USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 ASN : amide:sc= -2.43! C(o=-1.3!,f=-4.8!) USER MOD Set 1.2: A 62 SER OG : rot -131:sc= 1.12 USER MOD Set 2.1: A 11 CYS SG : rot -110:sc= -0.892 USER MOD Set 2.2: A 41 TYR OH : rot -15:sc= -0.241 USER MOD Set 3.1: A 33 SER OG : rot -162:sc= 2.79 USER MOD Set 3.2: A 36 THR OG1 : rot 26:sc= 1.17 USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 23 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 42:sc= 0.406 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 36:sc= 0.106 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -156:sc= -0.0854 (180deg=-1.22) USER MOD Single : A 53 GLN :FLIP amide:sc= 0.102 F(o=-0.88,f=0.1) USER MOD Single : A 55 CYS SG : rot -31:sc= -0.33 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 8:sc= 0.884 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.908 USER MOD Single : A 72 THR OG1 : rot 67:sc= 0.569 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 130:sc= 0.394 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 16:sc= 0.273 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.8! C(o=-4.9!,f=-3.8!) USER MOD Single : A 82 SER OG : rot 160:sc=-0.00785 USER MOD Single : A 90 SER OG : rot 100:sc= 0.00132 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0202 USER MOD Single : A 97 THR OG1 : rot -166:sc= 0.435 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 41:sc= 0.464 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.554 -27.067 11.480 1.00 0.00 N ATOM 2 CA GLY A 1 -7.550 -26.791 10.460 1.00 0.00 C ATOM 3 C GLY A 1 -7.961 -25.332 10.431 1.00 0.00 C ATOM 4 O GLY A 1 -8.987 -24.958 10.999 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.306 -28.077 11.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.703 -26.498 11.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.938 -26.824 12.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.154 -27.073 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.430 -27.410 10.638 1.00 0.00 H new ATOM 8 N SER A 2 -7.158 -24.506 9.768 1.00 0.00 N ATOM 9 CA SER A 2 -7.440 -23.079 9.672 1.00 0.00 C ATOM 10 C SER A 2 -8.170 -22.756 8.372 1.00 0.00 C ATOM 11 O SER A 2 -7.875 -21.760 7.712 1.00 0.00 O ATOM 12 CB SER A 2 -6.142 -22.273 9.754 1.00 0.00 C ATOM 13 OG SER A 2 -5.668 -22.206 11.088 1.00 0.00 O ATOM 0 H SER A 2 -6.307 -24.801 9.289 1.00 0.00 H new ATOM 0 HA SER A 2 -8.083 -22.805 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.385 -22.731 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.311 -21.266 9.373 1.00 0.00 H new ATOM 0 HG SER A 2 -4.837 -21.687 11.114 1.00 0.00 H new ATOM 19 N SER A 3 -9.127 -23.607 8.011 1.00 0.00 N ATOM 20 CA SER A 3 -9.897 -23.416 6.788 1.00 0.00 C ATOM 21 C SER A 3 -11.283 -22.860 7.101 1.00 0.00 C ATOM 22 O SER A 3 -11.806 -23.045 8.200 1.00 0.00 O ATOM 23 CB SER A 3 -10.026 -24.737 6.029 1.00 0.00 C ATOM 24 OG SER A 3 -10.269 -24.514 4.651 1.00 0.00 O ATOM 0 H SER A 3 -9.387 -24.434 8.548 1.00 0.00 H new ATOM 0 HA SER A 3 -9.367 -22.697 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.113 -25.320 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.839 -25.326 6.454 1.00 0.00 H new ATOM 0 HG SER A 3 -10.346 -25.375 4.189 1.00 0.00 H new ATOM 30 N GLY A 4 -11.873 -22.175 6.126 1.00 0.00 N ATOM 31 CA GLY A 4 -13.193 -21.602 6.315 1.00 0.00 C ATOM 32 C GLY A 4 -13.142 -20.229 6.957 1.00 0.00 C ATOM 33 O GLY A 4 -13.698 -20.020 8.035 1.00 0.00 O ATOM 0 H GLY A 4 -11.460 -22.007 5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.696 -21.531 5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.790 -22.269 6.937 1.00 0.00 H new ATOM 37 N SER A 5 -12.471 -19.293 6.294 1.00 0.00 N ATOM 38 CA SER A 5 -12.345 -17.935 6.809 1.00 0.00 C ATOM 39 C SER A 5 -13.238 -16.972 6.032 1.00 0.00 C ATOM 40 O SER A 5 -13.528 -17.192 4.856 1.00 0.00 O ATOM 41 CB SER A 5 -10.889 -17.470 6.733 1.00 0.00 C ATOM 42 OG SER A 5 -10.737 -16.174 7.283 1.00 0.00 O ATOM 0 H SER A 5 -12.006 -19.450 5.400 1.00 0.00 H new ATOM 0 HA SER A 5 -12.665 -17.939 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.251 -18.173 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.559 -17.468 5.694 1.00 0.00 H new ATOM 0 HG SER A 5 -9.798 -15.902 7.224 1.00 0.00 H new ATOM 48 N SER A 6 -13.671 -15.906 6.697 1.00 0.00 N ATOM 49 CA SER A 6 -14.534 -14.912 6.071 1.00 0.00 C ATOM 50 C SER A 6 -13.708 -13.859 5.339 1.00 0.00 C ATOM 51 O SER A 6 -13.064 -13.016 5.962 1.00 0.00 O ATOM 52 CB SER A 6 -15.421 -14.242 7.122 1.00 0.00 C ATOM 53 OG SER A 6 -14.645 -13.729 8.191 1.00 0.00 O ATOM 0 H SER A 6 -13.438 -15.709 7.670 1.00 0.00 H new ATOM 0 HA SER A 6 -15.166 -15.422 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.990 -13.435 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.143 -14.962 7.506 1.00 0.00 H new ATOM 0 HG SER A 6 -13.844 -13.293 7.834 1.00 0.00 H new ATOM 59 N GLY A 7 -13.731 -13.916 4.011 1.00 0.00 N ATOM 60 CA GLY A 7 -12.981 -12.963 3.214 1.00 0.00 C ATOM 61 C GLY A 7 -12.029 -13.637 2.247 1.00 0.00 C ATOM 62 O GLY A 7 -11.811 -14.848 2.299 1.00 0.00 O ATOM 0 H GLY A 7 -14.256 -14.605 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.675 -12.335 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.417 -12.306 3.875 1.00 0.00 H new ATOM 66 N PRO A 8 -11.444 -12.845 1.337 1.00 0.00 N ATOM 67 CA PRO A 8 -10.502 -13.352 0.334 1.00 0.00 C ATOM 68 C PRO A 8 -9.176 -13.785 0.953 1.00 0.00 C ATOM 69 O PRO A 8 -8.981 -13.681 2.163 1.00 0.00 O ATOM 70 CB PRO A 8 -10.291 -12.153 -0.593 1.00 0.00 C ATOM 71 CG PRO A 8 -10.585 -10.962 0.253 1.00 0.00 C ATOM 72 CD PRO A 8 -11.657 -11.393 1.215 1.00 0.00 C ATOM 0 HA PRO A 8 -10.884 -14.238 -0.173 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.271 -12.124 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.955 -12.199 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.693 -10.631 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.922 -10.124 -0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.559 -10.890 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.653 -11.164 0.836 1.00 0.00 H new ATOM 80 N ASP A 9 -8.268 -14.271 0.113 1.00 0.00 N ATOM 81 CA ASP A 9 -6.960 -14.719 0.576 1.00 0.00 C ATOM 82 C ASP A 9 -6.041 -13.530 0.842 1.00 0.00 C ATOM 83 O ASP A 9 -6.284 -12.427 0.356 1.00 0.00 O ATOM 84 CB ASP A 9 -6.323 -15.653 -0.453 1.00 0.00 C ATOM 85 CG ASP A 9 -5.382 -16.657 0.181 1.00 0.00 C ATOM 86 OD1 ASP A 9 -5.866 -17.534 0.928 1.00 0.00 O ATOM 87 OD2 ASP A 9 -4.161 -16.568 -0.068 1.00 0.00 O ATOM 0 H ASP A 9 -8.414 -14.365 -0.892 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.099 -15.263 1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.108 -16.185 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.777 -15.061 -1.188 1.00 0.00 H new ATOM 92 N GLN A 10 -4.988 -13.765 1.616 1.00 0.00 N ATOM 93 CA GLN A 10 -4.033 -12.713 1.947 1.00 0.00 C ATOM 94 C GLN A 10 -3.612 -11.947 0.697 1.00 0.00 C ATOM 95 O GLN A 10 -3.504 -12.522 -0.387 1.00 0.00 O ATOM 96 CB GLN A 10 -2.803 -13.308 2.633 1.00 0.00 C ATOM 97 CG GLN A 10 -1.947 -12.276 3.351 1.00 0.00 C ATOM 98 CD GLN A 10 -0.490 -12.684 3.435 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.167 -13.796 3.854 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.401 -11.784 3.035 1.00 0.00 N ATOM 0 H GLN A 10 -4.774 -14.674 2.026 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.520 -12.018 2.631 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.127 -14.062 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.193 -13.819 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.024 -11.321 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.336 -12.123 4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.090 -10.874 2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.397 -12.003 3.068 1.00 0.00 H new ATOM 109 N CYS A 11 -3.378 -10.650 0.855 1.00 0.00 N ATOM 110 CA CYS A 11 -2.969 -9.805 -0.261 1.00 0.00 C ATOM 111 C CYS A 11 -1.451 -9.659 -0.307 1.00 0.00 C ATOM 112 O CYS A 11 -0.805 -9.451 0.719 1.00 0.00 O ATOM 113 CB CYS A 11 -3.622 -8.426 -0.150 1.00 0.00 C ATOM 114 SG CYS A 11 -5.289 -8.342 -0.844 1.00 0.00 S ATOM 0 H CYS A 11 -3.464 -10.160 1.745 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.298 -10.282 -1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.662 -8.138 0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.992 -7.695 -0.657 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.272 -7.624 -1.928 1.00 0.00 H new ATOM 120 N LYS A 12 -0.888 -9.774 -1.505 1.00 0.00 N ATOM 121 CA LYS A 12 0.554 -9.656 -1.687 1.00 0.00 C ATOM 122 C LYS A 12 1.010 -8.212 -1.501 1.00 0.00 C ATOM 123 O LYS A 12 0.254 -7.264 -1.717 1.00 0.00 O ATOM 124 CB LYS A 12 0.956 -10.153 -3.077 1.00 0.00 C ATOM 125 CG LYS A 12 0.890 -11.663 -3.225 1.00 0.00 C ATOM 126 CD LYS A 12 2.161 -12.329 -2.724 1.00 0.00 C ATOM 127 CE LYS A 12 1.966 -13.825 -2.530 1.00 0.00 C ATOM 128 NZ LYS A 12 1.998 -14.561 -3.824 1.00 0.00 N ATOM 0 H LYS A 12 -1.408 -9.949 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 12 1.041 -10.273 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.304 -9.695 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.971 -9.819 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.034 -12.047 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.732 -11.920 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.969 -12.155 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.464 -11.875 -1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.746 -14.211 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.013 -14.006 -2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.862 -15.577 -3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.238 -14.211 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.917 -14.410 -4.287 1.00 0.00 H new ATOM 142 N PRO A 13 2.276 -8.039 -1.091 1.00 0.00 N ATOM 143 CA PRO A 13 2.861 -6.713 -0.869 1.00 0.00 C ATOM 144 C PRO A 13 3.073 -5.948 -2.171 1.00 0.00 C ATOM 145 O PRO A 13 3.557 -6.488 -3.165 1.00 0.00 O ATOM 146 CB PRO A 13 4.205 -7.025 -0.207 1.00 0.00 C ATOM 147 CG PRO A 13 4.544 -8.401 -0.667 1.00 0.00 C ATOM 148 CD PRO A 13 3.232 -9.122 -0.814 1.00 0.00 C ATOM 0 HA PRO A 13 2.212 -6.076 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.970 -6.308 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.132 -6.978 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.083 -8.374 -1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.188 -8.906 0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.262 -9.849 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.970 -9.667 0.093 1.00 0.00 H new ATOM 156 N PRO A 14 2.703 -4.658 -2.166 1.00 0.00 N ATOM 157 CA PRO A 14 2.845 -3.790 -3.339 1.00 0.00 C ATOM 158 C PRO A 14 4.303 -3.473 -3.653 1.00 0.00 C ATOM 159 O PRO A 14 5.178 -3.622 -2.799 1.00 0.00 O ATOM 160 CB PRO A 14 2.098 -2.518 -2.932 1.00 0.00 C ATOM 161 CG PRO A 14 2.153 -2.506 -1.443 1.00 0.00 C ATOM 162 CD PRO A 14 2.120 -3.947 -1.017 1.00 0.00 C ATOM 0 HA PRO A 14 2.455 -4.259 -4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.570 -1.630 -3.353 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.069 -2.532 -3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.060 -2.015 -1.090 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.310 -1.956 -1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.699 -4.110 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.103 -4.282 -0.812 1.00 0.00 H new ATOM 170 N GLN A 15 4.558 -3.035 -4.882 1.00 0.00 N ATOM 171 CA GLN A 15 5.911 -2.697 -5.307 1.00 0.00 C ATOM 172 C GLN A 15 6.143 -1.191 -5.239 1.00 0.00 C ATOM 173 O GLN A 15 5.508 -0.422 -5.960 1.00 0.00 O ATOM 174 CB GLN A 15 6.162 -3.200 -6.729 1.00 0.00 C ATOM 175 CG GLN A 15 7.605 -3.051 -7.182 1.00 0.00 C ATOM 176 CD GLN A 15 7.816 -3.495 -8.617 1.00 0.00 C ATOM 177 OE1 GLN A 15 7.395 -4.582 -9.010 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.471 -2.652 -9.407 1.00 0.00 N ATOM 0 H GLN A 15 3.846 -2.906 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 15 6.610 -3.185 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.878 -4.251 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.516 -2.655 -7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.908 -2.009 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.250 -3.636 -6.526 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.802 -1.761 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.643 -2.896 -10.382 1.00 0.00 H new ATOM 187 N VAL A 16 7.058 -0.777 -4.368 1.00 0.00 N ATOM 188 CA VAL A 16 7.375 0.637 -4.206 1.00 0.00 C ATOM 189 C VAL A 16 8.455 1.073 -5.188 1.00 0.00 C ATOM 190 O VAL A 16 9.363 0.307 -5.511 1.00 0.00 O ATOM 191 CB VAL A 16 7.844 0.946 -2.771 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.658 0.999 -1.820 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.862 -0.087 -2.311 1.00 0.00 C ATOM 0 H VAL A 16 7.593 -1.401 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 16 6.459 1.193 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 16 8.325 1.924 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.010 1.218 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.968 1.779 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.145 0.037 -1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.183 0.146 -1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.409 -1.078 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.725 -0.070 -2.977 1.00 0.00 H new ATOM 203 N THR A 17 8.351 2.312 -5.661 1.00 0.00 N ATOM 204 CA THR A 17 9.319 2.852 -6.607 1.00 0.00 C ATOM 205 C THR A 17 9.681 4.292 -6.263 1.00 0.00 C ATOM 206 O THR A 17 8.889 5.210 -6.481 1.00 0.00 O ATOM 207 CB THR A 17 8.782 2.801 -8.050 1.00 0.00 C ATOM 208 OG1 THR A 17 8.520 1.444 -8.427 1.00 0.00 O ATOM 209 CG2 THR A 17 9.778 3.419 -9.021 1.00 0.00 C ATOM 0 H THR A 17 7.606 2.960 -5.404 1.00 0.00 H new ATOM 0 HA THR A 17 10.211 2.230 -6.536 1.00 0.00 H new ATOM 0 HB THR A 17 7.856 3.375 -8.090 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.177 1.420 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.377 3.371 -10.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.954 4.460 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.718 2.869 -8.977 1.00 0.00 H new ATOM 217 N CYS A 18 10.880 4.483 -5.724 1.00 0.00 N ATOM 218 CA CYS A 18 11.346 5.814 -5.349 1.00 0.00 C ATOM 219 C CYS A 18 11.530 6.693 -6.582 1.00 0.00 C ATOM 220 O CYS A 18 12.486 6.526 -7.339 1.00 0.00 O ATOM 221 CB CYS A 18 12.662 5.717 -4.576 1.00 0.00 C ATOM 222 SG CYS A 18 13.990 4.889 -5.481 1.00 0.00 S ATOM 0 H CYS A 18 11.547 3.734 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 18 10.590 6.270 -4.710 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.990 6.722 -4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.484 5.182 -3.643 1.00 0.00 H new ATOM 0 HG CYS A 18 13.901 5.180 -6.745 1.00 0.00 H new ATOM 228 N ARG A 19 10.608 7.629 -6.777 1.00 0.00 N ATOM 229 CA ARG A 19 10.667 8.533 -7.920 1.00 0.00 C ATOM 230 C ARG A 19 11.658 9.665 -7.667 1.00 0.00 C ATOM 231 O ARG A 19 12.255 10.200 -8.601 1.00 0.00 O ATOM 232 CB ARG A 19 9.280 9.110 -8.213 1.00 0.00 C ATOM 233 CG ARG A 19 8.364 8.150 -8.954 1.00 0.00 C ATOM 234 CD ARG A 19 8.745 8.039 -10.423 1.00 0.00 C ATOM 235 NE ARG A 19 8.547 9.299 -11.135 1.00 0.00 N ATOM 236 CZ ARG A 19 9.484 10.234 -11.249 1.00 0.00 C ATOM 237 NH1 ARG A 19 10.677 10.052 -10.700 1.00 0.00 N ATOM 238 NH2 ARG A 19 9.229 11.354 -11.913 1.00 0.00 N ATOM 0 H ARG A 19 9.811 7.782 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 19 11.006 7.963 -8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.809 9.395 -7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.392 10.020 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.414 7.166 -8.489 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.332 8.491 -8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.789 7.736 -10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.148 7.258 -10.895 1.00 0.00 H new ATOM 0 HE ARG A 19 7.640 9.470 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.877 9.192 -10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.395 10.771 -10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.313 11.498 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.949 12.071 -12.000 1.00 0.00 H new ATOM 252 N SER A 20 11.826 10.025 -6.399 1.00 0.00 N ATOM 253 CA SER A 20 12.742 11.096 -6.023 1.00 0.00 C ATOM 254 C SER A 20 12.948 11.130 -4.512 1.00 0.00 C ATOM 255 O SER A 20 12.399 10.304 -3.781 1.00 0.00 O ATOM 256 CB SER A 20 12.207 12.445 -6.506 1.00 0.00 C ATOM 257 OG SER A 20 13.240 13.414 -6.560 1.00 0.00 O ATOM 0 H SER A 20 11.340 9.591 -5.614 1.00 0.00 H new ATOM 0 HA SER A 20 13.703 10.902 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.760 12.330 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.418 12.787 -5.837 1.00 0.00 H new ATOM 0 HG SER A 20 12.873 14.267 -6.873 1.00 0.00 H new ATOM 263 N ALA A 21 13.742 12.090 -4.050 1.00 0.00 N ATOM 264 CA ALA A 21 14.018 12.234 -2.627 1.00 0.00 C ATOM 265 C ALA A 21 12.728 12.389 -1.829 1.00 0.00 C ATOM 266 O ALA A 21 12.595 11.847 -0.731 1.00 0.00 O ATOM 267 CB ALA A 21 14.937 13.423 -2.385 1.00 0.00 C ATOM 0 H ALA A 21 14.206 12.780 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 21 14.517 11.327 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.135 13.519 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.877 13.271 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.459 14.333 -2.748 1.00 0.00 H new ATOM 273 N THR A 22 11.778 13.134 -2.387 1.00 0.00 N ATOM 274 CA THR A 22 10.499 13.362 -1.727 1.00 0.00 C ATOM 275 C THR A 22 9.342 12.865 -2.586 1.00 0.00 C ATOM 276 O THR A 22 8.243 13.418 -2.542 1.00 0.00 O ATOM 277 CB THR A 22 10.288 14.855 -1.415 1.00 0.00 C ATOM 278 OG1 THR A 22 10.251 15.610 -2.630 1.00 0.00 O ATOM 279 CG2 THR A 22 11.397 15.382 -0.517 1.00 0.00 C ATOM 0 H THR A 22 11.871 13.590 -3.295 1.00 0.00 H new ATOM 0 HA THR A 22 10.520 12.802 -0.792 1.00 0.00 H new ATOM 0 HB THR A 22 9.337 14.963 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.115 16.558 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.227 16.439 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.402 14.825 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.358 15.260 -1.016 1.00 0.00 H new ATOM 287 N CYS A 23 9.595 11.818 -3.363 1.00 0.00 N ATOM 288 CA CYS A 23 8.572 11.245 -4.232 1.00 0.00 C ATOM 289 C CYS A 23 8.635 9.722 -4.216 1.00 0.00 C ATOM 290 O CYS A 23 9.715 9.136 -4.135 1.00 0.00 O ATOM 291 CB CYS A 23 8.742 11.761 -5.662 1.00 0.00 C ATOM 292 SG CYS A 23 8.799 13.563 -5.796 1.00 0.00 S ATOM 0 H CYS A 23 10.499 11.348 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 23 7.596 11.553 -3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.660 11.347 -6.079 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.919 11.388 -6.271 1.00 0.00 H new ATOM 0 HG CYS A 23 8.947 13.901 -7.043 1.00 0.00 H new ATOM 298 N ALA A 24 7.471 9.086 -4.293 1.00 0.00 N ATOM 299 CA ALA A 24 7.394 7.630 -4.287 1.00 0.00 C ATOM 300 C ALA A 24 6.110 7.146 -4.951 1.00 0.00 C ATOM 301 O ALA A 24 5.157 7.908 -5.108 1.00 0.00 O ATOM 302 CB ALA A 24 7.487 7.102 -2.864 1.00 0.00 C ATOM 0 H ALA A 24 6.568 9.556 -4.360 1.00 0.00 H new ATOM 0 HA ALA A 24 8.236 7.244 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.428 6.014 -2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.435 7.410 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.664 7.504 -2.272 1.00 0.00 H new ATOM 308 N GLN A 25 6.093 5.875 -5.340 1.00 0.00 N ATOM 309 CA GLN A 25 4.924 5.291 -5.988 1.00 0.00 C ATOM 310 C GLN A 25 4.679 3.870 -5.489 1.00 0.00 C ATOM 311 O GLN A 25 5.621 3.118 -5.240 1.00 0.00 O ATOM 312 CB GLN A 25 5.106 5.287 -7.507 1.00 0.00 C ATOM 313 CG GLN A 25 3.849 4.901 -8.269 1.00 0.00 C ATOM 314 CD GLN A 25 4.000 5.072 -9.768 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.005 5.600 -10.247 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.001 4.624 -10.519 1.00 0.00 N ATOM 0 H GLN A 25 6.874 5.231 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 25 4.056 5.900 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.426 6.278 -7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.906 4.594 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.599 3.863 -8.049 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.015 5.510 -7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.187 4.193 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.048 4.711 -11.534 1.00 0.00 H new ATOM 325 N VAL A 26 3.408 3.509 -5.347 1.00 0.00 N ATOM 326 CA VAL A 26 3.038 2.179 -4.879 1.00 0.00 C ATOM 327 C VAL A 26 2.162 1.461 -5.901 1.00 0.00 C ATOM 328 O VAL A 26 1.373 2.087 -6.606 1.00 0.00 O ATOM 329 CB VAL A 26 2.290 2.244 -3.535 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.197 0.862 -2.907 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.976 3.221 -2.592 1.00 0.00 C ATOM 0 H VAL A 26 2.617 4.120 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 26 3.965 1.622 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 26 1.277 2.601 -3.720 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.665 0.929 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.659 0.193 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.200 0.473 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.435 3.255 -1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.000 2.895 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.985 4.214 -3.041 1.00 0.00 H new ATOM 341 N ASN A 27 2.309 0.142 -5.973 1.00 0.00 N ATOM 342 CA ASN A 27 1.531 -0.663 -6.909 1.00 0.00 C ATOM 343 C ASN A 27 1.183 -2.019 -6.302 1.00 0.00 C ATOM 344 O ASN A 27 2.065 -2.759 -5.867 1.00 0.00 O ATOM 345 CB ASN A 27 2.307 -0.859 -8.213 1.00 0.00 C ATOM 346 CG ASN A 27 2.315 0.389 -9.075 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.704 0.423 -10.143 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.010 1.422 -8.613 1.00 0.00 N ATOM 0 H ASN A 27 2.959 -0.392 -5.396 1.00 0.00 H new ATOM 0 HA ASN A 27 0.603 -0.132 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.333 -1.144 -7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.866 -1.682 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.053 2.289 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.501 1.349 -7.722 1.00 0.00 H new ATOM 355 N TRP A 28 -0.106 -2.335 -6.277 1.00 0.00 N ATOM 356 CA TRP A 28 -0.571 -3.603 -5.724 1.00 0.00 C ATOM 357 C TRP A 28 -1.339 -4.404 -6.768 1.00 0.00 C ATOM 358 O TRP A 28 -1.473 -3.976 -7.915 1.00 0.00 O ATOM 359 CB TRP A 28 -1.456 -3.355 -4.501 1.00 0.00 C ATOM 360 CG TRP A 28 -2.606 -2.433 -4.776 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.904 -2.788 -5.008 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.559 -1.005 -4.851 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.667 -1.666 -5.222 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.866 -0.558 -5.131 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.540 -0.057 -4.707 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.178 0.791 -5.270 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.852 1.282 -4.846 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.161 1.697 -5.123 1.00 0.00 C ATOM 0 H TRP A 28 -0.848 -1.732 -6.633 1.00 0.00 H new ATOM 0 HA TRP A 28 0.302 -4.181 -5.421 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.842 -4.309 -4.142 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.847 -2.936 -3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.276 -3.802 -5.021 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.668 -1.659 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.528 -0.366 -4.