USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 716 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 29 SER OG : rot 180:sc= -0.01 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.0173 USER MOD Set 2.1: A 45 THR OG1 : rot 12:sc= 0.599 USER MOD Set 2.2: A 74 THR OG1 : rot -150:sc= -0.149 USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0 (180deg=-0.00332) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0049 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 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -3.01! C(o=-3!,f=-6.9!) USER MOD Single : A 15 LYS NZ :NH3+ 140:sc= 0.0415 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 50:sc= -0.138 USER MOD Single : A 25 THR OG1 : rot 40:sc= 0.102 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.506) USER MOD Single : A 31 SER OG : rot 176:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.5!) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= -1.3 (180deg=-1.64) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= -3.36! (180deg=-5.5!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -53:sc= 0.288 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.807 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.738 X(o=-0.74,f=-0.74) USER MOD Single : A 84 GLN : amide:sc= -1.77! C(o=-1.8!,f=-1.6!) USER MOD Single : A 85 SER OG : rot -170:sc= -0.491 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 130:sc= 0.288 USER MOD Single : A 88 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 90 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ 137:sc= 1.12 (180deg=0.0686) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.744 12.581 4.025 1.00 0.00 N ATOM 2 CA GLY A 1 28.792 11.864 4.727 1.00 0.00 C ATOM 3 C GLY A 1 28.258 10.692 5.526 1.00 0.00 C ATOM 4 O GLY A 1 28.824 9.600 5.492 1.00 0.00 O ATOM 0 H1 GLY A 1 28.164 13.352 3.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.242 11.928 3.390 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.074 12.978 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.527 11.504 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.311 12.550 5.397 1.00 0.00 H new ATOM 8 N SER A 2 27.167 10.919 6.249 1.00 0.00 N ATOM 9 CA SER A 2 26.560 9.875 7.066 1.00 0.00 C ATOM 10 C SER A 2 26.155 8.680 6.207 1.00 0.00 C ATOM 11 O SER A 2 26.179 8.749 4.978 1.00 0.00 O ATOM 12 CB SER A 2 25.338 10.422 7.806 1.00 0.00 C ATOM 13 OG SER A 2 24.529 11.205 6.946 1.00 0.00 O ATOM 0 H SER A 2 26.685 11.817 6.286 1.00 0.00 H new ATOM 0 HA SER A 2 27.299 9.543 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.752 9.595 8.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.662 11.025 8.654 1.00 0.00 H new ATOM 0 HG SER A 2 23.754 11.541 7.442 1.00 0.00 H new ATOM 19 N SER A 3 25.784 7.586 6.863 1.00 0.00 N ATOM 20 CA SER A 3 25.377 6.374 6.161 1.00 0.00 C ATOM 21 C SER A 3 24.252 6.670 5.174 1.00 0.00 C ATOM 22 O SER A 3 24.165 6.055 4.112 1.00 0.00 O ATOM 23 CB SER A 3 24.927 5.307 7.161 1.00 0.00 C ATOM 24 OG SER A 3 23.930 5.812 8.031 1.00 0.00 O ATOM 0 H SER A 3 25.757 7.513 7.880 1.00 0.00 H new ATOM 0 HA SER A 3 26.236 6.000 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.541 4.441 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.783 4.966 7.743 1.00 0.00 H new ATOM 0 HG SER A 3 23.658 5.111 8.659 1.00 0.00 H new ATOM 30 N GLY A 4 23.390 7.617 5.535 1.00 0.00 N ATOM 31 CA GLY A 4 22.281 7.978 4.671 1.00 0.00 C ATOM 32 C GLY A 4 21.225 8.790 5.394 1.00 0.00 C ATOM 33 O GLY A 4 21.371 9.099 6.577 1.00 0.00 O ATOM 0 H GLY A 4 23.440 8.140 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.657 8.549 3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.827 7.072 4.270 1.00 0.00 H new ATOM 37 N SER A 5 20.158 9.138 4.682 1.00 0.00 N ATOM 38 CA SER A 5 19.075 9.923 5.261 1.00 0.00 C ATOM 39 C SER A 5 18.249 9.080 6.229 1.00 0.00 C ATOM 40 O SER A 5 18.301 7.851 6.198 1.00 0.00 O ATOM 41 CB SER A 5 18.174 10.482 4.158 1.00 0.00 C ATOM 42 OG SER A 5 18.742 11.642 3.575 1.00 0.00 O ATOM 0 H SER A 5 20.021 8.888 3.703 1.00 0.00 H new ATOM 0 HA SER A 5 19.517 10.752 5.