328 CA PHE A 26 -0.475 5.836 -0.441 1.00 0.00 C ATOM 329 C PHE A 26 -0.290 7.159 0.296 1.00 0.00 C ATOM 330 O PHE A 26 -0.652 7.287 1.466 1.00 0.00 O ATOM 331 CB PHE A 26 -1.964 5.581 -0.688 1.00 0.00 C ATOM 332 CG PHE A 26 -2.781 5.533 0.571 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.693 4.448 1.428 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.636 6.573 0.898 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.444 4.400 2.587 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.389 6.531 2.057 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.292 5.444 2.903 1.00 0.00 C ATOM 0 H PHE A 26 -0.310 4.583 1.232 1.00 0.00 H new ATOM 0 HA PHE A 26 0.041 5.900 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.356 6.365 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.079 4.638 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.030 3.630 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.715 7.426 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.368 3.547 3.245 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.052 7.348 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.878 5.410 3.810 1.00 0.00 H new ATOM 347 N VAL A 27 0.278 8.141 -0.397 1.00 0.00 N ATOM 348 CA VAL A 27 0.513 9.454 0.191 1.00 0.00 C ATOM 349 C VAL A 27 -0.524 10.464 -0.289 1.00 0.00 C ATOM 350 O VAL A 27 -0.937 10.442 -1.449 1.00 0.00 O ATOM 351 CB VAL A 27 1.920 9.979 -0.151 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.193 11.288 0.575 1.00 0.00 C ATOM 353 CG2 VAL A 27 2.974 8.938 0.195 1.00 0.00 C ATOM 0 H VAL A 27 0.584 8.052 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 27 0.430 9.336 1.271 1.00 0.00 H new ATOM 0 HB VAL A 27 1.968 10.170 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.192 11.643 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.455 12.032 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.128 11.128 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.962 9.325 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.929 8.715 1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.787 8.028 -0.375 1.00 0.00 H new ATOM 363 N LEU A 28 -0.941 11.348 0.610 1.00 0.00 N ATOM 364 CA LEU A 28 -1.931 12.368 0.279 1.00 0.00 C ATOM 365 C LEU A 28 -1.488 13.739 0.780 1.00 0.00 C ATOM 366 O LEU A 28 -1.313 13.946 1.981 1.00 0.00 O ATOM 367 CB LEU A 28 -3.288 12.005 0.884 1.00 0.00 C ATOM 368 CG LEU A 28 -3.863 10.647 0.478 1.00 0.00 C ATOM 369 CD1 LEU A 28 -4.788 10.114 1.561 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.598 10.755 -0.850 1.00 0.00 C ATOM 0 H LEU A 28 -0.609 11.380 1.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.024 12.411 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.197 12.028 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.005 12.778 0.607 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.038 9.945 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.188 9.147 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.231 9.998 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.609 10.814 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.001 9.780 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.414 11.471 -0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.906 11.092 -1.622 1.00 0.00 H new ATOM 382 N SER A 29 -1.310 14.673 -0.149 1.00 0.00 N ATOM 383 CA SER A 29 -0.887 16.024 0.198 1.00 0.00 C ATOM 384 C SER A 29 -1.984 17.036 -0.119 1.00 0.00 C ATOM 385 O SER A 29 -2.529 17.054 -1.223 1.00 0.00 O ATOM 386 CB SER A 29 0.393 16.390 -0.558 1.00 0.00 C ATOM 387 OG SER A 29 1.537 15.870 0.096 1.00 0.00 O ATOM 0 H SER A 29 -1.452 14.519 -1.147 1.00 0.00 H new ATOM 0 HA SER A 29 -0.690 16.052 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.343 16.000 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.476 17.474 -0.636 1.00 0.00 H new ATOM 0 HG SER A 29 2.341 16.116 -0.407 1.00 0.00 H new ATOM 393 N CYS A 30 -2.305 17.877 0.859 1.00 0.00 N ATOM 394 CA CYS A 30 -3.337 18.892 0.688 1.00 0.00 C ATOM 395 C CYS A 30 -2.728 20.291 0.678 1.00 0.00 C ATOM 396 O CYS A 30 -2.127 20.725 1.660 1.00 0.00 O ATOM 397 CB CYS A 30 -4.377 18.784 1.804 1.00 0.00 C ATOM 398 SG CYS A 30 -5.860 19.809 1.540 1.00 0.00 S ATOM 0 H CYS A 30 -1.864 17.875 1.779 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.825 18.721 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.681 17.742 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.913 19.071 2.748 1.00 0.00 H new ATOM 403 N VAL A 31 -2.888 20.992 -0.440 1.00 0.00 N ATOM 404 CA VAL A 31 -2.356 22.342 -0.579 1.00 0.00 C ATOM 405 C VAL A 31 -3.471 23.381 -0.520 1.00 0.00 C ATOM 406 O VAL A 31 -4.163 23.620 -1.509 1.00 0.00 O ATOM 407 CB VAL A 31 -1.584 22.508 -1.901 1.00 0.00 C ATOM 408 CG1 VAL A 31 -1.062 23.930 -2.040 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.444 21.504 -1.981 1.00 0.00 C ATOM 0 H VAL A 31 -3.382 20.647 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.672 22.500 0.255 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.268 22.315 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.519 24.028 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.899 24.628 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.393 24.155 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.091 21.635 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.241 21.664 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.846 20.492 -1.930 1.00 0.00 H new ATOM 419 N ALA A 32 -3.638 23.996 0.646 1.00 0.00 N ATOM 420 CA ALA A 32 -4.667 25.012 0.833 1.00 0.00 C ATOM 421 C ALA A 32 -4.066 26.314 1.351 1.00 0.00 C ATOM 422 O ALA A 32 -3.232 26.308 2.258 1.00 0.00 O ATOM 423 CB ALA A 32 -5.739 24.507 1.787 1.00 0.00 C ATOM 0 H ALA A 32 -3.074 23.809 1.475 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.124 25.214 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.501 25.275 1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.197 23.608 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.288 24.276 2.752 1.00 0.00 H new ATOM 429 N THR A 33 -4.493 27.430 0.769 1.00 0.00 N ATOM 430 CA THR A 33 -3.995 28.740 1.170 1.00 0.00 C ATOM 431 C THR A 33 -4.905 29.378 2.214 1.00 0.00 C ATOM 432 O THR A 33 -6.065 28.994 2.358 1.00 0.00 O ATOM 433 CB THR A 33 -3.873 29.689 -0.037 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.097 30.409 -0.219 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.541 28.914 -1.303 1.00 0.00 C ATOM 0 H THR A 33 -5.183 27.453 0.018 1.00 0.00 H new ATOM 0 HA THR A 33 -3.006 28.584 1.601 1.00 0.00 H new ATOM 0 HB THR A 33 -3.064 30.392 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.011 31.011 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.460 29.605 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.594 28.390 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.331 28.190 -1.504 1.00 0.00 H new ATOM 443 N GLY A 34 -4.371 30.355 2.941 1.00 0.00 N ATOM 444 CA GLY A 34 -5.149 31.031 3.962 1.00 0.00 C ATOM 445 C GLY A 34 -4.302 31.475 5.138 1.00 0.00 C ATOM 446 O GLY A 34 -3.338 30.804 5.506 1.00 0.00 O ATOM 0 H GLY A 34 -3.413 30.690 2.841 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.641 31.900 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.935 30.364 4.316 1.00 0.00 H new ATOM 450 N SER A 35 -4.661 32.610 5.728 1.00 0.00 N ATOM 451 CA SER A 35 -3.924 33.147 6.866 1.00 0.00 C ATOM 452 C SER A 35 -4.749 33.045 8.145 1.00 0.00 C ATOM 453 O SER A 35 -5.971 33.201 8.140 1.00 0.00 O ATOM 454 CB SER A 35 -3.537 34.604 6.609 1.00 0.00 C ATOM 455 OG SER A 35 -4.673 35.450 6.663 1.00 0.00 O ATOM 0 H SER A 35 -5.458 33.176 5.437 1.00 0.00 H new ATOM 0 HA SER A 35 -3.017 32.555 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.805 34.925 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.061 34.690 5.632 1.00 0.00 H new ATOM 0 HG SER A 35 -4.399 36.376 6.497 1.00 0.00 H new ATOM 461 N PRO A 36 -4.068 32.778 9.269 1.00 0.00 N ATOM 462 CA PRO A 36 -2.614 32.591 9.287 1.00 0.00 C ATOM 463 C PRO A 36 -2.188 31.296 8.605 1.00 0.00 C ATOM 464 O PRO A 36 -1.326 31.300 7.725 1.00 0.00 O ATOM 465 CB PRO A 36 -2.281 32.542 10.781 1.00 0.00 C ATOM 466 CG PRO A 36 -3.538 32.080 11.434 1.00 0.00 C ATOM 467 CD PRO A 36 -4.663 32.638 10.608 1.00 0.00 C ATOM 0 HA PRO A 36 -2.095 33.382 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.456 31.858 10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.979 33.522 11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.582 30.991 11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.596 32.435 12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.523 31.969 10.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.009 33.596 10.996 1.00 0.00 H new ATOM 475 N VAL A 37 -2.797 30.188 9.015 1.00 0.00 N ATOM 476 CA VAL A 37 -2.482 28.885 8.441 1.00 0.00 C ATOM 477 C VAL A 37 -3.639 27.909 8.623 1.00 0.00 C ATOM 478 O VAL A 37 -4.049 27.595 9.741 1.00 0.00 O ATOM 479 CB VAL A 37 -1.214 28.284 9.076 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.874 26.949 8.431 1.00 0.00 C ATOM 481 CG2 VAL A 37 -0.048 29.254 8.957 1.00 0.00 C ATOM 0 H VAL A 37 -3.511 30.167 9.743 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.308 29.042 7.377 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.407 28.110 10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.025 26.540 8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.703 26.255 8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.700 27.094 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.840 28.813 9.411 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.147 29.461 7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.294 30.184 9.470 1.00 0.00 H new ATOM 491 N PRO A 38 -4.180 27.417 7.499 1.00 0.00 N ATOM 492 CA PRO A 38 -5.298 26.468 7.508 1.00 0.00 C ATOM 493 C PRO A 38 -4.888 25.095 8.030 1.00 0.00 C ATOM 494 O PRO A 38 -3.805 24.599 7.720 1.00 0.00 O ATOM 495 CB PRO A 38 -5.702 26.382 6.034 1.00 0.00 C ATOM 496 CG PRO A 38 -4.468 26.742 5.282 1.00 0.00 C ATOM 497 CD PRO A 38 -3.742 27.747 6.133 1.00 0.00 C ATOM 0 HA PRO A 38 -6.104 26.793 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.045 25.380 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.518 27.067 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.849 25.862 5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.714 27.162 4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.661 27.659 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.007 28.769 5.862 1.00 0.00 H new ATOM 505 N THR A 39 -5.762 24.484 8.824 1.00 0.00 N ATOM 506 CA THR A 39 -5.492 23.168 9.389 1.00 0.00 C ATOM 507 C THR A 39 -5.788 22.064 8.380 1.00 0.00 C ATOM 508 O THR A 39 -6.712 22.180 7.573 1.00 0.00 O ATOM 509 CB THR A 39 -6.323 22.921 10.662 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.721 21.886 11.447 1.00 0.00 O ATOM 511 CG2 THR A 39 -7.750 22.531 10.308 1.00 