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.186 1.112 -5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.073 2.022 -4.739 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.372 2.751 -5.223 1.00 0.00 H new ATOM 379 N GLU A 29 -1.840 -5.567 -6.366 1.00 0.00 N ATOM 380 CA GLU A 29 -2.594 -6.427 -7.270 1.00 0.00 C ATOM 381 C GLU A 29 -3.665 -7.206 -6.513 1.00 0.00 C ATOM 382 O GLU A 29 -3.721 -7.173 -5.283 1.00 0.00 O ATOM 383 CB GLU A 29 -1.654 -7.398 -7.988 1.00 0.00 C ATOM 384 CG GLU A 29 -1.080 -8.474 -7.080 1.00 0.00 C ATOM 385 CD GLU A 29 -0.021 -9.313 -7.769 1.00 0.00 C ATOM 386 OE1 GLU A 29 1.083 -8.787 -8.019 1.00 0.00 O ATOM 387 OE2 GLU A 29 -0.297 -10.497 -8.055 1.00 0.00 O ATOM 0 H GLU A 29 -1.738 -5.936 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.084 -5.793 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.194 -7.875 -8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.834 -6.834 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.649 -8.006 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.886 -9.123 -6.737 1.00 0.00 H new ATOM 394 N VAL A 30 -4.516 -7.907 -7.255 1.00 0.00 N ATOM 395 CA VAL A 30 -5.587 -8.696 -6.655 1.00 0.00 C ATOM 396 C VAL A 30 -5.181 -10.159 -6.520 1.00 0.00 C ATOM 397 O VAL A 30 -4.612 -10.758 -7.433 1.00 0.00 O ATOM 398 CB VAL A 30 -6.882 -8.606 -7.485 1.00 0.00 C ATOM 399 CG1 VAL A 30 -7.970 -9.471 -6.867 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.339 -7.161 -7.603 1.00 0.00 C ATOM 0 H VAL A 30 -4.485 -7.945 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.771 -8.281 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.679 -8.980 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.878 -9.396 -7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.638 -10.509 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.175 -9.129 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.255 -7.116 -8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.527 -6.757 -6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.563 -6.573 -8.093 1.00 0.00 H new ATOM 410 N PRO A 31 -5.482 -10.751 -5.355 1.00 0.00 N ATOM 411 CA PRO A 31 -5.160 -12.153 -5.073 1.00 0.00 C ATOM 412 C PRO A 31 -6.006 -13.120 -5.895 1.00 0.00 C ATOM 413 O PRO A 31 -6.732 -12.709 -6.801 1.00 0.00 O ATOM 414 CB PRO A 31 -5.479 -12.297 -3.583 1.00 0.00 C ATOM 415 CG PRO A 31 -6.496 -11.244 -3.309 1.00 0.00 C ATOM 416 CD PRO A 31 -6.162 -10.098 -4.223 1.00 0.00 C ATOM 0 HA PRO A 31 -4.128 -12.393 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.866 -13.290 -3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.588 -12.155 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.503 -11.615 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.464 -10.933 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.058 -9.566 -4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.517 -9.368 -3.733 1.00 0.00 H new ATOM 424 N LEU A 32 -5.908 -14.405 -5.573 1.00 0.00 N ATOM 425 CA LEU A 32 -6.666 -15.430 -6.283 1.00 0.00 C ATOM 426 C LEU A 32 -8.089 -15.527 -5.743 1.00 0.00 C ATOM 427 O LEU A 32 -8.572 -16.615 -5.429 1.00 0.00 O ATOM 428 CB LEU A 32 -5.968 -16.786 -6.157 1.00 0.00 C ATOM 429 CG LEU A 32 -4.849 -17.060 -7.164 1.00 0.00 C ATOM 430 CD1 LEU A 32 -3.711 -16.069 -6.980 1.00 0.00 C ATOM 431 CD2 LEU A 32 -4.344 -18.488 -7.024 1.00 0.00 C ATOM 0 H LEU A 32 -5.312 -14.762 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.714 -15.148 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.553 -16.867 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.719 -17.570 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.252 -16.936 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.925 -16.279 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.083 -15.056 -7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.309 -16.160 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.549 -18.665 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.958 -18.640 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.163 -19.183 -7.208 1.00 0.00 H new ATOM 443 N SER A 33 -8.756 -14.382 -5.638 1.00 0.00 N ATOM 444 CA SER A 33 -10.123 -14.338 -5.134 1.00 0.00 C ATOM 445 C SER A 33 -10.941 -15.506 -5.676 1.00 0.00 C ATOM 446 O SER A 33 -11.341 -15.511 -6.839 1.00 0.00 O ATOM 447 CB SER A 33 -10.789 -13.013 -5.519 1.00 0.00 C ATOM 448 OG SER A 33 -12.166 -13.020 -5.188 1.00 0.00 O ATOM 0 H SER A 33 -8.372 -13.473 -5.895 1.00 0.00 H new ATOM 0 HA SER A 33 -10.085 -14.417 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.292 -12.190 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.670 -12.840 -6.588 1.00 0.00 H new ATOM 0 HG SER A 33 -12.626 -12.314 -5.688 1.00 0.00 H new ATOM 454 N ASN A 34 -11.183 -16.496 -4.823 1.00 0.00 N ATOM 455 CA ASN A 34 -11.953 -17.671 -5.215 1.00 0.00 C ATOM 456 C ASN A 34 -13.132 -17.280 -6.099 1.00 0.00 C ATOM 457 O ASN A 34 -13.335 -17.848 -7.171 1.00 0.00 O ATOM 458 CB ASN A 34 -12.453 -18.416 -3.976 1.00 0.00 C ATOM 459 CG ASN A 34 -13.280 -17.529 -3.065 1.00 0.00 C ATOM 460 OD1 ASN A 34 -14.473 -17.330 -3.290 1.00 0.00 O ATOM 461 ND2 ASN A 34 -12.647 -16.993 -2.027 1.00 0.00 N ATOM 0 H ASN A 34 -10.857 -16.508 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.298 -18.329 -5.786 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.052 -19.272 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.600 -18.808 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.152 -16.389 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.656 -17.185 -1.879 1.00 0.00 H new ATOM 468 N GLY A 35 -13.910 -16.303 -5.641 1.00 0.00 N ATOM 469 CA GLY A 35 -15.059 -15.851 -6.402 1.00 0.00 C ATOM 470 C GLY A 35 -15.720 -14.634 -5.786 1.00 0.00 C ATOM 471 O GLY A 35 -16.946 -14.518 -5.782 1.00 0.00 O ATOM 0 H GLY A 35 -13.764 -15.817 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -14.747 -15.615 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.786 -16.660 -6.471 1.00 0.00 H new ATOM 475 N THR A 36 -14.907 -13.722 -5.262 1.00 0.00 N ATOM 476 CA THR A 36 -15.419 -12.509 -4.639 1.00 0.00 C ATOM 477 C THR A 36 -14.869 -11.264 -5.325 1.00 0.00 C ATOM 478 O THR A 36 -13.755 -11.274 -5.851 1.00 0.00 O ATOM 479 CB THR A 36 -15.065 -12.454 -3.141 1.00 0.00 C ATOM 480 OG1 THR A 36 -13.718 -12.898 -2.940 1.00 0.00 O ATOM 481 CG2 THR A 36 -16.015 -13.320 -2.328 1.00 0.00 C ATOM 0 H THR A 36 -13.890 -13.801 -5.257 1.00 0.00 H new ATOM 0 HA THR A 36 -16.503 -12.532 -4.748 1.00 0.00 H new ATOM 0 HB THR A 36 -15.162 -11.422 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.198 -12.745 -3.756 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.745 -13.265 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.036 -12.963 -2.460 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.945 -14.354 -2.667 1.00 0.00 H new ATOM 489 N ASP A 37 -15.655 -10.193 -5.316 1.00 0.00 N ATOM 490 CA ASP A 37 -15.246 -8.938 -5.936 1.00 0.00 C ATOM 491 C ASP A 37 -14.750 -7.949 -4.886 1.00 0.00 C ATOM 492 O ASP A 37 -15.531 -7.439 -4.081 1.00 0.00 O ATOM 493 CB ASP A 37 -16.409 -8.330 -6.722 1.00 0.00 C ATOM 494 CG ASP A 37 -17.402 -7.618 -5.824 1.00 0.00 C ATOM 495 OD1 ASP A 37 -17.893 -8.250 -4.865 1.00 0.00 O ATOM 496 OD2 ASP A 37 -17.691 -6.430 -6.082 1.00 0.00 O ATOM 0 H ASP A 37 -16.580 -10.169 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.427 -9.150 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.019 -7.627 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.922 -9.117 -7.274 1.00 0.00 H new ATOM 501 N VAL A 38 -13.449 -7.682 -4.899 1.00 0.00 N ATOM 502 CA VAL A 38 -12.849 -6.754 -3.948 1.00 0.00 C ATOM 503 C VAL A 38 -13.512 -5.384 -4.024 1.00 0.00 C ATOM 504 O VAL A 38 -13.241 -4.600 -4.935 1.00 0.00 O ATOM 505 CB VAL A 38 -11.337 -6.595 -4.195 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.744 -5.572 -3.240 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.631 -7.936 -4.059 1.00 0.00 C ATOM 0 H VAL A 38 -12.789 -8.095 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.005 -7.175 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.189 -6.234 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.675 -5.474 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.230 -4.608 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.901 -5.900 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.564 -7.805 -4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.786 -8.329 -3.054 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.037 -8.637 -4.789 1.00 0.00 H new ATOM 517 N THR A 39 -14.385 -5.100 -3.062 1.00 0.00 N ATOM 518 CA THR A 39 -15.088 -3.823 -3.020 1.00 0.00 C ATOM 519 C THR A 39 -14.128 -2.659 -3.240 1.00 0.00 C ATOM 520 O THR A 39 -14.215 -1.952 -4.244 1.00 0.00 O ATOM 521 CB THR A 39 -15.816 -3.627 -1.677 1.00 0.00 C ATOM 522 OG1 THR A 39 -14.917 -3.873 -0.592 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.015 -4.559 -1.571 1.00 0.00 C ATOM 0 H THR A 39 -14.622 -5.737 -2.302 1.00 0.00 H new ATOM 0 HA THR A 39 -15.823 -3.840 -3.824 1.00 0.00 H new ATOM 0 HB THR A 39 -16.170 -2.597 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.387 -3.745 0.258 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.514 -4.403 -0.614 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.712 -4.349 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.679 -5.594 -1.640 1.00 0.00 H new ATOM 531 N GLU A 40 -13.214 -2.465 -2.295 1.00 0.00 N ATOM 532 CA GLU A 40 -12.239 -1.386 -2.386 1.00 0.00 C ATOM 533 C GLU A 40 -10.922 -1.784 -1.724 1.00 0.00 C ATOM 534 O GLU A 40 -10.837 -2.816 -1.059 1.00 0.00 O ATOM 535 CB GLU A 40 -12.788 -0.116 -1.732 1.00 0.00 C ATOM 536 CG GLU A 40 -12.780 -0.161 -0.213 1.00 0.00 C ATOM 537 CD GLU A 40 -13.864 0.702 0.400 1.00 0.00 C ATOM 538 OE1 GLU A 40 -13.683 1.937 0.448 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.895 0.145 0.834 1.00 0.00 O ATOM 0 H GLU A 40 -13.129 -3.041 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.050 -1.190 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.198 0.738 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.809 0.048 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.911 -1.192 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.808 