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.020 9.723 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.194 10.721 4.571 1.00 0.00 H new ATOM 0 HG SER A 5 18.148 11.979 2.872 1.00 0.00 H new ATOM 48 N SER A 6 17.488 9.751 7.087 1.00 0.00 N ATOM 49 CA SER A 6 16.654 9.065 8.067 1.00 0.00 C ATOM 50 C SER A 6 15.443 8.424 7.396 1.00 0.00 C ATOM 51 O SER A 6 14.749 9.060 6.604 1.00 0.00 O ATOM 52 CB SER A 6 16.193 10.043 9.150 1.00 0.00 C ATOM 53 OG SER A 6 17.300 10.611 9.828 1.00 0.00 O ATOM 0 H SER A 6 17.432 10.769 7.124 1.00 0.00 H new ATOM 0 HA SER A 6 17.251 8.278 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.594 10.834 8.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.552 9.525 9.863 1.00 0.00 H new ATOM 0 HG SER A 6 16.979 11.233 10.514 1.00 0.00 H new ATOM 59 N GLY A 7 15.196 7.158 7.720 1.00 0.00 N ATOM 60 CA GLY A 7 14.069 6.451 7.140 1.00 0.00 C ATOM 61 C GLY A 7 14.403 5.013 6.795 1.00 0.00 C ATOM 62 O GLY A 7 15.566 4.675 6.577 1.00 0.00 O ATOM 0 H GLY A 7 15.756 6.610 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.233 6.469 7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.742 6.971 6.240 1.00 0.00 H new ATOM 66 N GLN A 8 13.380 4.165 6.746 1.00 0.00 N ATOM 67 CA GLN A 8 13.572 2.756 6.427 1.00 0.00 C ATOM 68 C GLN A 8 12.712 2.345 5.236 1.00 0.00 C ATOM 69 O GLN A 8 13.229 2.003 4.173 1.00 0.00 O ATOM 70 CB GLN A 8 13.234 1.886 7.639 1.00 0.00 C ATOM 71 CG GLN A 8 14.306 1.903 8.717 1.00 0.00 C ATOM 72 CD GLN A 8 14.217 3.126 9.609 1.00 0.00 C ATOM 73 OE1 GLN A 8 14.662 4.213 9.237 1.00 0.00 O ATOM 74 NE2 GLN A 8 13.642 2.956 10.793 1.00 0.00 N ATOM 0 H GLN A 8 12.411 4.430 6.923 1.00 0.00 H new ATOM 0 HA GLN A 8 14.619 2.609 6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.292 2.227 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 8 13.080 0.859 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.216 1.005 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.289 1.871 8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.287 2.038 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.555 3.743 11.435 1.00 0.00 H new ATOM 83 N ALA A 9 11.397 2.381 5.422 1.00 0.00 N ATOM 84 CA ALA A 9 10.465 2.014 4.363 1.00 0.00 C ATOM 85 C ALA A 9 9.316 3.011 4.273 1.00 0.00 C ATOM 86 O ALA A 9 8.757 3.423 5.290 1.00 0.00 O ATOM 87 CB ALA A 9 9.930 0.608 4.594 1.00 0.00 C ATOM 0 H ALA A 9 10.953 2.661 6.297 1.00 0.00 H new ATOM 0 HA ALA A 9 11.004 2.035 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.235 0.347 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.759 -0.100 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.412 0.569 5.552 1.00 0.00 H new ATOM 93 N ASP A 10 8.967 3.397 3.050 1.00 0.00 N ATOM 94 CA ASP A 10 7.883 4.347 2.828 1.00 0.00 C ATOM 95 C ASP A 10 6.746 3.699 2.044 1.00 0.00 C ATOM 96 O ASP A 10 6.882 3.414 0.855 1.00 0.00 O ATOM 97 CB ASP A 10 8.400 5.576 2.079 1.00 0.00 C ATOM 98 CG ASP A 10 8.912 6.652 3.016 1.00 0.00 C ATOM 99 OD1 ASP A 10 8.333 6.809 4.111 1.00 0.00 O ATOM 100 OD2 ASP A 10 9.892 7.337 2.655 1.00 0.00 O ATOM 0 H ASP A 10 9.419 3.066 2.198 1.00 0.00 H new ATOM 0 HA ASP A 