0.00 C ATOM 0 H THR A 39 -6.663 24.880 9.090 1.00 0.00 H new ATOM 0 HA THR A 39 -4.433 23.147 9.646 1.00 0.00 H new ATOM 0 HB THR A 39 -6.348 23.846 11.239 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.254 21.736 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.318 22.361 11.223 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.215 23.333 9.735 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.741 21.618 9.712 1.00 0.00 H new ATOM 519 N ILE A 40 -5.001 20.995 8.430 1.00 0.00 N ATOM 520 CA ILE A 40 -5.182 19.870 7.521 1.00 0.00 C ATOM 521 C ILE A 40 -5.618 18.619 8.275 1.00 0.00 C ATOM 522 O ILE A 40 -4.849 18.048 9.050 1.00 0.00 O ATOM 523 CB ILE A 40 -3.889 19.563 6.743 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.308 20.847 6.147 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.160 18.541 5.648 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.220 21.512 5.140 1.00 0.00 C ATOM 0 H ILE A 40 -4.232 20.884 9.090 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.962 20.156 6.815 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.158 19.143 7.434 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.097 21.549 6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.357 20.617 5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.237 18.334 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.533 17.619 6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.905 18.937 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.744 22.416 4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.411 20.827 4.314 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.163 21.773 5.620 1.00 0.00 H new ATOM 538 N LEU A 41 -6.855 18.195 8.042 1.00 0.00 N ATOM 539 CA LEU A 41 -7.394 17.009 8.698 1.00 0.00 C ATOM 540 C LEU A 41 -7.704 15.917 7.679 1.00 0.00 C ATOM 541 O LEU A 41 -7.529 16.110 6.476 1.00 0.00 O ATOM 542 CB LEU A 41 -8.659 17.365 9.481 1.00 0.00 C ATOM 543 CG LEU A 41 -8.443 18.100 10.805 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.220 17.554 11.525 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.302 19.596 10.568 1.00 0.00 C ATOM 0 H LEU A 41 -7.504 18.655 7.403 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.640 16.632 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.294 17.982 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.208 16.445 9.684 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.315 17.934 11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.082 18.089 12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.362 16.493 11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.338 17.689 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.149 20.103 11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.448 19.782 9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.208 19.977 10.096 1.00 0.00 H new ATOM 557 N TRP A 42 -8.167 14.773 8.168 1.00 0.00 N ATOM 558 CA TRP A 42 -8.504 13.651 7.300 1.00 0.00 C ATOM 559 C TRP A 42 -9.708 12.887 7.839 1.00 0.00 C ATOM 560 O TRP A 42 -9.845 12.699 9.048 1.00 0.00 O ATOM 561 CB TRP A 42 -7.307 12.708 7.162 1.00 0.00 C ATOM 562 CG TRP A 42 -6.065 13.392 6.675 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.110 13.997 7.440 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.647 13.542 5.314 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.122 14.515 6.637 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.428 14.248 5.328 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.182 13.147 4.085 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -3.739 14.566 4.161 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -5.498 13.464 2.928 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.286 14.168 2.972 1.00 0.00 C ATOM 0 H TRP A 42 -8.318 14.598 9.161 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.760 14.049 6.318 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.104 12.246 8.128 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.565 11.904 6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.128 14.059 8.518 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.296 15.017 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.114 12.603 4.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.805 15.108 4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.903 13.165 1.973 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.775 14.400 2.050 1.00 0.00 H new ATOM 581 N ARG A 43 -10.579 12.449 6.935 1.00 0.00 N ATOM 582 CA ARG A 43 -11.773 11.707 7.322 1.00 0.00 C ATOM 583 C ARG A 43 -12.026 10.547 6.364 1.00 0.00 C ATOM 584 O ARG A 43 -12.044 10.726 5.146 1.00 0.00 O ATOM 585 CB ARG A 43 -12.990 12.634 7.349 1.00 0.00 C ATOM 586 CG ARG A 43 -13.084 13.479 8.609 1.00 0.00 C ATOM 587 CD ARG A 43 -14.164 14.542 8.488 1.00 0.00 C ATOM 588 NE ARG A 43 -14.444 15.186 9.768 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.257 16.228 9.905 1.00 0.00 C ATOM 590 NH1 ARG A 43 -15.865 16.741 8.844 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.462 16.759 11.103 1.00 0.00 N ATOM 0 H ARG A 43 -10.480 12.595 5.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.611 11.303 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.953 13.293 6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.895 12.034 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.298 12.837 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.123 13.956 8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.852 15.295 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.077 14.089 8.103 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.990 14.816 10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.709 16.336 7.921 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.489 17.541 8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.995 16.367 11.921 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.086 17.559 11.206 1.00 0.00 H new ATOM 605 N LYS A 44 -12.219 9.357 6.922 1.00 0.00 N ATOM 606 CA LYS A 44 -12.472 8.166 6.119 1.00 0.00 C ATOM 607 C LYS A 44 -13.940 7.759 6.196 1.00 0.00 C ATOM 608 O LYS A 44 -14.430 7.367 7.255 1.00 0.00 O ATOM 609 CB LYS A 44 -11.585 7.011 6.589 1.00 0.00 C ATOM 610 CG LYS A 44 -11.791 5.727 5.803 1.00 0.00 C ATOM 611 CD LYS A 44 -11.515 4.501 6.657 1.00 0.00 C ATOM 612 CE LYS A 44 -11.053 3.325 5.810 1.00 0.00 C ATOM 613 NZ LYS A 44 -11.395 2.019 6.440 1.00 0.00 N ATOM 0 H LYS A 44 -12.205 9.191 7.928 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.233 8.400 5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.540 7.311 6.511 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.783 6.818 7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.814 5.688 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.133 5.722 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.753 4.738 7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.417 4.226 7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.514 3.384 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.975 3.385 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.284 1.257 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.760 1.845 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.380 2.042 6.774 1.00 0.00 H new ATOM 627 N ASP A 45 -14.635 7.852 5.068 1.00 0.00 N ATOM 628 CA ASP A 45 -16.046 7.491 5.007 1.00 0.00 C ATOM 629 C ASP A 45 -16.820 8.126 6.159 1.00 0.00 C ATOM 630 O ASP A 45 -17.547 7.446 6.881 1.00 0.00 O ATOM 631 CB ASP A 45 -16.207 5.970 5.045 1.00 0.00 C ATOM 632 CG ASP A 45 -15.416 5.277 3.954 1.00 0.00 C ATOM 633 OD1 ASP A 45 -15.581 5.648 2.774 1.00 0.00 O ATOM 634 OD2 ASP A 45 -14.631 4.361 4.281 1.00 0.00 O ATOM 0 H ASP A 45 -14.244 8.175 4.183 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.452 7.868 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.883 5.597 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.262 5.717 4.942 1.00 0.00 H new ATOM 639 N GLY A 46 -16.656 9.435 6.324 1.00 0.00 N ATOM 640 CA GLY A 46 -17.344 10.140 7.390 1.00 0.00 C ATOM 641 C GLY A 46 -16.869 9.715 8.766 1.00 0.00 C ATOM 642 O GLY A 46 -17.645 9.703 9.722 1.00 0.00 O ATOM 0 H GLY A 46 -16.059 10.020 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.190 11.212 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.416 9.961 7.307 1.00 0.00 H new ATOM 646 N VAL A 47 -15.591 9.365 8.867 1.00 0.00 N ATOM 647 CA VAL A 47 -15.014 8.937 10.136 1.00 0.00 C ATOM 648 C VAL A 47 -13.673 9.617 10.387 1.00 0.00 C ATOM 649 O VAL A 47 -12.730 9.460 9.610 1.00 0.00 O ATOM 650 CB VAL A 47 -14.819 7.410 10.178 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.376 6.965 11.563 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.098 6.698 9.764 1.00 0.00 C ATOM 0 H VAL A 47 -14.935 9.369 8.086 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.717 9.227 10.917 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.035 7.142 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.244 5.883 11.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.432 7.448 11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.134 7.244 12.295 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.942 5.620 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.903 6.971 10.446 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.366 6.993 8.749 1.00 0.00 H new ATOM 662 N LEU A 48 -13.594 10.373 11.476 1.00 0.00 N ATOM 663 CA LEU A 48 -12.366 11.077 11.831 1.00 0.00 C ATOM 664 C LEU A 48 -11.164 10.141 11.771 1.00 0.00 C ATOM 665 O LEU A 48 -11.159 9.079 12.394 1.00 0.00 O ATOM 666 CB LEU A 48 -12.488 11.681 13.232 1.00 0.00 C ATOM 667 CG LEU A 48 -13.048 13.102 13.304 1.00 0.00 C ATOM 668 CD1 LEU A 48 -12.033 14.103 12.775 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.353 13.201 12.527 1.00 0.00 C ATOM 0 H LEU A 48 -14.365 10.515 12.129 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.214 11.879 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.124 11.030 13.832 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.501 11.677 13.695 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.251 13.340 14.348 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.449 15.109 12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.124 14.051 13.374 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.797 13.868 11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.737 14.219 12.