0.170 0.152 1.00 0.00 H new ATOM 546 N TYR A 41 -9.899 -0.958 -1.912 1.00 0.00 N ATOM 547 CA TYR A 41 -8.586 -1.224 -1.336 1.00 0.00 C ATOM 548 C TYR A 41 -8.158 -0.092 -0.408 1.00 0.00 C ATOM 549 O TYR A 41 -8.068 1.064 -0.822 1.00 0.00 O ATOM 550 CB TYR A 41 -7.548 -1.411 -2.445 1.00 0.00 C ATOM 551 CG TYR A 41 -7.402 -2.845 -2.902 1.00 0.00 C ATOM 552 CD1 TYR A 41 -6.588 -3.735 -2.213 1.00 0.00 C ATOM 553 CD2 TYR A 41 -8.080 -3.309 -4.023 1.00 0.00 C ATOM 554 CE1 TYR A 41 -6.451 -5.046 -2.628 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.950 -4.618 -4.444 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.134 -5.482 -3.744 1.00 0.00 C ATOM 557 OH TYR A 41 -7.002 -6.788 -4.160 1.00 0.00 O ATOM 0 H TYR A 41 -9.953 -0.099 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.653 -2.142 -0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.825 -0.793 -3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.582 -1.051 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.053 -3.397 -1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.719 -2.635 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.813 -5.725 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.484 -4.963 -5.317 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.227 -7.195 -3.720 1.00 0.00 H new ATOM 567 N ARG A 42 -7.895 -0.433 0.849 1.00 0.00 N ATOM 568 CA ARG A 42 -7.477 0.555 1.837 1.00 0.00 C ATOM 569 C ARG A 42 -5.962 0.536 2.017 1.00 0.00 C ATOM 570 O ARG A 42 -5.414 -0.362 2.658 1.00 0.00 O ATOM 571 CB ARG A 42 -8.164 0.290 3.178 1.00 0.00 C ATOM 572 CG ARG A 42 -9.504 0.992 3.325 1.00 0.00 C ATOM 573 CD ARG A 42 -10.121 0.735 4.691 1.00 0.00 C ATOM 574 NE ARG A 42 -11.444 1.338 4.816 1.00 0.00 N ATOM 575 CZ ARG A 42 -11.644 2.614 5.128 1.00 0.00 C ATOM 576 NH1 ARG A 42 -10.611 3.416 5.346 1.00 0.00 N ATOM 577 NH2 ARG A 42 -12.879 3.090 5.223 1.00 0.00 N ATOM 0 H ARG A 42 -7.964 -1.385 1.208 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.771 1.540 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.311 -0.784 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.505 0.611 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.372 2.064 3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.184 0.647 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.195 -0.339 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.466 1.134 5.465 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.260 0.748 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.660 3.054 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.767 4.395 5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.676 2.476 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.031 4.070 5.463 1.00 0.00 H new ATOM 591 N LEU A 43 -5.291 1.530 1.448 1.00 0.00 N ATOM 592 CA LEU A 43 -3.838 1.628 1.546 1.00 0.00 C ATOM 593 C LEU A 43 -3.430 2.561 2.681 1.00 0.00 C ATOM 594 O LEU A 43 -3.761 3.746 2.671 1.00 0.00 O ATOM 595 CB LEU A 43 -3.251 2.127 0.224 1.00 0.00 C ATOM 596 CG LEU A 43 -1.727 2.244 0.168 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.087 0.866 0.139 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.300 3.059 -1.044 1.00 0.00 C ATOM 0 H LEU A 43 -5.729 2.280 0.914 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.445 0.634 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.573 1.454 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.679 3.106 0.006 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.387 2.760 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.003 0.969 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.366 0.316 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.432 0.323 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.213 3.132 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.651 2.571 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.730 4.059 -0.980 1.00 0.00 H new ATOM 610 N GLU A 44 -2.708 2.018 3.656 1.00 0.00 N ATOM 611 CA GLU A 44 -2.253 2.804 4.797 1.00 0.00 C ATOM 612 C GLU A 44 -0.801 3.235 4.617 1.00 0.00 C ATOM 613 O GLU A 44 0.040 2.450 4.178 1.00 0.00 O ATOM 614 CB GLU A 44 -2.402 1.999 6.090 1.00 0.00 C ATOM 615 CG GLU A 44 -3.838 1.882 6.574 1.00 0.00 C ATOM 616 CD GLU A 44 -3.932 1.503 8.039 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.905 2.417 8.890 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.032 0.295 8.334 1.00 0.00 O ATOM 0 H GLU A 44 -2.426 1.038 3.679 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.873 3.698 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.998 0.999 5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.802 2.467 6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.349 2.831 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.359 1.135 5.975 1.00 0.00 H new ATOM 625 N TRP A 45 -0.514 4.486 4.960 1.00 0.00 N ATOM 626 CA TRP A 45 0.836 5.021 4.836 1.00 0.00 C ATOM 627 C TRP A 45 1.095 6.095 5.888 1.00 0.00 C ATOM 628 O TRP A 45 0.278 6.994 6.083 1.00 0.00 O ATOM 629 CB TRP A 45 1.051 5.598 3.436 1.00 0.00 C ATOM 630 CG TRP A 45 2.446 6.096 3.207 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.089 7.082 3.899 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.370 5.632 2.215 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.356 7.259 3.398 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.553 6.381 2.364 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.312 4.656 1.217 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.667 6.183 1.553 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.417 4.461 0.412 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.582 5.222 0.584 1.00 0.00 C ATOM 0 H TRP A 45 -1.198 5.148 5.326 1.00 0.00 H new ATOM 0 HA TRP A 45 1.540 4.205 4.997 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.820 4.832 2.696 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.350 6.417 3.277 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.664 7.641 4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.039 7.934 3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.419 4.065 1.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.566 6.767 1.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.383 3.710 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.429 5.046 -0.062 1.00 0.00 H new ATOM 649 N GLY A 46 2.237 5.995 6.561 1.00 0.00 N ATOM 650 CA GLY A 46 2.581 6.964 7.584 1.00 0.00 C ATOM 651 C GLY A 46 4.074 7.215 7.667 1.00 0.00 C ATOM 652 O GLY A 46 4.542 8.318 7.389 1.00 0.00 O ATOM 0 H GLY A 46 2.930 5.260 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.069 7.904 7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.221 6.611 8.550 1.00 0.00 H new ATOM 656 N GLY A 47 4.824 6.187 8.051 1.00 0.00 N ATOM 657 CA GLY A 47 6.265 6.321 8.165 1.00 0.00 C ATOM 658 C GLY A 47 6.880 5.250 9.043 1.00 0.00 C ATOM 659 O GLY A 47 7.933 4.701 8.720 1.00 0.00 O ATOM 0 H GLY A 47 4.460 5.264 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.711 6.272 7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.504 7.303 8.574 1.00 0.00 H new ATOM 663 N VAL A 48 6.223 4.952 10.160 1.00 0.00 N ATOM 664 CA VAL A 48 6.711 3.940 11.088 1.00 0.00 C ATOM 665 C VAL A 48 5.721 2.789 11.216 1.00 0.00 C ATOM 666 O VAL A 48 4.574 2.984 11.619 1.00 0.00 O ATOM 667 CB VAL A 48 6.971 4.538 12.483 1.00 0.00 C ATOM 668 CG1 VAL A 48 7.041 3.437 13.530 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.248 5.363 12.480 1.00 0.00 C ATOM 0 H VAL A 48 5.351 5.398 10.444 1.00 0.00 H new ATOM 0 HA VAL A 48 7.650 3.563 10.682 1.00 0.00 H new ATOM 0 HB VAL A 48 6.141 5.197 12.737 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.225 3.878 14.510 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.097 2.892 13.549 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.851 2.751 13.283 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.416 5.778 13.474 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.090 4.728 12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.155 6.175 11.759 1.00 0.00 H new ATOM 679 N GLU A 49 6.172 1.586 10.872 1.00 0.00 N ATOM 680 CA GLU A 49 5.324 0.403 10.949 1.00 0.00 C ATOM 681 C GLU A 49 4.526 0.388 12.250 1.00 0.00 C ATOM 682 O GLU A 49 3.433 -0.174 12.313 1.00 0.00 O ATOM 683 CB GLU A 49 6.172 -0.867 10.845 1.00 0.00 C ATOM 684 CG GLU A 49 7.065 -1.104 12.051 1.00 0.00 C ATOM 685 CD GLU A 49 7.361 -2.573 12.278 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.403 -3.374 12.307 1.00 0.00 O ATOM 687 OE2 GLU A 49 8.551 -2.924 12.428 1.00 0.00 O ATOM 0 H GLU A 49 7.119 1.406 10.538 1.00 0.00 H new ATOM 0 HA GLU A 49 4.624 0.435 10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.512 -1.725 10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.792 -0.807 9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.003 -0.565 11.915 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.586 -0.692 12.939 1.00 0.00 H new ATOM 694 N GLY A 50 5.081 1.011 13.284 1.00 0.00 N ATOM 695 CA GLY A 50 4.409 1.057 14.570 1.00 0.00 C ATOM 696 C GLY A 50 3.159 1.915 14.539 1.00 0.00 C ATOM 697 O GLY A 50 2.151 1.577 15.158 1.00 0.00 O ATOM 0 H GLY A 50 5.984 1.485 13.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.144 0.045 14.875 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.095 1.447 15.322 1.00 0.00 H new ATOM 701 N SER A 51 3.226 3.030 13.818 1.00 0.00 N ATOM 702 CA SER A 51 2.093 3.942 13.714 1.00 0.00 C ATOM 703 C SER A 51 1.856 4.350 12.264 1.00 0.00 C ATOM 704 O SER A 51 2.743 4.900 11.610 1.00 0.00 O ATOM 705 CB SER A 51 2.330 5.185 14.574 1.00 0.00 C ATOM 706 OG SER A 51 1.418 6.217 14.242 1.00 0.00 O ATOM 0 H SER A 51 4.053 3.323 13.297 1.00 0.00 H new ATOM 0 HA SER A 51 1.206 3.423 14.077 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.224 4.927 15.628 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.351 5.539 14.433 1.00 0.00 H new ATOM 0 HG SER A 51 1.590 6.999 14.807 1.00 0.00 H new ATOM 712 N MET A 52 0.654 4.079 11.767 1.00 0.00 N ATOM 713 CA MET A 52 0.299 4.420 10.394 1.00 0.00 C ATOM 714 C MET A 52 -1.210 4.581 10.247 1.00 0.00 C ATOM 715 O MET A 52 -1.978 4.102 11.079 1.00 0.00 O ATOM 716 CB MET A 52 0.805 3.342 9.432 1.00 0.00 C ATOM 717 CG MET A 52 2.316 3.334 9.269 1.00 0.00 C ATOM 718 SD MET A 52 2.835 2.764 7.639 1.00 0.00 S ATOM 719 CE MET A 52 1.752 1.356 7.412 1.00 0.00 C ATOM 0 H MET A 52 -0.091 3.624 12.294 1.00 0.00 H new ATOM 0 HA MET A 52 0.773 5.370 10.147 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.481 2.365 9.791 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.343 3.492 8.456 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.701 4.340 9.438 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.757 2.692 10.032 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.202 0.662 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.604 0.853 8.368 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.790 1.695 7.028 1.00 0.00 H new ATOM 729 N GLN A 53 -1.626 5.261 9.183 1.00 0.00 N ATOM 730 CA GLN A 53 -3.045 5.487 8.929 1.00 0.00 C ATOM 731 C GLN A 53 -3.353 5.386 7.438 1.00 0.00 C ATOM 732 O GLN A 53 -2.458 5.161 6.623 1.00 0.00 O ATOM 733 CB GLN A 53 -3.468 6.858 9.458 1.00 0.00 C ATOM 734 CG GLN A 53 -2.794 8.019 8.744 1.00 0.00 C ATOM 735 CD GLN A 53 -1.362 8.229 9.193 1.00 0.00 C ATOM 736 OE1 GLN A 53 -1.181 8.538 10.472 1.00 0.00 O flip ATOM 737 NE2 GLN A 53 -0.427 8.115 8.400 1.00 0.00 N flip ATOM 0 H GLN A 53 -1.002 5.664 8.484 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.610 4.715 9.452 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.549 6.959 9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.239 6.914 10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.811 7.838 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.364 8.931 8.923 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.611 7.876 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.532 8.259 8.718 1.00 0.00 H new ATOM 746 N ILE A 54 -4.624 5.554 7.089 1.00 0.00 N ATOM 747 CA ILE A 54 -5.050 5.482 5.697 1.00 0.00 C ATOM 748 C ILE A 54 -4.585 6.708 4.917 1.00 0.00 C ATOM 749 O ILE A 54 -4.700 7.839 5.391 1.00 0.00 O ATOM 750 CB ILE A 54 -6.580 5.364 5.582 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.090 4.199 6.432 1.00 0.00 C ATOM 752 CG2 ILE A 54 -6.990 5.184 4.127 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.073 2.871 5.710 1.00 0.00 C ATOM 0 H ILE A 54 -5.377 5.741 7.751 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.593 4.588 5.272 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.029 6.285 5.955 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.479 4.122 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.108 4.414 6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.075 5.102 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.656 6.043 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.533 4.277 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.448 2.091 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.707 2.930 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.052 2.633 5.410 1.00 0.00 H new ATOM 765 N CYS A 55 -4.063 6.476 3.718 1.00 0.00 N ATOM 766 CA CYS A 55 -3.581 7.560 2.871 1.00 0.00 C ATOM 767 C CYS A 55 -4.380 7.632 1.573 1.00 0.00 C ATOM 768 O CYS A 55 -4.648 8.717 1.057 1.00 0.00 O ATOM 769 CB CYS A 55 -2.096 7.373 2.559 1.00 0.00 C ATOM 770 SG CYS A 55 -1.712 5.831 1.696 1.00 0.00 S ATOM 0 H CYS A 55 -3.963 5.546 3.311 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.715 8.496 3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.755 8.211 1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.533 7.405 3.492 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.559 4.912 2.053 1.00 0.00 H new ATOM 776 N TYR A 56 -4.755 6.470 1.051 1.00 0.00 N ATOM 777 CA TYR A 56 -5.520 6.400 -0.189 1.00 0.00 C ATOM 778 C TYR A 56 -6.562 5.288 -0.124 1.00 0.00 C ATOM 779 O TYR A 56 -6.307 4.214 0.421 1.00 0.00 O ATOM 780 CB TYR A 56 -4.584 6.170 -1.377 1.00 0.00 C ATOM 781 CG TYR A 56 -5.308 5.818 -2.657 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.636 4.502 -2.955 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.664 6.805 -3.570 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.296 4.176 -4.124 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.325 6.488 -4.741 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.639 5.173 -5.014 1.00 0.00 C ATOM 787 OH TYR A 56 -7.298 4.854 -6.179 1.00 0.00 O ATOM 0 H TYR A 56 -4.542 5.563 1.467 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.038 7.350 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.990 7.069 -1.541 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.888 5.368 -1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.370 3.719 -2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.420 7.836 -3.360 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.542 3.147 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.595 7.266 -5.439 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.467 5.671 -6.694 1.00 0.00 H new ATOM 797 N CYS A 57 -7.736 5.554 -0.685 1.00 0.00 N ATOM 798 CA CYS A 57 -8.819 4.576 -0.692 1.00 0.00 C ATOM 799 C CYS A 57 -9.502 4.532 -2.055 1.00 0.00 C ATOM 800 O CYS A 57 -9.831 5.569 -2.630 1.00 0.00 O ATOM 801 CB CYS A 57 -9.842 4.910 0.394 1.00 0.00 C ATOM 802 SG CYS A 57 -11.157 6.027 -0.147 1.00 0.00 S ATOM 0 H CYS A 57 -7.963 6.438 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.391 3.594 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.291 3.984 0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.323 5.360 1.240 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.065 6.216 -1.430 1.00 0.00 H new ATOM 808 N GLY A 58 -9.713 3.323 -2.567 1.00 0.00 N ATOM 809 CA GLY A 58 -10.353 3.166 -3.860 1.00 0.00 C ATOM 810 C GLY A 58 -10.036 1.832 -4.506 1.00 0.00 C ATOM 811 O GLY A 58 -9.114 1.125 -4.100 1.00 0.00 O ATOM 0 H GLY A 58 -9.452 2.450 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.432 3.261 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.032 3.971 -4.521 1.00 0.00 H new ATOM 815 N PRO A 59 -10.814 1.470 -5.537 1.00 0.00 N ATOM 816 CA PRO A 59 -10.631 0.209 -6.262 1.00 0.00 C ATOM 817 C PRO A 59 -9.354 0.200 -7.095 1.00 0.00 C ATOM 818 O PRO A 59 -8.933 -0.844 -7.592 1.00 0.00 O ATOM 819 CB PRO A 59 -11.862 0.140 -7.170 1.00 0.00 C ATOM 820 CG PRO A 59 -12.274 1.559 -7.358 1.00 0.00 C ATOM 821 CD PRO A 59 -11.932 2.263 -6.075 1.00 0.00 C ATOM 0 HA PRO A 59 -10.535 -0.640 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.625 -0.333 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.659 -0.446 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.750 2.009 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.341 1.631 -7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.642 3.299 -6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.779 2.281 -5.389 1.00 0.00 H new ATOM 829 N GLY A 60 -8.741 1.370 -7.244 1.00 0.00 N ATOM 830 CA GLY A 60 -7.518 1.474 -8.018 1.00 0.00 C ATOM 831 C GLY A 60 -6.530 0.372 -7.691 1.00 0.00 C ATOM 832 O GLY A 60 -6.659 -0.306 -6.671 1.00 0.00 O ATOM 0 H GLY A 60 -9.070 2.248 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.760 1.438 -9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.054 2.442 -7.830 1.00 0.00 H new ATOM 836 N LEU A 61 -5.541 0.191 -8.558 1.00 0.00 N ATOM 837 CA LEU A 61 -4.526 -0.839 -8.357 1.00 0.00 C ATOM 838 C LEU A 61 -3.141 -0.217 -8.211 1.00 0.00 C ATOM 839 O LEU A 61 -2.182 -0.895 -7.840 1.00 0.00 O ATOM 840 CB LEU A 61 -4.534 -1.825 -9.527 1.00 0.00 C ATOM 841 CG LEU A 61 -5.762 -2.730 -9.634 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.697 -3.570 -10.899 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.877 -3.620 -8.406 1.00 0.00 C ATOM 0 H LEU A 61 -5.419 0.743 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.763 -1.374 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.443 -1.259 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.648 -2.456 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.650 -2.100 -9.686 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.579 -4.208 -10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.664 -2.915 -11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.801 -4.191 -10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.756 -4.257 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.986 -4.242 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.971 -3.000 -7.515 1.00 0.00 H new ATOM 855 N SER A 62 -3.045 1.075 -8.502 1.00 0.00 N ATOM 856 CA SER A 62 -1.776 1.789 -8.404 1.00 0.00 C ATOM 857 C SER A 62 -1.997 3.230 -7.955 1.00 0.00 C ATOM 858 O SER A 62 -2.962 3.877 -8.359 1.00 0.00 O ATOM 859 CB SER A 62 -1.050 1.767 -9.750 1.00 0.00 C ATOM 860 OG SER A 62 -0.792 0.439 -10.169 1.00 0.00 O ATOM 0 H SER A 62 -3.830 1.650 -8.808 1.00 0.00 H new ATOM 0 HA SER A 62 -1.160 1.286 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.654 2.278 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.111 2.315 -9.669 1.00 0.00 H new ATOM 0 HG SER A 62 0.148 0.357 -10.435 1.00 0.00 H new ATOM 866 N TYR A 63 -1.093 3.727 -7.116 1.00 0.00 N ATOM 867 CA TYR A 63 -1.189 5.090 -6.609 1.00 0.00 C ATOM 868 C TYR A 63 0.194 5.722 -6.482 1.00 0.00 C ATOM 869 O TYR A 63 1.184 5.031 -6.247 1.00 0.00 O ATOM 870 CB TYR A 63 -1.896 5.104 -5.253 1.00 0.00 C ATOM 871 CG TYR A 63 -2.015 6.484 -4.647 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.843 7.445 -5.215 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.300 6.827 -3.506 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.955 8.708 -4.665 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.408 8.086 -2.948 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.236 9.023 -3.531 1.00 0.00 C ATOM 877 OH TYR A 63 -2.344 10.279 -2.980 1.00 0.00 O ATOM 0 H TYR A 63 -0.286 3.206 -6.773 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.772 5.675 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.893 4.680 -5.368 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.353 4.459 -4.563 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.409 7.201 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.649 6.097 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.601 9.444 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.847 8.336 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.774 10.338 -2.185 1.00 0.00 H new ATOM 887 N GLU A 64 0.250 7.042 -6.635 1.00 0.00 N ATOM 888 CA GLU A 64 1.511 7.767 -6.537 1.00 0.00 C ATOM 889 C GLU A 64 1.534 8.653 -5.295 1.00 0.00 C ATOM 890 O GLU A 64 0.627 9.456 -5.076 1.00 0.00 O ATOM 891 CB GLU A 64 1.734 8.619 -7.788 1.00 0.00 C ATOM 892 CG GLU A 64 3.176 9.056 -7.979 1.00 0.00 C ATOM 893 CD GLU A 64 3.359 9.958 -9.185 1.00 0.00 C ATOM 894 OE1 GLU A 64 3.592 9.429 -10.291 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.268 11.193 -9.021 1.00 0.00 O ATOM 0 H GLU A 64 -0.562 7.629 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 64 2.315 7.036 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.416 8.053 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.100 9.504 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.514 9.579 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.807 8.174 -8.091 1.00 0.00 H new ATOM 902 N ILE A 65 2.577 8.499 -4.485 1.00 0.00 N ATOM 903 CA ILE A 65 2.718 9.285 -3.266 1.00 0.00 C ATOM 904 C ILE A 65 3.839 10.311 -3.399 1.00 0.00 C ATOM 905 O ILE A 65 4.900 10.019 -3.952 1.00 0.00 O ATOM 906 CB ILE A 65 3.001 8.387 -2.047 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.731 7.646 -1.626 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.545 9.216 -0.894 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.993 6.467 -0.714 1.00 0.00 C ATOM 0 H ILE A 65 3.336 7.838 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 65 1.771 9.803 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 65 3.754 7.649 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.063 8.344 -1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.211 7.296 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.740 8.568 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.472 9.701 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.814 9.974 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.048 5.989 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.635 5.749 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.485 6.813 0.195 1.00 0.00 H new ATOM 921 N LYS A 66 3.596 11.512 -2.887 1.00 0.00 N ATOM 922 CA LYS A 66 4.586 12.582 -2.945 1.00 0.00 C ATOM 923 C LYS A 66 4.593 13.387 -1.649 1.00 