10 7.499 4.658 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.201 5.276 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.600 5.986 1.463 1.00 0.00 H new ATOM 105 N ALA A 11 5.625 3.469 2.719 1.00 0.00 N ATOM 106 CA ALA A 11 4.464 2.856 2.086 1.00 0.00 C ATOM 107 C ALA A 11 3.510 3.916 1.546 1.00 0.00 C ATOM 108 O ALA A 11 2.307 3.683 1.433 1.00 0.00 O ATOM 109 CB ALA A 11 3.743 1.948 3.072 1.00 0.00 C ATOM 0 H ALA A 11 5.496 3.698 3.705 1.00 0.00 H new ATOM 0 HA ALA A 11 4.814 2.257 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.878 1.497 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.421 1.163 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.413 2.533 3.931 1.00 0.00 H new ATOM 115 N GLY A 12 4.055 5.083 1.214 1.00 0.00 N ATOM 116 CA GLY A 12 3.237 6.161 0.691 1.00 0.00 C ATOM 117 C GLY A 12 2.439 6.862 1.773 1.00 0.00 C ATOM 118 O GLY A 12 2.218 6.323 2.858 1.00 0.00 O ATOM 0 H GLY A 12 5.048 5.300 1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.876 6.886 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.554 5.763 -0.060 1.00 0.00 H new ATOM 122 N PRO A 13 1.994 8.093 1.482 1.00 0.00 N ATOM 123 CA PRO A 13 1.210 8.895 2.426 1.00 0.00 C ATOM 124 C PRO A 13 -0.191 8.333 2.641 1.00 0.00 C ATOM 125 O PRO A 13 -0.614 7.411 1.943 1.00 0.00 O ATOM 126 CB PRO A 13 1.138 10.267 1.751 1.00 0.00 C ATOM 127 CG PRO A 13 1.301 9.984 0.298 1.00 0.00 C ATOM 128 CD PRO A 13 2.220 8.797 0.208 1.00 0.00 C ATOM 0 HA PRO A 13 1.663 8.915 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.187 10.759 1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.923 10.929 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.339 9.769 -0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.722 10.844 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.979 8.166 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.261 9.102 0.096 1.00 0.00 H new ATOM 136 N ASP A 14 -0.906 8.894 3.610 1.00 0.00 N ATOM 137 CA ASP A 14 -2.261 8.449 3.915 1.00 0.00 C ATOM 138 C ASP A 14 -3.079 8.283 2.638 1.00 0.00 C ATOM 139 O ASP A 14 -2.952 9.069 1.700 1.00 0.00 O ATOM 140 CB ASP A 14 -2.949 9.445 4.851 1.00 0.00 C ATOM 141 CG ASP A 14 -3.648 10.559 4.097 1.00 0.00 C ATOM 142 OD1 ASP A 14 -4.750 10.314 3.563 1.00 0.00 O ATOM 143 OD2 ASP A 14 -3.093 11.676 4.042 1.00 0.00 O ATOM 0 H ASP A 14 -0.570 9.657 4.197 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.196 7.481 4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.675 8.917 5.469 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.209 9.875 5.526 1.00 0.00 H new ATOM 148 N LYS A 15 -3.919 7.253 2.610 1.00 0.00 N ATOM 149 CA LYS A 15 -4.759 6.982 1.449 1.00 0.00 C ATOM 150 C LYS A 15 -6.225 7.265 1.761 1.00 0.00 C ATOM 151 O LYS A 15 -6.815 6.632 2.636 1.00 0.00 O ATOM 152 CB LYS A 15 -4.592 5.528 1.002 1.00 0.00 C ATOM 153 CG LYS A 15 -3.297 5.267 0.252 1.00 0.00 C ATOM 154 CD LYS A 15 -3.452 5.527 -1.237 1.00 0.00 C ATOM 155 CE LYS A 15 -2.118 5.861 -1.886 1.00 0.00 C ATOM 156 NZ LYS A 15 -2.275 6.224 -3.321 1.00 0.00 N ATOM 0 H LYS A 15 -4.036 6.592 3.378 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.444 7.642 0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.632 4.881 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.433 5.254 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.509 5.904 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.985 4.235 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.882 4.648 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.150 6.350 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.651 6.688 