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.175 12.943 11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.083 12.511 12.952 1.00 0.00 H new ATOM 681 N VAL A 49 -10.144 10.542 11.019 1.00 0.00 N ATOM 682 CA VAL A 49 -8.934 9.741 10.880 1.00 0.00 C ATOM 683 C VAL A 49 -8.242 9.554 12.225 1.00 0.00 C ATOM 684 O VAL A 49 -8.287 10.433 13.086 1.00 0.00 O ATOM 685 CB VAL A 49 -7.945 10.384 9.890 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.367 11.666 10.470 1.00 0.00 C ATOM 687 CG2 VAL A 49 -6.838 9.405 9.532 1.00 0.00 C ATOM 0 H VAL A 49 -10.132 11.418 10.496 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.241 8.769 10.494 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.484 10.637 8.977 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.670 12.106 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.174 12.371 10.671 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.842 11.441 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.148 9.876 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.299 9.119 10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.272 8.517 9.072 1.00 0.00 H new ATOM 697 N SER A 50 -7.600 8.403 12.399 1.00 0.00 N ATOM 698 CA SER A 50 -6.899 8.099 13.642 1.00 0.00 C ATOM 699 C SER A 50 -5.397 8.318 13.486 1.00 0.00 C ATOM 700 O SER A 50 -4.626 7.364 13.377 1.00 0.00 O ATOM 701 CB SER A 50 -7.175 6.656 14.067 1.00 0.00 C ATOM 702 OG SER A 50 -8.312 6.580 14.909 1.00 0.00 O ATOM 0 H SER A 50 -7.551 7.666 11.696 1.00 0.00 H new ATOM 0 HA SER A 50 -7.268 8.774 14.414 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.331 6.037 13.183 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.306 6.255 14.588 1.00 0.00 H new ATOM 0 HG SER A 50 -8.468 5.647 15.165 1.00 0.00 H new ATOM 708 N THR A 51 -4.987 9.583 13.477 1.00 0.00 N ATOM 709 CA THR A 51 -3.579 9.929 13.334 1.00 0.00 C ATOM 710 C THR A 51 -2.738 9.272 14.422 1.00 0.00 C ATOM 711 O THR A 51 -1.568 8.956 14.209 1.00 0.00 O ATOM 712 CB THR A 51 -3.367 11.453 13.386 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.453 12.122 12.735 1.00 0.00 O ATOM 714 CG2 THR A 51 -2.054 11.840 12.722 1.00 0.00 C ATOM 0 H THR A 51 -5.611 10.385 13.567 1.00 0.00 H new ATOM 0 HA THR A 51 -3.260 9.559 12.360 1.00 0.00 H new ATOM 0 HB THR A 51 -3.330 11.757 14.432 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.311 13.091 12.774 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.926 12.921 12.771 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.227 11.353 13.239 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.066 11.523 11.679 1.00 0.00 H new ATOM 722 N GLN A 52 -3.342 9.069 15.589 1.00 0.00 N ATOM 723 CA GLN A 52 -2.647 8.449 16.711 1.00 0.00 C ATOM 724 C GLN A 52 -2.177 7.044 16.351 1.00 0.00 C ATOM 725 O GLN A 52 -1.182 6.555 16.886 1.00 0.00 O ATOM 726 CB GLN A 52 -3.560 8.396 17.937 1.00 0.00 C ATOM 727 CG GLN A 52 -4.699 7.399 17.805 1.00 0.00 C ATOM 728 CD GLN A 52 -5.450 7.194 19.106 1.00 0.00 C ATOM 729 OE1 GLN A 52 -5.010 6.445 19.978 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.590 7.861 19.243 1.00 0.00 N ATOM 0 H GLN A 52 -4.310 9.325 15.782 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.772 9.056 16.944 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.964 8.140 18.813 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.975 9.388 18.113 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.394 7.746 17.040 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.302 6.443 17.465 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.917 8.471 18.494 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.139 7.763 20.097 1.00 0.00 H new ATOM 739 N ASP A 53 -2.900 6.398 15.442 1.00 0.00 N ATOM 740 CA ASP A 53 -2.557 5.049 15.009 1.00 0.00 C ATOM 741 C ASP A 53 -1.212 5.034 14.289 1.00 0.00 C ATOM 742 O ASP A 53 -1.000 5.781 13.334 1.00 0.00 O ATOM 743 CB ASP A 53 -3.646 4.491 14.092 1.00 0.00 C ATOM 744 CG ASP A 53 -3.769 2.983 14.189 1.00 0.00 C ATOM 745 OD1 ASP A 53 -3.972 2.476 15.311 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.660 2.311 13.142 1.00 0.00 O ATOM 0 H ASP A 53 -3.728 6.788 14.991 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.482 4.419 15.895 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.602 4.948 14.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.426 4.769 13.061 1.00 0.00 H new ATOM 751 N SER A 54 -0.307 4.179 14.754 1.00 0.00 N ATOM 752 CA SER A 54 1.020 4.071 14.158 1.00 0.00 C ATOM 753 C SER A 54 0.938 4.135 12.636 1.00 0.00 C ATOM 754 O SER A 54 1.602 4.954 12.002 1.00 0.00 O ATOM 755 CB SER A 54 1.691 2.765 14.589 1.00 0.00 C ATOM 756 OG SER A 54 3.101 2.900 14.613 1.00 0.00 O ATOM 0 H SER A 54 -0.468 3.551 15.541 1.00 0.00 H new ATOM 0 HA SER A 54 1.619 4.912 14.509 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.333 2.478 15.578 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.411 1.965 13.904 1.00 0.00 H new ATOM 0 HG SER A 54 3.506 2.053 14.893 1.00 0.00 H new ATOM 762 N ARG A 55 0.118 3.264 12.057 1.00 0.00 N ATOM 763 CA ARG A 55 -0.051 3.220 10.609 1.00 0.00 C ATOM 764 C ARG A 55 -0.092 4.629 10.024 1.00 0.00 C ATOM 765 O ARG A 55 0.630 4.938 9.075 1.00 0.00 O ATOM 766 CB ARG A 55 -1.333 2.468 10.247 1.00 0.00 C ATOM 767 CG ARG A 55 -1.334 1.015 10.693 1.00 0.00 C ATOM 768 CD ARG A 55 -2.449 0.227 10.023 1.00 0.00 C ATOM 769 NE ARG A 55 -3.730 0.409 10.699 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.550 1.427 10.459 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.223 2.348 9.564 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.699 1.523 11.115 1.00 0.00 N ATOM 0 H ARG A 55 -0.440 2.580 12.568 1.00 0.00 H new ATOM 0 HA ARG A 55 0.803 2.693 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.183 2.978 10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.475 2.508 9.167 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.372 0.560 10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.452 0.966 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.540 0.541 8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.190 -0.832 10.015 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.011 -0.283 11.394 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.340 2.276 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.854 3.128 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.954 0.815 11.804 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.328 2.305 10.930 1.00 0.00 H new ATOM 786 N ILE A 56 -0.941 5.477 10.594 1.00 0.00 N ATOM 787 CA ILE A 56 -1.075 6.852 10.129 1.00 0.00 C ATOM 788 C ILE A 56 -0.165 7.789 10.916 1.00 0.00 C ATOM 789 O ILE A 56 -0.145 7.765 12.147 1.00 0.00 O ATOM 790 CB ILE A 56 -2.528 7.346 10.246 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.455 6.481 9.390 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.626 8.807 9.832 1.00 0.00 C ATOM 793 CD1 ILE A 56 -4.017 5.285 10.128 1.00 0.00 C ATOM 0 H ILE A 56 -1.547 5.236 11.379 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.781 6.861 9.079 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.842 7.261 11.286 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.280 7.095 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.908 6.133 8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.660 9.142 9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.992 9.412 10.480 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.297 8.915 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.665 4.717 9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.199 4.649 10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.592 5.626 10.989 1.00 0.00 H new ATOM 805 N LYS A 57 0.586 8.617 10.197 1.00 0.00 N ATOM 806 CA LYS A 57 1.496 9.566 10.827 1.00 0.00 C ATOM 807 C LYS A 57 1.636 10.828 9.981 1.00 0.00 C ATOM 808 O LYS A 57 1.621 10.767 8.752 1.00 0.00 O ATOM 809 CB LYS A 57 2.870 8.925 11.036 1.00 0.00 C ATOM 810 CG LYS A 57 3.862 9.831 11.745 1.00 0.00 C ATOM 811 CD LYS A 57 5.161 9.103 12.052 1.00 0.00 C ATOM 812 CE LYS A 57 5.973 8.858 10.790 1.00 0.00 C ATOM 813 NZ LYS A 57 7.090 7.902 11.027 1.00 0.00 N ATOM 0 H LYS A 57 0.582 8.650 9.178 1.00 0.00 H new ATOM 0 HA LYS A 57 1.080 9.842 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.750 8.009 11.614 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.280 8.639 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.070 10.702 11.123 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.422 10.199 12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.750 9.689 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.941 8.151 12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.321 8.468 10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.375 9.804 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.620 7.761 10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.726 8.285 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.705 6.991 11.349 1.00 0.00 H new ATOM 827 N GLN A 58 1.774 11.970 10.648 1.00 0.00 N ATOM 828 CA GLN A 58 1.917 13.245 9.957 1.00 0.00 C ATOM 829 C GLN A 58 3.388 13.596 9.761 1.00 0.00 C ATOM 830 O GLN A 58 4.110 13.850 10.726 1.00 0.00 O ATOM 831 CB GLN A 58 1.215 14.356 10.740 1.00 0.00 C ATOM 832 CG GLN A 58 -0.253 14.520 10.380 1.00 0.00 C ATOM 833 CD GLN A 58 -0.843 15.811 10.913 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.483 16.271 11.997 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.755 16.404 10.151 1.00 0.00 N ATOM 0 H GLN A 58 1.790 12.037 11.666 1.00 0.00 H new ATOM 0 HA GLN A 58 1.451 13.152 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.298 14.146 11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.732 15.298 10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.362 14.495 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.817 13.676 10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.024 15.988 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.187 17.276 10.457 1.00 0.00 H new ATOM 844 N LEU A 59 3.827 13.608 8.508 1.00 0.00 N ATOM 845 CA LEU A 59 5.213 13.927 8.185 1.00 0.00 C ATOM 846 C LEU A 59 5.425 15.437 8.127 1.00 0.00 C ATOM 847 O LEU A 59 6.201 15.994 8.903 1.00 0.00 O ATOM 848 CB LEU A 59 5.606 13.294 6.849 1.00 0.00 C ATOM 849 CG LEU A 59 5.385 11.786 6.730 1.00 0.00 C ATOM 850 CD1 LEU A 59 6.113 11.051 7.845 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.899 11.460 6.756 1.00 0.00 C ATOM 0 H LEU A 59 3.243 13.400 7.698 1.00 0.00 H new ATOM 0 HA LEU A 59 5.846 13.519 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.043 13.787 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.660 13.502 6.668 1.00 0.00 H new ATOM 0 HG LEU A 59 5.792 11.453 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.945 9.979 7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.181 11.258 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.736 11.389 8.