0.00 C ATOM 924 O LYS A 66 3.798 13.135 -0.746 1.00 0.00 O ATOM 925 CB LYS A 66 4.299 13.507 -4.131 1.00 0.00 C ATOM 926 CG LYS A 66 4.628 12.888 -5.478 1.00 0.00 C ATOM 927 CD LYS A 66 4.439 13.884 -6.610 1.00 0.00 C ATOM 928 CE LYS A 66 5.545 14.928 -6.625 1.00 0.00 C ATOM 929 NZ LYS A 66 5.225 16.062 -7.536 1.00 0.00 N ATOM 0 H LYS A 66 2.723 11.770 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 66 5.568 12.128 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.246 13.786 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.874 14.425 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.658 12.532 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.991 12.020 -5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.424 13.355 -7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.473 14.378 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.701 15.307 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.479 14.463 -6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.003 16.752 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.101 15.705 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.347 16.522 -7.222 1.00 0.00 H new ATOM 943 N GLY A 67 5.498 14.359 -1.567 1.00 0.00 N ATOM 944 CA GLY A 67 5.591 15.187 -0.378 1.00 0.00 C ATOM 945 C GLY A 67 6.224 14.456 0.789 1.00 0.00 C ATOM 946 O GLY A 67 5.798 14.611 1.934 1.00 0.00 O ATOM 0 H GLY A 67 6.167 14.587 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.176 16.079 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.594 15.523 -0.094 1.00 0.00 H new ATOM 950 N LEU A 68 7.246 13.657 0.500 1.00 0.00 N ATOM 951 CA LEU A 68 7.940 12.898 1.535 1.00 0.00 C ATOM 952 C LEU A 68 9.263 13.562 1.903 1.00 0.00 C ATOM 953 O LEU A 68 9.633 14.589 1.334 1.00 0.00 O ATOM 954 CB LEU A 68 8.189 11.464 1.062 1.00 0.00 C ATOM 955 CG LEU A 68 7.009 10.763 0.392 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.484 9.554 -0.399 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.974 10.350 1.429 1.00 0.00 C ATOM 0 H LEU A 68 7.612 13.518 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 68 7.307 12.877 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.025 11.474 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.499 10.869 1.921 1.00 0.00 H new ATOM 0 HG LEU A 68 6.542 11.464 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.629 9.068 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.187 9.875 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.977 8.851 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.141 9.852 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.430 9.667 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.609 11.234 1.951 1.00 0.00 H new ATOM 969 N SER A 69 9.972 12.969 2.858 1.00 0.00 N ATOM 970 CA SER A 69 11.253 13.503 3.303 1.00 0.00 C ATOM 971 C SER A 69 12.394 12.560 2.932 1.00 0.00 C ATOM 972 O SER A 69 12.265 11.338 2.989 1.00 0.00 O ATOM 973 CB SER A 69 11.236 13.733 4.815 1.00 0.00 C ATOM 974 OG SER A 69 12.353 14.501 5.228 1.00 0.00 O ATOM 0 H SER A 69 9.680 12.118 3.339 1.00 0.00 H new ATOM 0 HA SER A 69 11.416 14.456 2.800 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.315 14.244 5.098 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.240 12.773 5.332 1.00 0.00 H new ATOM 0 HG SER A 69 12.317 14.635 6.198 1.00 0.00 H new ATOM 980 N PRO A 70 13.539 13.142 2.544 1.00 0.00 N ATOM 981 CA PRO A 70 14.726 12.373 2.157 1.00 0.00 C ATOM 982 C PRO A 70 15.372 11.668 3.345 1.00 0.00 C ATOM 983 O PRO A 70 15.208 12.085 4.490 1.00 0.00 O ATOM 984 CB PRO A 70 15.668 13.438 1.589 1.00 0.00 C ATOM 985 CG PRO A 70 15.248 14.706 2.249 1.00 0.00 C ATOM 986 CD PRO A 70 13.763 14.595 2.453 1.00 0.00 C ATOM 0 HA PRO A 70 14.485 11.578 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.709 13.203 1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.579 13.508 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.763 14.840 3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.493 15.568 1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.442 15.109 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.209 15.036 1.624 1.00 0.00 H new ATOM 994 N ALA A 71 16.108 10.598 3.062 1.00 0.00 N ATOM 995 CA ALA A 71 16.781 9.837 4.107 1.00 0.00 C ATOM 996 C ALA A 71 15.837 9.545 5.269 1.00 0.00 C ATOM 997 O ALA A 71 16.142 9.848 6.423 1.00 0.00 O ATOM 998 CB ALA A 71 18.010 10.589 4.599 1.00 0.00 C ATOM 0 H ALA A 71 16.253 10.239 2.118 1.00 0.00 H new ATOM 0 HA ALA A 71 17.097 8.884 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.503 10.009 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.700 10.741 3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.708 11.556 5.001 1.00 0.00 H new ATOM 1004 N THR A 72 14.688 8.954 4.957 1.00 0.00 N ATOM 1005 CA THR A 72 13.698 8.624 5.975 1.00 0.00 C ATOM 1006 C THR A 72 12.990 7.313 5.647 1.00 0.00 C ATOM 1007 O THR A 72 12.655 7.048 4.493 1.00 0.00 O ATOM 1008 CB THR A 72 12.646 9.740 6.120 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.290 10.983 6.419 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.647 9.403 7.217 1.00 0.00 C ATOM 0 H THR A 72 14.420 8.694 4.008 1.00 0.00 H new ATOM 0 HA THR A 72 14.236 8.519 6.917 1.00 0.00 H new ATOM 0 HB THR A 72 12.108 9.828 5.176 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.825 11.268 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.914 10.206 7.301 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.138 8.471 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.172 9.291 8.165 1.00 0.00 H new ATOM 1018 N THR A 73 12.765 6.495 6.672 1.00 0.00 N ATOM 1019 CA THR A 73 12.097 5.213 6.492 1.00 0.00 C ATOM 1020 C THR A 73 10.586 5.388 6.397 1.00 0.00 C ATOM 1021 O THR A 73 10.023 6.321 6.970 1.00 0.00 O ATOM 1022 CB THR A 73 12.421 4.245 7.647 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.792 4.383 8.033 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.145 2.806 7.241 1.00 0.00 C ATOM 0 H THR A 73 13.036 6.699 7.634 1.00 0.00 H new ATOM 0 HA THR A 73 12.469 4.790 5.558 1.00 0.00 H new ATOM 0 HB THR A 73 11.780 4.496 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.989 3.766 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.381 2.142 8.072 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.093 2.698 6.978 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.763 2.546 6.382 1.00 0.00 H new ATOM 1032 N TYR A 74 9.936 4.485 5.673 1.00 0.00 N ATOM 1033 CA TYR A 74 8.488 4.541 5.503 1.00 0.00 C ATOM 1034 C TYR A 74 7.894 3.138 5.429 1.00 0.00 C ATOM 1035 O TYR A 74 8.613 2.155 5.248 1.00 0.00 O ATOM 1036 CB TYR A 74 8.133 5.324 4.238 1.00 0.00 C ATOM 1037 CG TYR A 74 8.318 6.818 4.378 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.296 7.621 4.870 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.515 7.427 4.020 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.461 8.987 4.999 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.689 8.791 4.148 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.659 9.567 4.638 1.00 0.00 C ATOM 1043 OH TYR A 74 8.828 10.927 4.765 1.00 0.00 O ATOM 0 H TYR A 74 10.387 3.706 5.194 1.00 0.00 H new ATOM 0 HA TYR A 74 8.065 5.050 6.369 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.750 4.966 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.096 5.118 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.357 7.170 5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.323 6.823 3.635 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.656 9.597 5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.626 9.248 3.866 1.00 0.00 H new ATOM 0 HH TYR A 74 9.663 11.110 5.244 1.00 0.00 H new ATOM 1053 N TYR A 75 6.576 3.053 5.571 1.00 0.00 N ATOM 1054 CA TYR A 75 5.882 1.771 5.523 1.00 0.00 C ATOM 1055 C TYR A 75 4.480 1.932 4.946 1.00 0.00 C ATOM 1056 O TYR A 75 3.872 2.999 5.048 1.00 0.00 O ATOM 1057 CB TYR A 75 5.803 1.158 6.922 1.00 0.00 C ATOM 1058 CG TYR A 75 7.153 0.828 7.516 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.816 -0.345 7.176 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.767 1.689 8.418 1.00 0.00 C ATOM 1061 CE1 TYR A 75 9.050 -0.651 7.717 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.002 1.391 8.962 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.639 0.220 8.609 1.00 0.00 C ATOM 1064 OH TYR A 75 10.868 -0.080 9.149 1.00 0.00 O ATOM 0 H TYR A 75 5.966 3.857 5.720 1.00 0.00 H new ATOM 0 HA TYR A 75 6.448 1.104 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.284 1.851 7.584 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.203 0.249 6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.359 -1.029 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.271 2.606 8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.551 -1.568 7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.466 2.072 9.660 1.00 0.00 H new ATOM 0 HH TYR A 75 11.142 0.638 9.757 1.00 0.00 H new ATOM 1074 N CYS A 76 3.972 0.865 4.339 1.00 0.00 N ATOM 1075 CA CYS A 76 2.640 0.886 3.745 1.00 0.00 C ATOM 1076 C CYS A 76 2.068 -0.525 3.642 1.00 0.00 C ATOM 1077 O CYS A 76 2.796 -1.482 3.377 1.00 0.00 O ATOM 1078 CB CYS A 76 2.688 1.532 2.359 1.00 0.00 C ATOM 1079 SG CYS A 76 3.368 0.463 1.069 1.00 0.00 S ATOM 0 H CYS A 76 4.462 -0.025 4.245 1.00 0.00 H new ATOM 0 HA CYS A 76 1.990 1.476 4.391 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.679 1.830 2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.286 2.442 2.415 1.00 0.00 H new ATOM 0 HG CYS A 76 3.389 -0.767 1.491 1.00 0.00 H new ATOM 1085 N ARG A 77 0.762 -0.645 3.854 1.00 0.00 N ATOM 1086 CA ARG A 77 0.093 -1.939 3.788 1.00 0.00 C ATOM 1087 C ARG A 77 -1.214 -1.836 3.009 1.00 0.00 C ATOM 1088 O ARG A 77 -1.986 -0.893 3.190 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.182 -2.467 5.197 1.00 0.00 C ATOM 1090 CG ARG A 77 -1.085 -1.564 6.022 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.209 -2.057 7.455 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.137 -1.545 8.304 1.00 0.00 N ATOM 1093 CZ ARG A 77 -0.023 -1.833 9.596 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -0.910 -2.623 10.184 1.00 0.00 N ATOM 1095 NH2 ARG A 77 0.981 -1.328 10.302 1.00 0.00 N ATOM 0 H ARG A 77 0.146 0.138 4.073 1.00 0.00 H new ATOM 0 HA ARG A 77 0.752 -2.634 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.639 -3.454 5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.766 -2.593 5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.687 -0.549 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.073 -1.520 5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.172 -1.750 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.191 -3.147 7.466 1.00 0.00 H new ATOM 0 HE ARG A 77 0.562 -0.933 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.683 -3.012 9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.819 -2.842 11.176 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.665 -0.719 9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.069 -1.549 11.294 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.457 -2.812 2.139 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.671 -2.832 1.332 1.00 0.00 C ATOM 1111 C VAL A 78 -3.488 -4.091 1.600 1.00 0.00 C ATOM 1112 O VAL A 78 -2.935 -5.175 1.781 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.346 -2.754 -0.172 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.583 -3.992 -0.618 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.621 -2.582 -0.984 1.00 0.00 C ATOM 0 H VAL A 78 -0.829 -3.599 1.975 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.255 -1.956 1.616 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.712 -1.884 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.362 -3.919 -1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.651 -4.066 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.189 -4.879 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.373 -2.529 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.282 -3.431 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.123 -1.663 -0.682 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.808 -3.939 1.622 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.703 -5.065 1.867 1.00 0.00 C ATOM 1127 C GLN A 79 -6.907 -5.016 0.933 1.00 0.00 C ATOM 1128 O GLN A 79 -7.307 -3.947 0.475 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.171 -5.062 3.323 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.196 -3.982 3.631 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.801 -4.129 5.013 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.938 -4.810 5.092 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.253 -3.634 5.999 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.282 -3.048 1.473 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.152 -5.985 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.599 -6.036 3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.307 -4.927 3.973 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.723 -3.003 3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.990 -4.017 2.885 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.379 -3.118 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.673 -3.740 6.923 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.480 -6.183 0.654 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.640 -6.274 -0.224 1.00 0.00 C ATOM 1144 C ALA A 80 -9.924 -6.445 0.579 1.00 0.00 C ATOM 1145 O ALA A 80 -10.043 -7.363 1.392 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.471 -7.425 -1.204 1.00 0.00 C ATOM 0 H ALA A 80 -7.159 -7.078 1.024 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.714 -5.342 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.345 -7.481 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.579 -7.260 -1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.368 -8.360 -0.653 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.884 -5.556 0.347 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.161 -5.609 1.050 1.00 0.00 C ATOM 1154 C LEU A 81 -13.225 -6.288 0.196 1.00 0.00 C ATOM 1155 O LEU A 81 -13.363 -5.996 -0.992 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.618 -4.198 1.425 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.898 -3.553 2.612 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.632 -2.850 2.150 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.821 -2.578 3.328 1.00 0.00 C ATOM 0 H LEU A 81 -10.802 -4.790 -0.322 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.022 -6.194 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.492 -3.553 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.685 -4.230 1.646 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.617 -4.339 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.134 -2.397 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.964 -3.573 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.889 -2.074 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.293 -2.128 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.132 -1.796 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.699 -3.110 3.693 1.00 0.00 H new ATOM 1171 N SER A 82 -13.979 -7.197 0.809 1.00 0.00 N ATOM 1172 CA SER A 82 -15.030 -7.920 0.104 1.00 0.00 C ATOM 1173 C SER A 82 -16.409 -7.480 0.586 1.00 0.00 C ATOM 1174 O SER A 82 -16.533 -6.557 1.391 1.00 0.00 O ATOM 1175 CB SER A 82 -14.864 -9.428 0.304 1.00 0.00 C ATOM 1176 OG SER A 82 -14.588 -9.734 1.660 1.00 0.00 O ATOM 0 H SER A 82 -13.881 -7.449 1.792 1.00 0.00 H new ATOM 0 HA SER A 82 -14.945 -7.690 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.772 -9.942 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.055 -9.795 -0.327 1.00 0.00 H new ATOM 0 HG SER A 82 -14.800 -10.675 1.833 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.444 -8.148 0.086 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.815 -7.827 0.466 1.00 0.00 C ATOM 1184 C VAL A 83 -19.300 -8.732 1.593 1.00 0.00 C ATOM 1185 O VAL A 83 -20.427 -8.601 2.069 1.00 0.00 O ATOM 1186 CB VAL A 83 -19.774 -7.959 -0.733 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -19.689 -6.730 -1.623 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.469 -9.223 -1.522 1.00 0.00 C ATOM 0 H VAL A 83 -17.359 -8.914 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.815 -6.793 0.810 1.00 0.00 H new ATOM 0 HB VAL A 83 -20.794 -8.032 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.373 -6.842 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.962 -5.845 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.671 -6.621 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.156 -9.300 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.444 -9.183 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.588 -10.093 -0.876 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.439 -9.654 2.016 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.778 -10.581 3.089 1.00 0.00 C ATOM 1200 C VAL A 84 -17.826 -10.428 4.269 1.00 0.00 C ATOM 1201 O VAL A 84 -18.045 -10.999 5.336 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.742 -12.041 2.600 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.307 -12.535 2.499 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.556 -12.933 3.526 1.00 0.00 C ATOM 0 H VAL A 84 -17.502 -9.778 1.632 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.791 -10.337 3.410 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.187 -12.084 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.301 -13.568 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.757 -11.912 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.833 -12.479 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.520 -13.961 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.141 -12.887 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.591 -12.591 3.544 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.765 -9.649 4.070 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.795 -9.434 5.128 1.00 0.00 C ATOM 1216 C GLY A 85 -14.690 -8.482 4.714 1.00 0.00 C ATOM 1217 O GLY A 85 -14.955 -7.414 4.163 1.00 0.00 O ATOM 0 H GLY A 85 -16.561 -9.164 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.302 -9.037 6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.358 -10.390 5.417 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.447 -8.869 4.983 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.298 -8.042 4.635 1.00 0.00 C ATOM 1223 C ALA A 86 -10.995 -8.818 4.797 1.00 0.00 C ATOM 1224 O ALA A 86 -10.727 -9.385 5.855 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.276 -6.783 5.488 1.00 0.00 C ATOM 0 H ALA A 86 -13.210 -9.749 5.440 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.391 -7.755 3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.413 -6.175 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.189 -6.212 5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.210 -7.058 6.541 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.188 -8.836 3.740 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.923 -9.546 3.787 1.00 0.00 C ATOM 1233 C GLY A 87 -7.902 -8.855 4.669 1.00 0.00 C ATOM 1234 O GLY A 87 -7.981 -7.653 4.921 1.00 0.00 O ATOM 0 H GLY A 87 -10.387 -8.372 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.091 -10.558 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.523 -9.637 2.777 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.917 -9.625 5.156 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.858 -9.099 6.024 1.00 0.00 C ATOM 1240 C PRO A 88 -4.901 -8.176 5.277 1.00 0.00 C ATOM 1241 O PRO A 88 -4.911 -8.119 4.047 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.128 -10.360 6.493 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.387 -11.367 5.427 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.761 -11.065 4.897 1.00 0.00 C ATOM 0 HA PRO A 88 -6.259 -8.494 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.060 -10.177 6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.504 -10.699 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.640 -11.299 4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.337 -12.380 5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.841 -11.293 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.526 -11.650 5.407 1.00 0.00 H new ATOM 1252 N PHE A 89 -4.075 -7.456 6.028 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.112 -6.534 5.436 1.00 0.00 C ATOM 1254 C PHE A 89 -1.871 -7.281 4.953 1.00 0.00 C ATOM 1255 O PHE A 89 -1.298 -8.092 5.680 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.711 -5.462 6.451 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.616 -4.264 6.444 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.728 -3.468 5.315 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.358 -3.932 7.568 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.560 -2.365 5.306 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.191 -2.829 7.565 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.293 -2.046 6.433 1.00 0.00 C ATOM 0 H PHE A 89 -4.053 -7.493 7.047 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.584 -6.055 4.578 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.709 -5.900 7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.691 -5.139 6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.158 -3.713 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.284 -4.542 8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.637 -1.753 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.762 -2.580 8.448 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.945 -1.185 6.428 1.00 0.00 H new ATOM 1272 N SER A 90 -1.463 -7.002 3.719 1.00 0.00 N ATOM 1273 CA SER A 90 -0.294 -7.648 3.135 1.00 0.00 C ATOM 1274 C SER A 90 0.940 -7.425 4.003 1.00 0.00 C ATOM 1275 O SER A 90 0.863 -6.798 5.059 1.00 0.00 O ATOM 1276 CB SER A 90 -0.042 -7.116 1.723 1.00 0.00 C ATOM 1277 OG SER A 90 0.230 -5.726 1.744 1.00 0.00 O ATOM 0 H SER A 90 -1.925 -6.332 3.104 1.00 0.00 H new ATOM 0 HA SER A 90 -0.490 -8.719 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.798 -7.647 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.913 -7.310 1.097 1.00 0.00 H new ATOM 0 HG SER A 90 1.197 -5.581 1.683 1.00 0.00 H new ATOM 1283 N GLU A 91 2.077 -7.944 3.549 1.00 0.00 N ATOM 1284 CA GLU A 91 3.328 -7.802 4.284 1.00 0.00 C ATOM 1285 C GLU A 91 3.847 -6.369 4.205 1.00 0.00 C ATOM 1286 O GLU A 91 4.213 -5.888 3.132 1.00 0.00 O ATOM 1287 CB GLU A 91 4.381 -8.768 3.736 1.00 0.00 C ATOM 1288 CG GLU A 91 4.002 -10.231 3.890 1.00 0.00 C ATOM 1289 CD GLU A 91 5.112 -11.169 3.456 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.217 -11.089 4.033 1.00 0.00 O ATOM 1291 OE2 GLU A 91 4.875 -11.986 2.540 1.00 0.00 O ATOM 0 H GLU A 91 2.157 -8.466 2.676 1.00 0.00 H new ATOM 0 HA GLU A 91 3.134 -8.043 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.545 -8.553 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.327 -8.590 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.750 -10.430 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.108 -10.435 3.301 1.00 0.00 H new ATOM 1298 N VAL A 92 3.874 -5.692 5.348 1.00 0.00 N ATOM 1299 CA VAL A 92 4.348 -4.314 5.409 1.00 0.00 C ATOM 1300 C VAL A 92 5.589 -4.120 4.545 1.00 0.00 C ATOM 1301 O VAL A 92 6.602 -4.793 4.734 1.00 0.00 O ATOM 1302 CB VAL A 92 4.674 -3.896 6.855 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.518 -2.631 6.868 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.394 -3.700 7.654 1.00 0.00 C ATOM 0 H VAL A 92 3.573 -6.075 6.244 1.00 0.00 H new ATOM 0 HA VAL A 92 3.542 -3.686 5.029 1.00 0.00 H new ATOM 0 HB VAL A 92 5.250 -4.694 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.738 -2.351 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.451 -2.810 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.971 -1.823 6.