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.448 5.006 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.643 7.018 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.032 5.406 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.260 6.503 -3.503 1.00 0.00 H new ATOM 170 N GLU A 16 -6.806 8.217 1.039 1.00 0.00 N ATOM 171 CA GLU A 16 -8.204 8.582 1.239 1.00 0.00 C ATOM 172 C GLU A 16 -9.013 8.356 -0.035 1.00 0.00 C ATOM 173 O GLU A 16 -8.957 9.157 -0.969 1.00 0.00 O ATOM 174 CB GLU A 16 -8.316 10.044 1.675 1.00 0.00 C ATOM 175 CG GLU A 16 -9.520 10.326 2.558 1.00 0.00 C ATOM 176 CD GLU A 16 -9.860 11.802 2.628 1.00 0.00 C ATOM 177 OE1 GLU A 16 -9.872 12.459 1.566 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.113 12.299 3.745 1.00 0.00 O ATOM 0 H GLU A 16 -6.331 8.750 0.310 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.610 7.945 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.409 10.325 2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.371 10.676 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.381 9.776 2.178 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.323 9.954 3.564 1.00 0.00 H new ATOM 185 N LEU A 17 -9.764 7.261 -0.066 1.00 0.00 N ATOM 186 CA LEU A 17 -10.585 6.928 -1.225 1.00 0.00 C ATOM 187 C LEU A 17 -12.045 7.300 -0.983 1.00 0.00 C ATOM 188 O LEU A 17 -12.508 7.336 0.157 1.00 0.00 O ATOM 189 CB LEU A 17 -10.473 5.436 -1.543 1.00 0.00 C ATOM 190 CG LEU A 17 -9.055 4.893 -1.723 1.00 0.00 C ATOM 191 CD1 LEU A 17 -9.028 3.388 -1.505 1.00 0.00 C ATOM 192 CD2 LEU A 17 -8.522 5.243 -3.105 1.00 0.00 C ATOM 0 H LEU A 17 -9.822 6.588 0.698 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.219 7.503 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.956 4.877 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.036 5.236 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.410 5.359 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.011 3.019 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.368 3.161 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.686 2.904 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.512 4.849 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.168 4.805 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.504 6.326 -3.224 1.00 0.00 H new ATOM 204 N THR A 18 -12.767 7.575 -2.065 1.00 0.00 N ATOM 205 CA THR A 18 -14.174 7.943 -1.971 1.00 0.00 C ATOM 206 C THR A 18 -14.990 7.282 -3.075 1.00 0.00 C ATOM 207 O THR A 18 -14.816 7.584 -4.257 1.00 0.00 O ATOM 208 CB THR A 18 -14.362 9.470 -2.054 1.00 0.00 C ATOM 209 OG1 THR A 18 -13.514 10.121 -1.102 1.00 0.00 O ATOM 210 CG2 THR A 18 -15.811 9.852 -1.794 1.00 0.00 C ATOM 0 H THR A 18 -12.400 7.550 -3.016 1.00 0.00 H new ATOM 0 HA THR A 18 -14.528 7.593 -1.002 1.00 0.00 H new ATOM 0 HB THR A 18 -14.093 9.792 -3.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.639 11.091 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 18 -15.919 10.935 -1.858 1.00 0.00 H new ATOM 0 HG22 THR A 18 -16.451 9.379 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 18 -16.103 9.516 -0.799 1.00 0.00 H new ATOM 218 N LEU A 19 -15.881 6.377 -2.685 1.00 0.00 N ATOM 219 CA LEU A 19 -16.726 5.672 -3.642 1.00 0.00 C ATOM 220 C LEU A 19 -17.189 6.609 -4.753 1.00 0.00 C ATOM 221 O LEU A 19 -17.195 7.832 -4.606 1.00 0.00 O ATOM 222 CB LEU A 19 -17.938 5.066 -2.933 1.00 0.00 C ATOM 223 CG LEU A 19 -17.738 3.673 -2.335 1.00 0.00 C ATOM 224 CD1 LEU A 19 -17.731 2.617 -3.430 1.00 0.00 C ATOM 225 CD2 LEU A 19 -16.448 3.618 -1.530 1.00 0.00 C ATOM 0 H LEU A 19 -16.037 6.114 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 19 -16.136 4.871 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -18.242 5.742 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -18.764 5.020 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 19 -18.571 3.464 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -17.588 1.632 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -18.682 2.639 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.919 2.822 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.322 2.619 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.604 3.848 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.493 4.347 -0.721 1.00 0.00 H new ATOM 237 N PRO A 20 -17.589 6.025 -5.893 1.00 0.00 N ATOM 238 CA PRO A 20 -17.585 4.571 -6.080 1.00 0.00 C ATOM 239 C PRO A 20 -16.174 4.001 -6.168 1.00 0.00 C ATOM 240 O PRO A 20 -15.987 2.786 -6.232 1.00 0.00 O ATOM 241 CB PRO A 20 -18.322 4.383 -7.409 1.00 0.00 C ATOM 242 CG PRO A 20 -18.120 5.666 -8.139 1.00 0.00 C ATOM 243 CD PRO A 20 -18.074 6.739 -7.086 1.00 0.00 C ATOM 0 HA PRO A 20 -18.049 4.051 -5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.918 3.540 -7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.381 4.181 -7.249 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.195 5.645 -8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.932 5.846 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.404 7.551 -7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.057 7.180 -6.919 1.00 0.00 H new ATOM 251 N VAL A 21 -15.182 4.886 -6.170 1.00 0.00 N ATOM 252 CA VAL A 21 -13.787 4.471 -6.249 1.00 0.00 C ATOM 253 C VAL A 21 -13.477 3.388 -5.221 1.00 0.00 C ATOM 254 O VAL A 21 -13.148 3.684 -4.072 1.00 0.00 O ATOM 255 CB VAL A 21 -12.834 5.661 -6.027 1.00 0.00 C ATOM 256 CG1 VAL A 21 -11.387 5.226 -6.206 1.00 0.00 C ATOM 257 CG2 VAL A 21 -13.177 6.801 -6.974 1.00 0.00 C ATOM 0 H VAL A 21 -15.319 5.895 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.632 4.072 -7.251 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.958 6.018 -5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.728 6.079 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.150 4.444 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.245 4.843 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.494 7.633 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.082 6.459 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.201 7.129 -6.793 1.00 0.00 H new ATOM 267 N ASP A 22 -13.584 2.133 -5.642 1.00 0.00 N ATOM 268 CA ASP A 22 -13.314 1.004 -4.759 1.00 0.00 C ATOM 269 C ASP A 22 -12.004 0.321 -5.136 1.00 0.00 C ATOM 270 O ASP A 22 -11.907 -0.906 -5.126 1.00 0.00 O ATOM 271 CB ASP A 22 -14.464 -0.003 -4.817 1.00 0.00 C ATOM 272 CG ASP A 22 -15.049 -0.135 -6.209 1.00 0.00 C ATOM 273 OD1 ASP A 22 -14.292 -0.482 -7.140 1.00 0.00 O ATOM 274 OD2 ASP A 22 -16.263 0.108 -6.368 1.00 0.00 O ATOM 0 H ASP A 22 -13.856 1.871 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.225 1.384 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.107 -0.977 -4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.248 0.305 -4.125 1.00 0.00 H new ATOM 279 N SER A 23 -10.998 1.123 -5.470 1.00 0.00 N ATOM 280 CA SER A 23 -9.694 0.595 -5.855 1.00 0.00 C ATOM 281 C SER A 23 -8.604 1.644 -5.657 1.00 0.00 C ATOM 282 O SER A 23 -8.839 2.841 -5.821 1.00 0.00 O ATOM 283 CB SER A 23 -9.717 0.137 -7.315 1.00 0.00 C ATOM 284 OG SER A 23 -9.986 1.222 -8.186 1.00 0.00 O ATOM 0 H SER A 23 -11.061 2.141 -5.482 1.00 0.00 H new ATOM 0 HA SER A 23 -9.472 -0.260 -5.216 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.758 -0.312 