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.761 10.382 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.467 11.807 7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.403 11.957 5.922 1.00 0.00 H new ATOM 863 N GLU A 60 4.728 16.092 7.205 1.00 0.00 N ATOM 864 CA GLU A 60 4.839 17.538 7.048 1.00 0.00 C ATOM 865 C GLU A 60 3.529 18.227 7.416 1.00 0.00 C ATOM 866 O GLU A 60 2.559 17.576 7.803 1.00 0.00 O ATOM 867 CB GLU A 60 5.226 17.888 5.610 1.00 0.00 C ATOM 868 CG GLU A 60 6.456 17.148 5.112 1.00 0.00 C ATOM 869 CD GLU A 60 7.749 17.762 5.614 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.733 18.952 5.993 1.00 0.00 O ATOM 871 OE2 GLU A 60 8.776 17.052 5.627 1.00 0.00 O ATOM 0 H GLU A 60 4.081 15.645 6.555 1.00 0.00 H new ATOM 0 HA GLU A 60 5.618 17.893 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.386 17.663 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.406 18.961 5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.404 16.107 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.458 17.146 4.022 1.00 0.00 H new ATOM 878 N ASN A 61 3.509 19.551 7.294 1.00 0.00 N ATOM 879 CA ASN A 61 2.319 20.330 7.615 1.00 0.00 C ATOM 880 C ASN A 61 1.057 19.618 7.138 1.00 0.00 C ATOM 881 O ASN A 61 0.270 19.119 7.942 1.00 0.00 O ATOM 882 CB ASN A 61 2.406 21.719 6.979 1.00 0.00 C ATOM 883 CG ASN A 61 3.778 22.344 7.141 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.643 22.135 6.155 1.00 0.00 O flip ATOM 885 ND2 ASN A 61 4.057 23.006 8.140 1.00 0.00 N flip ATOM 0 H ASN A 61 4.303 20.106 6.975 1.00 0.00 H new ATOM 0 HA ASN A 61 2.267 20.437 8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.166 21.646 5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.658 22.370 7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.361 23.141 8.873 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.984 23.420 8.235 1.00 0.00 H new ATOM 892 N GLY A 62 0.871 19.574 5.822 1.00 0.00 N ATOM 893 CA GLY A 62 -0.297 18.920 5.259 1.00 0.00 C ATOM 894 C GLY A 62 0.061 17.689 4.451 1.00 0.00 C ATOM 895 O GLY A 62 -0.327 17.565 3.290 1.00 0.00 O ATOM 0 H GLY A 62 1.508 19.979 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.975 18.638 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.833 19.625 4.623 1.00 0.00 H new ATOM 899 N VAL A 63 0.806 16.775 5.066 1.00 0.00 N ATOM 900 CA VAL A 63 1.217 15.547 4.397 1.00 0.00 C ATOM 901 C VAL A 63 0.993 14.332 5.290 1.00 0.00 C ATOM 902 O VAL A 63 1.759 14.083 6.221 1.00 0.00 O ATOM 903 CB VAL A 63 2.700 15.602 3.986 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.084 14.356 3.201 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.983 16.859 3.177 1.00 0.00 C ATOM 0 H VAL A 63 1.137 16.863 6.027 1.00 0.00 H new ATOM 0 HA VAL A 63 0.602 15.454 3.502 1.00 0.00 H new ATOM 0 HB VAL A 63 3.308 15.635 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.135 14.413 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.921 13.473 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.471 14.289 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.036 16.881 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.367 16.860 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.750 17.738 3.777 1.00 0.00 H new ATOM 915 N LEU A 64 -0.062 13.579 5.000 1.00 0.00 N ATOM 916 CA LEU A 64 -0.388 12.388 5.777 1.00 0.00 C ATOM 917 C LEU A 64 -0.266 11.130 4.923 1.00 0.00 C ATOM 918 O LEU A 64 -1.052 10.917 4.000 1.00 0.00 O ATOM 919 CB LEU A 64 -1.804 12.497 6.345 1.00 0.00 C ATOM 920 CG LEU A 64 -2.214 11.409 7.339 1.00 0.00 C ATOM 921 CD1 LEU A 64 -1.863 11.824 8.759 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.702 11.113 7.221 1.00 0.00 C ATOM 0 H LEU A 64 -0.706 13.772 4.233 1.00 0.00 H new ATOM 0 HA LEU A 64 0.323 12.316 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.904 13.465 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.509 12.486 5.514 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.662 10.499 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.162 11.038 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.788 11.986 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.387 12.746 9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.976 10.337 7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.271 12.018 7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.926 10.772 6.210 1.00 0.00 H new ATOM 934 N GLN A 65 0.723 10.300 5.239 1.00 0.00 N ATOM 935 CA GLN A 65 0.946 9.062 4.500 1.00 0.00 C ATOM 936 C GLN A 65 0.589 7.848 5.352 1.00 0.00 C ATOM 937 O GLN A 65 1.088 7.692 6.467 1.00 0.00 O ATOM 938 CB GLN A 65 2.403 8.970 4.046 1.00 0.00 C ATOM 939 CG GLN A 65 2.889 7.544 3.845 1.00 0.00 C ATOM 940 CD GLN A 65 4.369 7.471 3.526 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.759 7.130 2.408 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.204 7.791 4.508 1.00 0.00 N ATOM 0 H GLN A 65 1.382 10.462 6.001 1.00 0.00 H new ATOM 0 HA GLN A 65 0.299 9.070 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.519 9.520 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.037 9.460 4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.687 6.965 4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.324 7.082 3.036 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.838 8.068 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.211 7.760 4.351 1.00 0.00 H new ATOM 951 N ILE A 66 -0.278 6.993 4.820 1.00 0.00 N ATOM 952 CA ILE A 66 -0.700 5.793 5.531 1.00 0.00 C ATOM 953 C ILE A 66 -0.042 4.547 4.948 1.00 0.00 C ATOM 954 O ILE A 66 -0.183 4.257 3.760 1.00 0.00 O ATOM 955 CB ILE A 66 -2.230 5.620 5.485 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.923 6.857 6.061 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.646 4.371 6.247 1.00 0.00 C ATOM 958 CD1 ILE A 66 -3.087 7.979 5.059 1.00 0.00 C ATOM 0 H ILE A 66 -0.702 7.109 3.899 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.387 5.915 6.568 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.536 5.506 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.905 6.571 6.438 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.349 7.222 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.730 4.263 6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.177 3.497 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.330 4.457 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.585 8.823 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.107 8.292 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.687 7.631 4.218 1.00 0.00 H new ATOM 970 N ARG A 67 0.676 3.814 5.792 1.00 0.00 N ATOM 971 CA ARG A 67 1.356 2.599 5.361 1.00 0.00 C ATOM 972 C ARG A 67 0.502 1.367 5.646 1.00 0.00 C ATOM 973 O ARG A 67 -0.380 1.396 6.505 1.00 0.00 O ATOM 974 CB ARG A 67 2.708 2.468 6.065 1.00 0.00 C ATOM 975 CG ARG A 67 3.776 3.398 5.512 1.00 0.00 C ATOM 976 CD ARG A 67 4.909 3.599 6.505 1.00 0.00 C ATOM 977 NE ARG A 67 5.755 4.735 6.148 1.00 0.00 N ATOM 978 CZ ARG A 67 6.661 5.262 6.965 1.00 0.00 C ATOM 979 NH1 ARG A 67 6.837 4.758 8.178 1.00 0.00 N ATOM 980 NH2 ARG A 67 7.393 6.295 6.567 1.00 0.00 N ATOM 0 H ARG A 67 0.802 4.040 6.779 1.00 0.00 H new ATOM 0 HA ARG A 67 1.519 2.667 4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.576 2.672 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.055 1.438 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.173 2.987 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.330 4.362 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.495 3.755 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.516 2.695 6.550 1.00 0.00 H new ATOM 0 HE ARG A 67 5.644 5.146 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.276 3.964 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.533 5.164 8.803 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.260 6.685 5.634 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.088 6.699 7.194 1.00 0.00 H new ATOM 994 N TYR A 68 0.768 0.288 4.919 1.00 0.00 N ATOM 995 CA TYR A 68 0.022 -0.953 5.091 1.00 0.00 C ATOM 996 C TYR A 68 -1.453 -0.752 4.757 1.00 0.00 C ATOM 997 O TYR A 68 -2.332 -1.108 5.541 1.00 0.00 O ATOM 998 CB TYR A 68 0.167 -1.465 6.525 1.00 0.00 C ATOM 999 CG TYR A 68 1.601 -1.548 6.997 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.428 -2.586 6.589 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.128 -0.586 7.850 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.739 -2.666 7.018 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.438 -0.657 8.283 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.239 -1.699 7.865 1.00 0.00 C ATOM 1005 OH TYR A 68 5.545 -1.775 8.293 1.00 0.00 O ATOM 0 H TYR A 68 1.495 0.247 4.205 1.00 0.00 H new ATOM 0 HA TYR A 68 0.434 -1.693 4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.389 -0.809 7.194 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.288 -2.453 6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.040 -3.344 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.503 0.231 8.180 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.368 -3.481 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.833 0.099 8.945 1.00 0.00 H new ATOM 0 HH TYR A 68 5.741 -1.017 8.883 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.715 -0.179 3.587 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.083 0.067 3.147 1.00 0.00 C ATOM 1017 C ALA A 69 -3.839 -1.241 2.945 1.00 0.00 C ATOM 1018 O ALA A 69 -3.704 -1.896 1.911 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.085 0.883 1.862 1.00 0.00 C ATOM 0 H ALA A 69 -0.998 0.123 2.927 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.592 0.634 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.113 1.059 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.590 1.838 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.554 0.336 1.083 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.635 -1.619 3.940 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.413 -2.849 3.873 1.00 0.00 C ATOM 1027 C LYS A 70 -6.652 -2.663 3.003 1.00 0.00 C ATOM 1028 O LYS A 70 -7.094 -1.537 2.768 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.826 -3.293 5.278 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.681 -3.294 6.277 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.143 -3.738 7.654 1.00 0.00 C ATOM 1032 CE LYS A 70 -4.166 -3.305 8.737 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.501 -1.959 9.279 1.00 0.00 N ATOM 0 H LYS A 70 -4.758 -1.090 4.803 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.788 -3.620 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.614 -2.633 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.250 -4.296 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.891 -3.958 5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.252 -2.294 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.127 -3.318 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.249 -4.823 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.174 -4.035 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.155 -3.291 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.111 -1.864 10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.092 -1.226 8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.534 -1.846 9.313 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.210 -3.771 2.530 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.400 -3.730 1.687 1.00 0.00 C ATOM 1049 C LEU A 71 -9.503 -2.904 2.342 1.00 0.00 C ATOM 1050 O LEU A 71 -10.226 -2.171 1.669 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.904 -5.148 1.411 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.080 -5.972 0.422 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.482 -7.438 0.483 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.244 -5.431 -0.991 1.00 0.00 C ATOM 0 H LEU A 71 -6.858 -4.710 2.716 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.130 -3.258 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.946 -5.688 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.925 -5.083 1.036 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.029 -5.892 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.885 -8.009 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.312 -7.820 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.538 -7.536 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.650 -6.030 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.294 -5.479 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.905 -4.395 -1.026 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.624 -3.028 3.660 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.639 -2.286 4.385 1.00 0.00 C ATOM 1068 C GLY A 72 -10.380 -0.793 4.380 1.00 0.00 C ATOM 1069 O GLY A 72 -11.284 0.002 4.641 1.00 0.00 O ATOM 0 H GLY A 72 -9.037 -3.629 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.615 -2.484 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.678 -2.641 5.415 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.143 -0.410 4.085 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.767 0.999 4.048 1.00 0.00 C ATOM 1075 C ASP A 73 -9.468 1.718 2.900 1.00 0.00 C ATOM 1076 O ASP A 73 -9.694 2.928 2.956 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.251 1.140 3.904 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.802 2.589 3.901 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.875 3.230 2.831 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.379 3.081 4.967 1.00 0.00 O ATOM 0 H ASP A 73 -8.383 -1.055 3.868 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.080 1.458 4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.761 0.612 4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.931 0.661 2.979 1.00 0.00 H new ATOM 1085 N THR A 74 -9.810 0.967 1.858 1.00 0.00 N ATOM 1086 CA THR A 74 -10.484 1.533 0.696 1.00 0.00 C ATOM 1087 C THR A 74 -11.615 2.464 1.115 1.00 0.00 C ATOM 1088 O THR A 74 -12.749 2.030 1.314 1.00 0.00 O ATOM 1089 CB THR A 74 -11.053 0.430 -0.216 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.014 -0.481 -0.592 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.684 1.031 -1.463 1.00 0.00 C ATOM 0 H THR A 74 -9.631 -0.035 1.795 1.00 0.00 H new ATOM 0 HA THR A 74 -9.736 2.101 0.143 1.00 0.00 H new ATOM 0 HB THR A 74 -11.822 -0.107 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.923 -1.175 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.079 0.233 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.495 1.700 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.931 1.591 -2.018 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.299 3.749 1.248 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.301 4.722 1.643 1.00 0.00 C ATOM 1101 C GLY A 75 -12.108 6.062 0.961 1.00 0.00 C ATOM 1102 O GLY A 75 -11.084 6.299 0.321 1.00 0.00 O ATOM 0 H GLY A 75 -10.368 4.133 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.292 4.336 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.264 4.859 2.724 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.096 6.941 1.096 1.00 0.00 N ATOM 1107 CA ARG A 76 -13.032 8.263 0.485 1.00 0.00 C ATOM 1108 C ARG A 76 -12.357 9.262 1.420 1.00 0.00 C ATOM 1109 O ARG A 76 -12.919 9.644 2.447 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.437 8.752 0.127 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.369 8.854 1.323 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.808 9.083 0.889 1.00 0.00 C ATOM 1113 NE ARG A 76 -17.306 7.998 0.048 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.159 7.966 -1.272 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -16.532 8.953 -1.897 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -17.639 6.944 -1.970 1.00 0.00 N ATOM 0 H ARG A 76 -13.950 6.761 1.623 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.439 8.186 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.362 9.730 -0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.873 8.073 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.307 7.940 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.048 9.672 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.442 9.178 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.877 10.025 0.344 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.793 7.223 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.161 9.740 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.421 8.926 -2.911 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.121 6.182 -1.493 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.526 6.920 -2.983 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.149 9.680 1.059 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.396 10.631 1.867 1.00 0.00 C ATOM 1132 C TYR A 77 -10.739 12.067 1.479 1.00 0.00 C ATOM 1133 O TYR A 77 -10.896 12.384 0.299 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.894 10.393 1.706 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.423 9.079 2.288 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.486 7.906 1.547 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.917 9.011 3.581 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.058 6.703 2.075 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.486 7.813 4.116 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.558 6.662 3.360 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.131 5.467 3.890 1.00 0.00 O ATOM 0 H TYR A 77 -10.670 9.375 0.212 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.671 10.480 2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.642 10.422 0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.352 11.208 2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.876 7.935 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.860 9.910 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.115 5.800 1.485 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.094 7.778 5.122 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.589 4.990 3.227 1.00 0.00 H new ATOM 1151 N THR A 78 -10.853 12.932 2.481 1.00 0.00 N ATOM 1152 CA THR A 78 -11.178 14.334 2.247 1.00 0.00 C ATOM 1153 C THR A 78 -10.376 15.245 3.169 1.00 0.00 C ATOM 1154 O THR A 78 -10.296 15.011 4.375 1.00 0.00 O ATOM 1155 CB THR A 78 -12.680 14.605 2.456 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.424 14.134 1.327 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.939 16.091 2.657 1.00 0.00 C ATOM 0 H THR A 78 -10.725 12.687 3.463 1.00 0.00 H new ATOM 0 HA THR A 78 -10.918 14.550 1.211 1.00 0.00 H new ATOM 0 HB THR A 78 -13.002 14.072 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.843 13.587 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.006 16.258 2.803 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.394 16.440 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.602 16.641 1.778 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.783 16.287 2.595 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.987 17.235 3.365 1.00 0.00 C ATOM 1167 C CYS A 79 -9.821 18.449 3.761 1.00 0.00 C ATOM 1168 O CYS A 79 -10.550 19.008 2.942 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.767 17.682 2.557 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.025 19.243 3.133 1.00 0.00 S ATOM 0 H CYS A 79 -9.839 16.496 1.598 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.650 16.736 4.273 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.012 16.897 2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.057 17.794 1.512 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.707 18.852 5.023 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.449 20.000 5.528 1.00 0.00 C ATOM 1177 C ILE A 80 -9.509 21.145 5.890 1.00 0.00 C ATOM 1178 O ILE A 80 -8.477 20.937 6.526 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.288 19.629 6.764 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.107 18.365 6.492 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.200 20.784 7.152 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.359 17.085 6.790 1.00 0.00 C ATOM 0 H ILE A 80 -9.108 18.400 5.714 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.118 20.320 4.729 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.613 19.429 7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.015 18.394 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.417 18.360 5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.787 20.506 8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.597 21.662 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.871 21.012 6.324 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.000 16.230 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.464 17.033 6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.072 17.067 7.842 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.876 22.356 5.481 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.068 23.535 5.766 1.00 0.00 C ATOM 1196 C ALA A 81 -9.840 24.536 6.619 1.00 0.00 C ATOM 1197 O ALA A 81 -10.785 25.169 6.148 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.609 24.186 4.470 1.00 0.00 C ATOM 0 H ALA A 81 -10.727 22.545 4.952 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.191 23.217 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.007 25.065 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.012 23.476 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.479 24.484 3.885 1.00 0.00 H new ATOM 1204 N SER A 82 -9.431 24.675 7.876 1.00 0.00 N ATOM 1205 CA SER A 82 -10.087 25.597 8.796 1.00 0.00 C ATOM 1206 C SER A 82 -9.213 26.820 9.055 1.00 0.00 C ATOM 1207 O SER A 82 -8.002 26.705 9.245 1.00 0.00 O ATOM 1208 CB SER A 82 -10.403 24.893 10.117 1.00 0.00 C ATOM 1209 OG SER A 82 -11.284 25.669 10.911 1.00 0.00 O ATOM 0 H SER A 82 -8.648 24.161 8.281 1.00 0.00 H new ATOM 0 HA SER A 82 -11.018 25.929 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.851 23.920 9.916 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.479 24.711 10.666 1.00 0.00 H new ATOM 0 HG SER A 82 -11.472 25.196 11.749 1.00 0.00 H new ATOM 1215 N THR A 83 -9.837 27.994 9.061 1.00 0.00 N ATOM 1216 CA THR A 83 -9.118 29.240 9.295 1.00 0.00 C ATOM 1217 C THR A 83 -9.980 30.237 10.062 1.00 0.00 C ATOM 1218 O THR A 83 -11.206 30.126 10.109 1.00 0.00 O ATOM 1219 CB THR A 83 -8.664 29.884 7.972 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.571 29.536 6.920 