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.643 -3.405 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.790 -2.921 7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.831 -4.633 7.674 1.00 0.00 H new ATOM 1314 N VAL A 93 5.501 -3.196 3.593 1.00 0.00 N ATOM 1315 CA VAL A 93 6.618 -2.912 2.698 1.00 0.00 C ATOM 1316 C VAL A 93 7.401 -1.690 3.168 1.00 0.00 C ATOM 1317 O VAL A 93 6.857 -0.592 3.263 1.00 0.00 O ATOM 1318 CB VAL A 93 6.134 -2.675 1.256 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.315 -2.409 0.334 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.321 -3.863 0.765 1.00 0.00 C ATOM 0 H VAL A 93 4.669 -2.632 3.421 1.00 0.00 H new ATOM 0 HA VAL A 93 7.269 -3.786 2.716 1.00 0.00 H new ATOM 0 HB VAL A 93 5.491 -1.795 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.954 -2.244 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.852 -1.525 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.986 -3.268 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.987 -3.678 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.939 -4.761 0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.454 -4.002 1.411 1.00 0.00 H new ATOM 1330 N ALA A 94 8.682 -1.892 3.459 1.00 0.00 N ATOM 1331 CA ALA A 94 9.540 -0.806 3.915 1.00 0.00 C ATOM 1332 C ALA A 94 10.272 -0.157 2.746 1.00 0.00 C ATOM 1333 O ALA A 94 10.582 -0.816 1.752 1.00 0.00 O ATOM 1334 CB ALA A 94 10.537 -1.319 4.944 1.00 0.00 C ATOM 0 H ALA A 94 9.148 -2.797 3.387 1.00 0.00 H new ATOM 0 HA ALA A 94 8.910 -0.049 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.172 -0.498 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.999 -1.731 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.155 -2.097 4.495 1.00 0.00 H new ATOM 1340 N CYS A 95 10.547 1.137 2.871 1.00 0.00 N ATOM 1341 CA CYS A 95 11.242 1.876 1.823 1.00 0.00 C ATOM 1342 C CYS A 95 11.860 3.154 2.378 1.00 0.00 C ATOM 1343 O CYS A 95 11.184 3.954 3.026 1.00 0.00 O ATOM 1344 CB CYS A 95 10.278 2.214 0.684 1.00 0.00 C ATOM 1345 SG CYS A 95 8.746 3.008 1.226 1.00 0.00 S ATOM 0 H CYS A 95 10.299 1.696 3.688 1.00 0.00 H new ATOM 0 HA CYS A 95 12.042 1.245 1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.784 2.870 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.030 1.298 0.148 1.00 0.00 H new ATOM 0 HG CYS A 95 7.997 3.257 0.193 1.00 0.00 H new ATOM 1351 N VAL A 96 13.151 3.341 2.121 1.00 0.00 N ATOM 1352 CA VAL A 96 13.862 4.522 2.596 1.00 0.00 C ATOM 1353 C VAL A 96 14.264 5.425 1.436 1.00 0.00 C ATOM 1354 O VAL A 96 15.011 5.018 0.546 1.00 0.00 O ATOM 1355 CB VAL A 96 15.124 4.136 3.391 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.833 5.379 3.906 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.764 3.204 4.539 1.00 0.00 C ATOM 0 H VAL A 96 13.726 2.690 1.586 1.00 0.00 H new ATOM 0 HA VAL A 96 13.178 5.060 3.252 1.00 0.00 H new ATOM 0 HB VAL A 96 15.806 3.609 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.722 5.086 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.125 6.007 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.162 5.937 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.666 2.941 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.063 3.704 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.304 2.299 4.142 1.00 0.00 H new ATOM 1367 N THR A 97 13.762 6.656 1.451 1.00 0.00 N ATOM 1368 CA THR A 97 14.068 7.618 0.399 1.00 0.00 C ATOM 1369 C THR A 97 15.512 8.096 0.494 1.00 0.00 C ATOM 1370 O THR A 97 16.101 8.161 1.574 1.00 0.00 O ATOM 1371 CB THR A 97 13.129 8.838 0.464 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.361 9.570 1.674 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.674 8.405 0.398 1.00 0.00 C ATOM 0 H THR A 97 13.142 7.010 2.180 1.00 0.00 H new ATOM 0 HA THR A 97 13.920 7.105 -0.551 1.00 0.00 H new ATOM 0 HB THR A 97 13.339 9.477 -0.393 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.629 10.206 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.030 9.283 0.446 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.494 7.874 -0.537 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.452 7.747 1.238 1.00 0.00 H new ATOM 1381 N PRO A 98 16.100 8.442 -0.662 1.00 0.00 N ATOM 1382 CA PRO A 98 17.483 8.921 -0.734 1.00 0.00 C ATOM 1383 C PRO A 98 17.647 10.309 -0.123 1.00 0.00 C ATOM 1384 O PRO A 98 16.739 11.139 -0.155 1.00 0.00 O ATOM 1385 CB PRO A 98 17.766 8.963 -2.238 1.00 0.00 C ATOM 1386 CG PRO A 98 16.426 9.125 -2.871 1.00 0.00 C ATOM 1387 CD PRO A 98 15.459 8.390 -1.986 1.00 0.00 C ATOM 0 HA PRO A 98 18.166 8.281 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.427 9.791 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 98 18.255 8.049 -2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.158 10.178 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.419 8.715 -3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.479 8.868 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.310 7.363 -2.320 1.00 0.00 H new ATOM 1395 N PRO A 99 18.834 10.568 0.446 1.00 0.00 N ATOM 1396 CA PRO A 99 19.146 11.855 1.074 1.00 0.00 C ATOM 1397 C PRO A 99 19.279 12.981 0.055 1.00 0.00 C ATOM 1398 O PRO A 99 19.914 12.816 -0.986 1.00 0.00 O ATOM 1399 CB PRO A 99 20.489 11.597 1.764 1.00 0.00 C ATOM 1400 CG PRO A 99 21.104 10.484 0.990 1.00 0.00 C ATOM 1401 CD PRO A 99 19.963 9.625 0.521 1.00 0.00 C ATOM 0 HA PRO A 99 18.357 12.178 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.120 12.486 1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.351 11.323 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.677 10.866 0.145 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.794 9.912 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.173 9.172 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.761 8.811 1.217 1.00 0.00 H new ATOM 1409 N SER A 100 18.676 14.125 0.361 1.00 0.00 N ATOM 1410 CA SER A 100 18.725 15.278 -0.530 1.00 0.00 C ATOM 1411 C SER A 100 19.747 16.300 -0.042 1.00 0.00 C ATOM 1412 O SER A 100 19.659 16.793 1.083 1.00 0.00 O ATOM 1413 CB SER A 100 17.345 15.929 -0.633 1.00 0.00 C ATOM 1414 OG SER A 100 17.229 16.695 -1.819 1.00 0.00 O ATOM 0 H SER A 100 18.147 14.278 1.220 1.00 0.00 H new ATOM 0 HA SER A 100 19.029 14.930 -1.517 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.574 15.159 -0.617 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.175 16.568 0.234 1.00 0.00 H new ATOM 0 HG SER A 100 16.337 17.099 -1.862 1.00 0.00 H new ATOM 1420 N SER A 101 20.717 16.613 -0.896 1.00 0.00 N ATOM 1421 CA SER A 101 21.758 17.574 -0.551 1.00 0.00 C ATOM 1422 C SER A 101 21.472 18.934 -1.180 1.00 0.00 C ATOM 1423 O SER A 101 21.397 19.948 -0.485 1.00 0.00 O ATOM 1424 CB SER A 101 23.124 17.064 -1.013 1.00 0.00 C ATOM 1425 OG SER A 101 24.174 17.759 -0.364 1.00 0.00 O ATOM 0 H SER A 101 20.803 16.215 -1.831 1.00 0.00 H new ATOM 0 HA SER A 101 21.767 17.689 0.533 1.00 0.00 H new ATOM 0 HB2 SER A 101 23.207 15.997 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.215 17.186 -2.092 1.00 0.00 H new ATOM 0 HG SER A 101 25.037 17.413 -0.675 1.00 0.00 H new ATOM 1431 N GLY A 102 21.313 18.948 -2.500 1.00 0.00 N ATOM 1432 CA GLY A 102 21.037 20.188 -3.201 1.00 0.00 C ATOM 1433 C GLY A 102 20.944 19.998 -4.702 1.00 0.00 C ATOM 1434 O GLY A 102 21.169 18.907 -5.226 1.00 0.00 O ATOM 0 H GLY A 102 21.370 18.122 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 102 20.102 20.609 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 102 21.822 20.910 -2.977 1.00 0.00 H new ATOM 1438 N PRO A 103 20.604 21.079 -5.419 1.00 0.00 N ATOM 1439 CA PRO A 103 20.473 21.051 -6.879 1.00 0.00 C ATOM 1440 C PRO A 103 21.818 20.888 -7.578 1.00 0.00 C ATOM 1441 O PRO A 103 22.525 21.867 -7.819 1.00 0.00 O ATOM 1442 CB PRO A 103 19.861 22.415 -7.207 1.00 0.00 C ATOM 1443 CG PRO A 103 20.271 23.295 -6.077 1.00 0.00 C ATOM 1444 CD PRO A 103 20.321 22.412 -4.862 1.00 0.00 C ATOM 0 HA PRO A 103 19.872 20.207 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 103 20.230 22.796 -8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.776 22.353 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 103 21.243 23.750 -6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 103 19.560 24.109 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 103 21.098 22.730 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 103 19.378 22.427 -4.316 1.00 0.00 H new ATOM 1452 N SER A 104 22.164 19.646 -7.904 1.00 0.00 N ATOM 1453 CA SER A 104 23.426 19.356 -8.573 1.00 0.00 C ATOM 1454 C SER A 104 23.539 20.131 -9.883 1.00 0.00 C ATOM 1455 O SER A 104 22.571 20.243 -10.635 1.00 0.00 O ATOM 1456 CB SER A 104 23.551 17.856 -8.844 1.00 0.00 C ATOM 1457 OG SER A 104 24.911 17.460 -8.909 1.00 0.00 O ATOM 0 H SER A 104 21.588 18.826 -7.716 1.00 0.00 H new ATOM 0 HA SER A 104 24.237 19.669 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 104 23.044 17.298 -8.057 1.00 0.00 H new ATOM 0 HB3 SER A 104 23.052 17.610 -9.781 1.00 0.00 H new ATOM 0 HG SER A 104 24.963 16.497 -9.081 1.00 0.00 H new ATOM 1463 N SER A 105 24.726 20.666 -10.147 1.00 0.00 N ATOM 1464 CA SER A 105 24.965 21.435 -11.364 1.00 0.00 C ATOM 1465 C SER A 105 25.459 20.531 -12.489 1.00 0.00 C ATOM 1466 O SER A 105 26.537 19.944 -12.402 1.00 0.00 O ATOM 1467 CB SER A 105 25.985 22.543 -11.099 1.00 0.00 C ATOM 1468 OG SER A 105 27.209 22.009 -10.624 1.00 0.00 O ATOM 0 H SER A 105 25.538 20.582 -9.535 1.00 0.00 H new ATOM 0 HA SER A 105 24.021 21.886 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 105 26.162 23.105 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.583 23.244 -10.368 1.00 0.00 H new ATOM 0 HG SER A 105 27.421 21.189 -11.117 1.00 0.00 H new ATOM 1474 N GLY A 106 24.661 20.424 -13.547 1.00 0.00 N ATOM 1475 CA GLY A 106 25.033 19.591 -14.675 1.00 0.00 C ATOM 1476 C GLY A 106 24.065 19.718 -15.835 1.00 0.00 C ATOM 1477 O GLY A 106 24.362 20.376 -16.832 1.00 0.00 O ATOM 0 H GLY A 106 23.764 20.899 -13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 106 26.034 19.864 -15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 106 25.077 18.550 -14.355 1.00 0.00 H new TER 1481 GLY A 106