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.476 -0.635 -7.445 1.00 0.00 H new ATOM 0 HG SER A 23 -9.994 0.903 -9.113 1.00 0.00 H new ATOM 290 N THR A 24 -7.408 1.184 -5.301 1.00 0.00 N ATOM 291 CA THR A 24 -6.280 2.080 -5.078 1.00 0.00 C ATOM 292 C THR A 24 -4.963 1.408 -5.448 1.00 0.00 C ATOM 293 O THR A 24 -4.926 0.217 -5.759 1.00 0.00 O ATOM 294 CB THR A 24 -6.212 2.543 -3.611 1.00 0.00 C ATOM 295 OG1 THR A 24 -5.340 3.673 -3.493 1.00 0.00 O ATOM 296 CG2 THR A 24 -5.719 1.420 -2.711 1.00 0.00 C ATOM 0 H THR A 24 -7.196 0.196 -5.161 1.00 0.00 H new ATOM 0 HA THR A 24 -6.435 2.948 -5.719 1.00 0.00 H new ATOM 0 HB THR A 24 -7.217 2.825 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.583 4.345 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.679 1.771 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.401 0.573 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.723 1.111 -3.028 1.00 0.00 H new ATOM 304 N THR A 25 -3.880 2.179 -5.414 1.00 0.00 N ATOM 305 CA THR A 25 -2.560 1.659 -5.746 1.00 0.00 C ATOM 306 C THR A 25 -1.523 2.091 -4.716 1.00 0.00 C ATOM 307 O THR A 25 -1.357 3.282 -4.449 1.00 0.00 O ATOM 308 CB THR A 25 -2.107 2.127 -7.142 1.00 0.00 C ATOM 309 OG1 THR A 25 -2.284 3.543 -7.265 1.00 0.00 O ATOM 310 CG2 THR A 25 -2.893 1.416 -8.233 1.00 0.00 C ATOM 0 H THR A 25 -3.892 3.167 -5.160 1.00 0.00 H new ATOM 0 HA THR A 25 -2.639 0.572 -5.743 1.00 0.00 H new ATOM 0 HB THR A 25 -1.051 1.881 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.026 3.979 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.555 1.763 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.733 0.341 -8.155 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.955 1.634 -8.118 1.00 0.00 H new ATOM 318 N LEU A 26 -0.828 1.118 -4.139 1.00 0.00 N ATOM 319 CA LEU A 26 0.195 1.398 -3.137 1.00 0.00 C ATOM 320 C LEU A 26 1.591 1.322 -3.748 1.00 0.00 C ATOM 321 O LEU A 26 2.242 0.278 -3.706 1.00 0.00 O ATOM 322 CB LEU A 26 0.081 0.411 -1.974 1.00 0.00 C ATOM 323 CG LEU A 26 -1.285 0.332 -1.292 1.00 0.00 C ATOM 324 CD1 LEU A 26 -1.425 -0.975 -0.527 1.00 0.00 C ATOM 325 CD2 LEU A 26 -1.488 1.520 -0.363 1.00 0.00 C ATOM 0 H LEU A 26 -0.954 0.127 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 26 0.036 2.410 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.340 -0.582 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.825 0.678 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.056 0.363 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.403 -1.013 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.326 -1.813 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.646 -1.037 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.466 1.446 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.711 1.521 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.433 2.445 -0.937 1.00 0.00 H new ATOM 337 N ASP A 27 2.044 2.436 -4.313 1.00 0.00 N ATOM 338 CA ASP A 27 3.364 2.497 -4.929 1.00 0.00 C ATOM 339 C ASP A 27 4.446 2.717 -3.877 1.00 0.00 C ATOM 340 O ASP A 27 4.499 3.766 -3.236 1.00 0.00 O ATOM 341 CB ASP A 27 3.413 3.617 -5.970 1.00 0.00 C ATOM 342 CG ASP A 27 4.832 3.996 -6.347 1.00 0.00 C ATOM 343 OD1 ASP A 27 5.507 4.655 -5.528 1.00 0.00 O ATOM 344 OD2 ASP A 27 5.267 3.635 -7.461 1.00 0.00 O ATOM 0 H ASP A 27 1.517 3.308 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 27 3.551 1.543 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.875 3.302 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.897 4.494 -5.580 1.00 0.00 H new ATOM 349 N GLY A 28 5.308 1.719 -3.703 1.00 0.00 N ATOM 350 CA GLY A 28 6.376 1.823 -2.726 1.00 0.00 C ATOM 351 C