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.258 29.432 7.605 1.00 0.00 C ATOM 0 H THR A 83 -10.839 28.108 8.906 1.00 0.00 H new ATOM 0 HA THR A 83 -8.239 28.990 9.890 1.00 0.00 H new ATOM 0 HB THR A 83 -8.659 30.966 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.467 29.401 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.959 29.900 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.564 29.724 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.242 28.348 7.491 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.328 31.235 10.676 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.016 32.271 11.451 1.00 0.00 C ATOM 1231 C PRO A 84 -10.826 33.214 10.567 1.00 0.00 C ATOM 1232 O PRO A 84 -11.429 34.171 11.053 1.00 0.00 O ATOM 1233 CB PRO A 84 -8.871 33.027 12.130 1.00 0.00 C ATOM 1234 CG PRO A 84 -7.693 32.803 11.245 1.00 0.00 C ATOM 1235 CD PRO A 84 -7.868 31.428 10.662 1.00 0.00 C ATOM 0 HA PRO A 84 -10.737 31.846 12.149 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.099 34.089 12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.688 32.649 13.136 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.646 33.557 10.459 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.763 32.872 11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.464 31.366 9.652 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.357 30.671 11.257 1.00 0.00 H new ATOM 1243 N SER A 85 -10.836 32.936 9.268 1.00 0.00 N ATOM 1244 CA SER A 85 -11.570 33.762 8.315 1.00 0.00 C ATOM 1245 C SER A 85 -12.648 32.947 7.607 1.00 0.00 C ATOM 1246 O SER A 85 -13.700 33.471 7.243 1.00 0.00 O ATOM 1247 CB SER A 85 -10.612 34.365 7.286 1.00 0.00 C ATOM 1248 OG SER A 85 -10.117 35.618 7.723 1.00 0.00 O ATOM 0 H SER A 85 -10.345 32.146 8.850 1.00 0.00 H new ATOM 0 HA SER A 85 -12.053 34.568 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.780 33.682 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.127 34.486 6.333 1.00 0.00 H new ATOM 0 HG SER A 85 -9.506 35.982 7.049 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.377 31.659 7.415 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.332 30.791 6.751 1.00 0.00 C ATOM 1256 C GLY A 86 -12.920 29.333 6.798 1.00 0.00 C ATOM 1257 O GLY A 86 -12.176 28.921 7.687 1.00 0.00 O ATOM 0 H GLY A 86 -11.513 31.202 7.707 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.309 30.905 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.439 31.102 5.712 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.407 28.552 5.839 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.087 27.130 5.777 1.00 0.00 C ATOM 1263 C GLU A 87 -13.320 26.581 4.373 1.00 0.00 C ATOM 1264 O GLU A 87 -14.186 27.061 3.642 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.930 26.350 6.788 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.458 24.921 6.999 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.538 24.030 7.582 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.696 24.125 7.123 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.226 23.239 8.496 1.00 0.00 O ATOM 0 H GLU A 87 -14.024 28.879 5.095 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.032 27.010 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.914 26.874 7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.966 26.336 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.126 24.508 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.595 24.922 7.664 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.539 25.572 4.001 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.660 24.956 2.686 1.00 0.00 C ATOM 1278 C ALA A 88 -12.441 23.449 2.763 1.00 0.00 C ATOM 1279 O ALA A 88 -12.004 22.925 3.789 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.672 25.585 1.715 1.00 0.00 C ATOM 0 H ALA A 88 -11.815 25.164 4.593 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.672 25.132 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.774 25.115 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.877 26.652 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.657 25.439 2.084 1.00 0.00 H new ATOM 1286 N THR A 89 -12.748 22.754 1.672 1.00 0.00 N ATOM 1287 CA THR A 89 -12.587 21.306 1.617 1.00 0.00 C ATOM 1288 C THR A 89 -12.226 20.847 0.209 1.00 0.00 C ATOM 1289 O THR A 89 -12.302 21.621 -0.745 1.00 0.00 O ATOM 1290 CB THR A 89 -13.868 20.581 2.069 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.994 21.069 1.331 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.106 20.780 3.558 1.00 0.00 C ATOM 0 H THR A 89 -13.110 23.171 0.814 1.00 0.00 H new ATOM 0 HA THR A 89 -11.775 21.052 2.299 1.00 0.00 H new ATOM 0 HB THR A 89 -13.743 19.515 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.804 20.602 1.623 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.016 20.259 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.261 20.380 4.118 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.212 21.844 3.771 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.835 19.583 0.087 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.463 19.021 -1.207 1.00 0.00 C ATOM 1302 C TRP A 90 -11.998 17.601 -1.357 1.00 0.00 C ATOM 1303 O TRP A 90 -12.311 16.938 -0.368 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.942 19.025 -1.369 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.495 18.796 -2.781 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.950 17.653 -3.293 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.554 19.733 -3.862 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.666 17.824 -4.626 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -9.028 19.091 -5.000 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -10.002 21.051 -3.980 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.938 19.724 -6.237 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.911 21.678 -5.208 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -9.383 21.015 -6.323 1.00 0.00 C ATOM 0 H TRP A 90 -11.767 18.929 0.867 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.906 19.641 -1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.549 19.981 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.514 18.253 -0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.769 16.748 -2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.252 17.121 -5.238 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -10.412 21.571 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.531 19.214 -7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -10.253 22.697 -5.310 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -9.326 21.533 -7.269 1.00 0.00 H new ATOM 1324 N SER A 91 -12.102 17.140 -2.599 1.00 0.00 N ATOM 1325 CA SER A 91 -12.603 15.800 -2.878 1.00 0.00 C ATOM 1326 C SER A 91 -11.467 14.871 -3.297 1.00 0.00 C ATOM 1327 O SER A 91 -10.554 15.275 -4.016 1.00 0.00 O ATOM 1328 CB SER A 91 -13.667 15.848 -3.976 1.00 0.00 C ATOM 1329 OG SER A 91 -14.558 14.751 -3.872 1.00 0.00 O ATOM 0 H SER A 91 -11.846 17.675 -3.429 1.00 0.00 H new ATOM 0 HA SER A 91 -13.051 15.410 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.225 16.782 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.186 15.838 -4.954 1.00 0.00 H new ATOM 0 HG SER A 91 -15.229 14.806 -4.584 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.531 13.625 -2.840 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.510 12.637 -3.167 1.00 0.00 C ATOM 1337 C ALA A 92 -10.965 11.231 -2.791 1.00 0.00 C ATOM 1338 O ALA A 92 -11.760 11.052 -1.868 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.203 12.977 -2.465 1.00 0.00 C ATOM 0 H ALA A 92 -12.280 13.275 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.348 12.661 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.449 12.231 -2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.862 13.961 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.360 12.983 -1.386 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.458 10.238 -3.512 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.815 8.848 -3.256 1.00 0.00 C ATOM 1347 C TYR A 93 -9.612 7.931 -3.454 1.00 0.00 C ATOM 1348 O TYR A 93 -8.829 8.108 -4.388 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.957 8.415 -4.177 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.332 6.957 -4.032 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.323 6.338 -2.788 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.695 6.199 -5.139 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.664 5.006 -2.651 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -13.039 4.868 -5.011 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.022 4.275 -3.765 1.00 0.00 C ATOM 1356 OH TYR A 93 -13.363 2.949 -3.634 1.00 0.00 O ATOM 0 H TYR A 93 -9.798 10.370 -4.279 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.143 8.769 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.833 9.029 -3.969 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.671 8.607 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.045 6.908 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.708 6.659 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.650 4.540 -1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.320 4.294 -5.882 1.00 0.00 H new ATOM 0 HH TYR A 93 -12.834 2.412 -4.260 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.472 6.950 -2.568 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.366 6.004 -2.646 1.00 0.00 C ATOM 1368 C ILE A 94 -8.874 4.566 -2.688 1.00 0.00 C ATOM 1369 O ILE A 94 -9.651 4.148 -1.831 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.405 6.161 -1.453 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.924 7.610 -1.346 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.223 5.214 -1.595 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -6.311 8.139 -2.623 1.00 0.00 C ATOM 0 H ILE A 94 -10.110 6.790 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.828 6.224 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.940 5.906 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.766 8.244 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.190 7.682 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.553 5.338 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.583 4.186 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.685 5.439 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.993 9.171 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.449 7.529 -2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -7.049 8.099 -3.424 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.428 3.816 -3.691 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.837 2.425 -3.843 1.00 0.00 C ATOM 1387 C GLU A 95 -7.683 1.480 -3.524 1.00 0.00 C ATOM 1388 O GLU A 95 -6.543 1.715 -3.926 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.340 2.171 -5.266 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.656 0.712 -5.549 1.00 0.00 C ATOM 1391 CD GLU A 95 -10.957 0.263 -4.914 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.018 0.807 -5.285 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -10.914 -0.632 -4.044 1.00 0.00 O ATOM 0 H GLU A 95 -7.784 4.148 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.646 2.232 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.236 2.768 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.587 2.515 -5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.710 0.558 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.842 0.089 -5.179 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.986 0.409 -2.797 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.975 -0.573 -2.423 1.00 0.00 C ATOM 1402 C VAL A 96 -7.273 -1.933 -3.045 1.00 0.00 C ATOM 1403 O VAL A 96 -8.272 -2.571 -2.716 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.883 -0.729 -0.894 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.805 -1.737 -0.524 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.615 0.616 -0.236 1.00 0.00 C ATOM 0 H VAL A 96 -8.924 0.199 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.021 -0.205 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.839 -1.103 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.754 -1.834 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.045 -2.705 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.842 -1.395 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.553 0.487 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.674 1.022 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.426 1.305 -0.473 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.398 -2.370 -3.945 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.568 -3.654 -4.614 1.00 0.00 C ATOM 1418 C GLN A 97 -5.494 -4.643 -4.173 1.00 0.00 C ATOM 1419 O GLN A 97 -4.351 -4.262 -3.922 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.519 -3.474 -6.132 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.768 -2.824 -6.707 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.574 -2.350 -8.134 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -6.660 -2.794 -8.830 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.435 -1.442 -8.579 1.00 0.00 N ATOM 0 H GLN A 97 -5.565 -1.854 -4.227 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.543 -4.054 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.651 -2.867 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.377 -4.448 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.592 -3.537 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.053 -1.977 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.178 -1.101 -7.969 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.354 -1.085 -9.531 1.00 0.00 H new ATOM 1433 N GLU A 98 -5.869 -5.915 -4.082 1.00 0.00 N ATOM 1434 CA GLU A 98 -4.937 -6.959 -3.670 1.00 0.00 C ATOM 1435 C GLU A 98 -3.925 -7.251 -4.775 1.00 0.00 C ATOM 1436 O GLU A 98 -4.296 -7.491 -5.924 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.696 -8.237 -3.307 1.00 0.00 C ATOM 1438 CG GLU A 98 -4.965 -9.114 -2.304 1.00 0.00 C ATOM 1439 CD GLU A 98 -5.289 -10.586 -2.471 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -4.718 -11.219 -3.384 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.114 -11.105 -1.691 1.00 0.00 O ATOM 0 H GLU A 98 -6.811 -6.248 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.398 -6.604 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.670 -7.968 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.878 -8.812 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.891 -8.968 -2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.227 -8.800 -1.294 1.00 0.00 H new ATOM 1448 N PHE A 99 -2.645 -7.228 -4.417 1.00 0.00 N ATOM 1449 CA PHE A 99 -1.579 -7.489 -5.377 1.00 0.00 C ATOM 1450 C PHE A 99 -1.816 -8.807 -6.108 1.00 0.00 C ATOM 1451 O PHE A 99 -2.674 -9.599 -5.721 1.00 0.00 O ATOM 1452 CB PHE A 99 -0.223 -7.522 -4.669 1.00 0.00 C ATOM 1453 CG PHE A 99 0.942 -7.320 -5.595 1.00 0.00 C ATOM 1454 CD1 PHE A 99 1.137 -6.105 -6.230 1.00 0.00 C ATOM 1455 CD2 PHE A 99 1.842 -8.347 -5.831 1.00 0.00 C ATOM 1456 CE1 PHE A 99 2.209 -5.916 -7.083 1.00 0.00 C ATOM 1457 CE2 PHE A 99 2.915 -8.164 -6.682 1.00 0.00 C ATOM 1458 CZ PHE A 99 3.098 -6.947 -7.310 1.00 0.00 C ATOM 0 H PHE A 99 -2.321 -7.031 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.579 -6.682 -6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.204 -6.749 -3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.111 -8.480 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.444 -5.295 -6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.703 -9.301 -5.344 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.350 -4.963 -7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.610 -8.972 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.935 -6.803 -7.977 1.00 0.00 H new ATOM 1468 N GLY A 100 -1.047 -9.035 -7.169 1.00 0.00 N ATOM 1469 CA GLY A 100 -1.188 -10.257 -7.939 1.00 0.00 C ATOM 1470 C GLY A 100 -0.503 -11.439 -7.281 1.00 0.00 C ATOM 1471 O GLY A 100 0.295 -12.132 -7.912 1.00 0.00 O ATOM 0 H GLY A 100 -0.329 -8.395 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.247 -10.481 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.770 -10.106 -8.934 1.00 0.00 H new ATOM 1475 N VAL A 101 -0.813 -11.668 -6.009 1.00 0.00 N ATOM 1476 CA VAL A 101 -0.220 -12.774 -5.265 1.00 0.00 C ATOM 1477 C VAL A 101 -1.094 -14.020 -5.345 1.00 0.00 C ATOM 1478 O VAL A 101 -2.299 -13.981 -5.095 1.00 0.00 O ATOM 1479 CB VAL A 101 -0.006 -12.404 -3.786 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -1.321 -11.986 -3.144 1.00 0.00 C ATOM 1481 CG2 VAL A 101 0.619 -13.567 -3.031 1.00 0.00 C ATOM 0 H VAL A 101 -1.471 -11.103 -5.472 1.00 0.00 H new ATOM 0 HA VAL A 101 0.747 -12.982 -5.723 1.00 0.00 H new ATOM 0 HB VAL A 101 0.680 -11.558 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.150 -11.728 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.724 -11.120 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.033 -12.810 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.763 -13.288 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.040 -14.433 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.582 -13.814 -3.477 1.00 0.00 H new ATOM 1491 N PRO A 102 -0.475 -15.156 -5.700 1.00 0.00 N ATOM 1492 CA PRO A 102 -1.177 -16.437 -5.819 1.00 0.00 C ATOM 1493 C PRO A 102 -1.617 -16.985 -4.466 1.00 0.00 C ATOM 1494 O PRO A 102 -1.235 -16.462 -3.419 1.00 0.00 O ATOM 1495 CB PRO A 102 -0.131 -17.357 -6.455 1.00 0.00 C ATOM 1496 CG PRO A 102 1.180 -16.762 -6.070 1.00 0.00 C ATOM 1497 CD PRO A 102 0.959 -15.276 -6.012 1.00 0.00 C ATOM 0 HA PRO A 102 -2.095 -16.346 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.226 -18.378 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.245 -17.397 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.514 -17.145 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.952 -17.014 -6.798 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.577 -14.807 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.206 -14.796 -6.959 1.00 0.00 H new ATOM 1505 N VAL A 103 -2.422 -18.043 -4.495 1.00 0.00 N ATOM 1506 CA VAL A 103 -2.912 -18.663 -3.270 1.00 0.00 C ATOM 1507 C VAL A 103 -1.792 -19.392 -2.536 1.00 0.00 C ATOM 1508 O VAL A 103 -1.463 -20.532 -2.862 1.00 0.00 O ATOM 1509 CB VAL A 103 -4.052 -19.658 -3.562 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -4.543 -20.300 -2.274 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -5.192 -18.962 -4.290 1.00 0.00 C ATOM 0 H VAL A 103 -2.748 -18.488 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.293 -17.860 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.667 -20.447 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.348 -20.999 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.721 -20.834 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.913 -19.527 -1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -5.989 -19.679 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.578 -18.152 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.827 -18.555 -5.233 1.00 0.00 H new ATOM 1521 N GLN A 104 -1.211 -18.725 -1.544 1.00 0.00 N ATOM 1522 CA GLN A 104 -0.126 -19.310 -0.764 1.00 0.00 C ATOM 1523 C GLN A 104 -0.663 -19.980 0.497 1.00 0.00 C ATOM 1524 O GLN A 104 -1.526 -19.446 1.193 1.00 0.00 O ATOM 1525 CB GLN A 104 0.897 -18.237 -0.390 1.00 0.00 C ATOM 1526 CG GLN A 104 0.288 -16.859 -0.189 1.00 0.00 C ATOM 1527 CD GLN A 104 1.254 -15.882 0.452 1.00 0.00 C ATOM 1528 OE1 GLN A 104 2.422 -15.804 0.070 1.00 0.00 O ATOM 1529 NE2 GLN A 104 0.771 -15.129 1.434 1.00 0.00 N ATOM 0 H GLN A 104 -1.473 -17.781 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 104 0.362 -20.068 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.407 -18.537 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.654 -18.180 -1.172 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.036 -16.465 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.602 -16.947 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.204 -15.226 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.375 -14.454 1.903 1.00 0.00 H new ATOM 1538 N PRO A 105 -0.141 -21.178 0.799 1.00 0.00 N ATOM 1539 CA PRO A 105 -0.553 -21.947 1.977 1.00 0.00 C ATOM 1540 C PRO A 105 -0.086 -21.306 3.279 1.00 0.00 C ATOM 1541 O PRO A 105 0.890 -20.555 3.315 1.00 0.00 O ATOM 1542 CB PRO A 105 0.129 -23.302 1.773 1.00 0.00 C ATOM 1543 CG PRO A 105 1.308 -23.007 0.911 1.00 0.00 C ATOM 1544 CD PRO A 105 0.891 -21.875 0.013 1.00 0.00 C ATOM 0 HA PRO A 105 -1.638 -22.010 2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.433 -23.739 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.542 -24.015 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.172 -22.729 1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.594 -23.882 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.729 -21.219 -0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.496 -22.239 -0.935 1.00 0.00 H new ATOM 1552 N PRO A 106 -0.797 -21.607 4.376 1.00 0.00 N ATOM 1553 CA PRO A 106 -0.472 -21.071 5.702 1.00 0.00 C ATOM 1554 C PRO A 106 0.822 -21.652 6.261 1.00 0.00 C ATOM 1555 O PRO A 106 1.416 -22.553 5.668 1.00 0.00 O ATOM 1556 CB PRO A 106 -1.665 -21.499 6.560 1.00 0.00 C ATOM 1557 CG PRO A 106 -2.208 -22.707 5.877 1.00 0.00 C ATOM 1558 CD PRO A 106 -1.971 -22.494 4.408 1.00 0.00 C ATOM 0 HA PRO A 106 -0.312 -19.993 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.357 -21.726 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.413 -20.709 6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.708 -23.610 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.271 -22.830 6.087 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.778 -23.434 3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.834 -22.036 3.924 1.00 0.00 H new ATOM 1566 N ARG A 107 1.253 -21.132 7.405 1.00 0.00 N ATOM 1567 CA ARG A 107 2.478 -21.599 8.044 1.00 0.00 C ATOM 1568 C ARG A 107 2.552 -23.123 8.026 1.00 0.00 C ATOM 1569 O ARG A 107 1.537 -23.819 8.042 1.00 0.00 O ATOM 1570 CB ARG A 107 2.552 -21.092 9.485 1.00 0.00 C ATOM 1571 CG ARG A 107 1.649 -21.848 10.445 1.00 0.00 C ATOM 1572 CD ARG A 107 1.884 -21.420 11.885 1.00 0.00 C ATOM 1573 NE ARG A 107 3.264 -21.644 12.306 1.00 0.00 N ATOM 1574 CZ ARG A 107 4.247 -20.776 12.096 1.00 0.00 C ATOM 1575 NH1 ARG A 107 4.003 -19.631 11.474 1.00 0.00 N ATOM 1576 NH2 ARG A 107 5.478 -21.053 12.508 1.00 0.00 N ATOM 0 H ARG A 107 0.772 -20.387 7.909 1.00 0.00 H new ATOM 0 HA ARG A 107 3.325 -21.204 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.582 -21.166 9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.284 -20.036 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.606 -21.675 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.829 -22.919 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 107 1.639 -20.363 11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 107 1.211 -21.972 12.541 1.00 0.00 H new ATOM 0 HE ARG A 107 3.485 -22.515 12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.058 -19.415 11.155 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.760 -18.966 11.314 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.670 -21.933 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 107 6.232 -20.386 12.346 1.00 0.00 H new ATOM 1590 N PRO A 108 3.783 -23.655 7.991 1.00 0.00 N ATOM 1591 CA PRO A 108 4.020 -25.102 7.969 1.00 0.00 C ATOM 1592 C PRO A 108 3.664 -25.767 9.295 1.00 0.00 C ATOM 1593 O PRO A 108 4.393 -25.642 10.280 1.00 0.00 O ATOM 1594 CB PRO A 108 5.524 -25.211 7.703 1.00 0.00 C ATOM 1595 CG PRO A 108 6.092 -23.931 8.210 1.00 0.00 C ATOM 1596 CD PRO A 108 5.038 -22.886 7.969 1.00 0.00 C ATOM 0 HA PRO A 108 3.404 -25.605 7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 108 5.956 -26.068 8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.730 -25.342 6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.334 -24.004 9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 108 7.016 -23.681 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.051 -22.117 8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.183 -22.382 7.014 1.00 0.00 H new ATOM 1604 N THR A 109 2.540 -26.475 9.313 1.00 0.00 N ATOM 1605 CA THR A 109 2.087 -27.160 10.517 1.00 0.00 C ATOM 1606 C THR A 109 2.577 -28.603 10.547 1.00 0.00 C ATOM 1607 O THR A 109 2.042 -29.465 9.848 1.00 0.00 O ATOM 1608 CB THR A 109 0.550 -27.149 10.625 1.00 0.00 C ATOM 1609 OG1 THR A 109 -0.014 -28.057 9.673 1.00 0.00 O ATOM 1610 CG2 THR A 109 0.001 -25.751 10.388 1.00 0.00 C ATOM 0 H THR A 109 1.926 -26.589 8.507 1.00 0.00 H new ATOM 0 HA THR A 109 2.508 -26.619 11.365 1.00 0.00 H new ATOM 0 HB THR A 109 0.276 -27.463 11.632 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.706 -28.540 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.086 -25.768 10.469 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.410 -25.068 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.285 -25.413 9.391 1.00 0.00 H new ATOM 1618 N ASP A 110 3.596 -28.860 11.359 1.00 0.00 N ATOM 1619 CA ASP A 110 4.157 -30.201 11.481 1.00 0.00 C ATOM 1620 C ASP A 110 4.198 -30.642 12.941 1.00 0.00 C ATOM 1621 O ASP A 110 5.213 -30.514 13.625 1.00 0.00 O ATOM 1622 CB ASP A 110 5.564 -30.244 10.882 1.00 0.00 C ATOM 1623 CG ASP A 110 6.341 -28.968 11.137 1.00 0.00 C ATOM 1624 OD1 ASP A 110 6.471 -28.578 12.316 1.00 0.00 O ATOM 1625 OD2 ASP A 110 6.819 -28.358 10.157 1.00 0.00 O ATOM 0 H ASP A 110 4.051 -28.158 11.943 1.00 0.00 H new ATOM 0 HA ASP A 110 3.515 -30.889 10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 110 6.109 -31.088 11.303 1.00 0.00 H new ATOM 0 HB3 ASP A 110 5.493 -30.414 9.808 1.00 0.00 H new ATOM 1630 N PRO A 111 3.069 -31.174 13.430 1.00 0.00 N ATOM 1631 CA PRO A 111 2.950 -31.645 14.814 1.00 0.00 C ATOM 1632 C PRO A 111 3.770 -32.904 15.070 1.00 0.00 C ATOM 1633 O PRO A 111 3.818 -33.408 16.191 1.00 0.00 O ATOM 1634 CB PRO A 111 1.455 -31.940 14.961 1.00 0.00 C ATOM 1635 CG PRO A 111 0.987 -32.224 13.575 1.00 0.00 C ATOM 1636 CD PRO A 111 1.820 -31.358 12.671 1.00 0.00 C ATOM 0 HA PRO A 111 3.326 -30.912 15.528 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.282 -32.791 15.619 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.924 -31.091 15.392 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.112 -33.279 13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.073 -31.995 13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 111 2.001 -31.838 11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 111 1.331 -30.406 12.465 1.00 0.00 H new ATOM 1644 N ASN A 112 4.415 -33.408 14.022 1.00 0.00 N ATOM 1645 CA ASN A 112 5.233 -34.610 14.135 1.00 0.00 C ATOM 1646 C ASN A 112 6.665 -34.259 14.528 1.00 0.00 C ATOM 1647 O ASN A 112 7.281 -34.941 15.347 1.00 0.00 O ATOM 1648 CB ASN A 112 5.230 -35.380 12.812 1.00 0.00 C ATOM 1649 CG ASN A 112 5.979 -34.648 11.715 1.00 0.00 C ATOM 1650 OD1 ASN A 112 5.407 -33.824 11.001 1.00 0.00 O ATOM 1651 ND2 ASN A 112 7.265 -34.947 11.576 1.00 0.00 N ATOM 0 H ASN A 112 4.387 -33.003 13.086 1.00 0.00 H new ATOM 0 HA ASN A 112 4.805 -35.239 14.915 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.681 -36.360 12.964 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.201 -35.549 12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.820 -34.487 10.855 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.698 -35.637 12.191 1.00 0.00 H new ATOM 1658 N LEU A 113 7.188 -33.189 13.939 1.00 0.00 N ATOM 1659 CA LEU A 113 8.548 -32.745 14.227 1.00 0.00 C ATOM 1660 C LEU A 113 8.546 -31.347 14.838 1.00 0.00 C ATOM 1661 O LEU A 113 7.889 -30.438 14.330 1.00 0.00 O ATOM 1662 CB LEU A 113 9.390 -32.755 12.951 1.00 0.00 C ATOM 1663 CG LEU A 113 10.614 -31.838 12.947 1.00 0.00 C ATOM 1664 CD1 LEU A 113 11.742 -32.449 13.764 1.00 0.00 C ATOM 1665 CD2 LEU A 113 11.072 -31.566 11.521 1.00 0.00 C ATOM 0 H LEU A 113 6.691 -32.613 13.259 1.00 0.00 H new ATOM 0 HA LEU A 113 8.985 -33.436 14.948 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.725 -33.776 12.769 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.749 -32.476 12.115 1.00 0.00 H new ATOM 0 HG LEU A 113 10.335 -30.889 13.405 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.604 -31.782 13.749 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.411 -32.591 14.793 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.021 -33.412 13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.944 -30.912 11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.333 -32.507 11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.267 -31.084 10.966 1.00 0.00 H new ATOM 1677 N ILE A 114 9.286 -31.183 15.929 1.00 0.00 N ATOM 1678 CA ILE A 114 9.372 -29.895 16.606 1.00 0.00 C ATOM 1679 C ILE A 114 10.623 -29.133 16.180 1.00 0.00 C ATOM 1680 O ILE A 114 11.707 -29.698 16.041 1.00 0.00 O ATOM 1681 CB ILE A 114 9.384 -30.064 18.137 1.00 0.00 C ATOM 1682 CG1 ILE A 114 8.100 -30.751 18.606 1.00 0.00 C ATOM 1683 CG2 ILE A 114 9.546 -28.713 18.817 1.00 0.00 C ATOM 1684 CD1 ILE A 114 8.220 -31.388 19.973 1.00 0.00 C ATOM 0 H ILE A 114 9.834 -31.925 16.363 1.00 0.00 H new ATOM 0 HA ILE A 114 8.487 -29.327 16.318 1.00 0.00 H new ATOM 0 HB ILE A 114 10.231 -30.692 18.412 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.292 -30.019 18.625 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.821 -31.516 17.881 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.553 -28.849 19.899 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.485 -28.258 18.503 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.716 -28.063 18.538 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.273 -31.856 20.241 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.006 -32.143 19.955 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.468 -30.624 20.710 1.00 0.00 H new ATOM 1696 N PRO A 115 10.470 -27.817 15.970 1.00 0.00 N ATOM 1697 CA PRO A 115 11.576 -26.947 15.559 1.00 0.00 C ATOM 1698 C PRO A 115 12.602 -26.750 16.671 1.00 0.00 C ATOM 1699 O PRO A 115 12.288 -26.204 17.728 1.00 0.00 O ATOM 1700 CB PRO A 115 10.883 -25.623 15.230 1.00 0.00 C ATOM 1701 CG PRO A 115 9.634 -25.637 16.041 1.00 0.00 C ATOM 1702 CD PRO A 115 9.206 -27.076 16.117 1.00 0.00 C ATOM 0 HA PRO A 115 12.138 -27.368 14.725 1.00 0.00 H new ATOM 0 HB2 PRO A 115 11.513 -24.772 15.488 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.663 -25.545 14.165 1.00 0.00 H new ATOM 0 HG2 PRO A 115 9.810 -25.229 17.036 1.00 0.00 H new ATOM 0 HG3 PRO A 115 8.861 -25.024 15.578 1.00 0.00 H new ATOM 0 HD2 PRO A 115 8.717 -27.300 17.065 1.00 0.00 H new ATOM 0 HD3 PRO A 115 8.499 -27.327 15.326 1.00 0.00 H new ATOM 1710 N SER A 116 13.829 -27.197 16.424 1.00 0.00 N ATOM 1711 CA SER A 116 14.900 -27.072 17.405 1.00 0.00 C ATOM 1712 C SER A 116 16.018 -26.177 16.879 1.00 0.00 C ATOM 1713 O SER A 116 16.040 -25.821 15.702 1.00 0.00 O ATOM 1714 CB SER A 116 15.460 -28.452 17.759 1.00 0.00 C ATOM 1715 OG SER A 116 14.456 -29.282 18.316 1.00 0.00 O ATOM 0 H SER A 116 14.106 -27.649 15.553 1.00 0.00 H new ATOM 0 HA SER A 116 14.485 -26.615 18.303 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.870 -28.922 16.865 1.00 0.00 H new ATOM 0 HB3 SER A 116 16.281 -28.344 18.467 1.00 0.00 H new ATOM 0 HG SER A 116 14.838 -30.158 18.532 1.00 0.00 H new ATOM 1721 N ALA A 117 16.944 -25.817 17.762 1.00 0.00 N ATOM 1722 CA ALA A 117 18.066 -24.965 17.387 1.00 0.00 C ATOM 1723 C ALA A 117 19.073 -24.852 18.526 1.00 0.00 C ATOM 1724 O ALA A 117 18.714 -24.817 19.704 1.00 0.00 O ATOM 1725 CB ALA A 117 17.569 -23.586 16.981 1.00 0.00 C ATOM 0 H ALA A 117 16.939 -26.102 18.741 1.00 0.00 H new ATOM 0 HA ALA A 117 18.569 -25.423 16.535 1.00 0.00 H new ATOM 0 HB1 ALA A 117 18.418 -22.961 16.704 1.00 0.00 H new ATOM 0 HB2 ALA A 117 16.893 -23.679 16.131 1.00 0.00 H new ATOM 0 HB3 ALA A 117 17.040 -23.129 17.817 1.00 0.00 H new ATOM 1731 N PRO A 118 20.365 -24.794 18.171 1.00 0.00 N ATOM 1732 CA PRO A 118 21.451 -24.684 19.150 1.00 0.00 C ATOM 1733 C PRO A 118 21.477 -23.322 19.836 1.00 0.00 C ATOM 1734 O PRO A 118 20.557 -22.520 19.679 1.00 0.00 O ATOM 1735 CB PRO A 118 22.712 -24.880 18.304 1.00 0.00 C ATOM 1736 CG PRO A 118 22.316 -24.460 16.931 1.00 0.00 C ATOM 1737 CD PRO A 118 20.866 -24.830 16.787 1.00 0.00 C ATOM 0 HA PRO A 118 21.346 -25.408 19.958 1.00 0.00 H new ATOM 0 HB2 PRO A 118 23.538 -24.277 18.680 1.00 0.00 H new ATOM 0 HB3 PRO A 118 23.042 -25.919 18.320 1.00 0.00 H new ATOM 0 HG2 PRO A 118 22.461 -23.388 16.794 1.00 0.00 H new ATOM 0 HG3 PRO A 118 22.924 -24.963 16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 118 20.333 -24.125 16.148 1.00 0.00 H new ATOM 0 HD3 PRO A 118 20.746 -25.818 16.342 1.00 0.00 H new TER 1745 PRO A 118