GLY A 28 7.721 2.105 -3.365 1.00 0.00 C ATOM 352 O GLY A 28 8.766 1.883 -2.753 1.00 0.00 O ATOM 0 H GLY A 28 5.285 0.841 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.140 2.617 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.435 0.895 -2.157 1.00 0.00 H new ATOM 356 N SER A 29 7.697 2.593 -4.601 1.00 0.00 N ATOM 357 CA SER A 29 8.924 2.900 -5.326 1.00 0.00 C ATOM 358 C SER A 29 9.536 4.206 -4.830 1.00 0.00 C ATOM 359 O SER A 29 10.518 4.697 -5.388 1.00 0.00 O ATOM 360 CB SER A 29 8.645 2.991 -6.828 1.00 0.00 C ATOM 361 OG SER A 29 8.753 1.720 -7.445 1.00 0.00 O ATOM 0 H SER A 29 6.841 2.784 -5.121 1.00 0.00 H new ATOM 0 HA SER A 29 9.635 2.094 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.646 3.394 -6.992 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.348 3.684 -7.290 1.00 0.00 H new ATOM 0 HG SER A 29 8.569 1.805 -8.404 1.00 0.00 H new ATOM 367 N LYS A 30 8.948 4.766 -3.778 1.00 0.00 N ATOM 368 CA LYS A 30 9.433 6.015 -3.204 1.00 0.00 C ATOM 369 C LYS A 30 10.118 5.768 -1.864 1.00 0.00 C ATOM 370 O LYS A 30 9.876 6.483 -0.892 1.00 0.00 O ATOM 371 CB LYS A 30 8.277 7.001 -3.025 1.00 0.00 C ATOM 372 CG LYS A 30 7.745 7.560 -4.333 1.00 0.00 C ATOM 373 CD LYS A 30 8.653 8.645 -4.886 1.00 0.00 C ATOM 374 CE LYS A 30 8.171 9.138 -6.242 1.00 0.00 C ATOM 375 NZ LYS A 30 8.041 8.025 -7.223 1.00 0.00 N ATOM 0 H LYS A 30 8.134 4.374 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 30 10.163 6.443 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.465 6.503 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.609 7.826 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.652 6.755 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.745 7.966 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.691 9.480 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.668 8.259 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.208 9.634 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.869 9.882 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.012 8.414 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.856 7.385 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.164 7.498 -7.036 1.00 0.00 H new ATOM 389 N SER A 31 10.974 4.753 -1.820 1.00 0.00 N ATOM 390 CA SER A 31 11.692 4.410 -0.598 1.00 0.00 C ATOM 391 C SER A 31 12.453 5.618 -0.058 1.00 0.00 C ATOM 392 O SER A 31 12.341 6.723 -0.588 1.00 0.00 O ATOM 393 CB SER A 31 12.662 3.256 -0.857 1.00 0.00 C ATOM 394 OG SER A 31 13.885 3.729 -1.395 1.00 0.00 O ATOM 0 H SER A 31 11.188 4.153 -2.617 1.00 0.00 H new ATOM 0 HA SER A 31 10.961 4.099 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.853 2.721 0.074 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.209 2.544 -1.547 1.00 0.00 H new ATOM 0 HG SER A 31 14.509 2.980 -1.497 1.00 0.00 H new ATOM 400 N SER A 32 13.227 5.397 0.999 1.00 0.00 N ATOM 401 CA SER A 32 14.005 6.467 1.614 1.00 0.00 C ATOM 402 C SER A 32 14.862 7.183 0.574 1.00 0.00 C ATOM 403 O SER A 32 14.982 6.730 -0.565 1.00 0.00 O ATOM 404 CB SER A 32 14.894 5.906 2.726 1.00 0.00 C ATOM 405 OG SER A 32 15.329 6.935 3.598 1.00 0.00 O ATOM 0 H SER A 32 13.333 4.487 1.448 1.00 0.00 H new ATOM 0 HA SER A 32 13.309 7.187 2.044 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.344 5.154 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.758 5.406 2.288 1.00 0.00 H new ATOM 0 HG SER A 32 15.894 6.551 4.301 1.00 0.00 H new ATOM 411 N ASP A 33 15.454 8.302 0.974 1.00 0.00 N ATOM 412 CA ASP A 33 16.302 9.081 0.079 1.00 0.00 C ATOM 413 C ASP A 33 17.595 8.335 -0.232 1.00 0.00 C ATOM 414 O ASP A 33 18.067 7.530 0.571 1.00 0.00 O ATOM 415 CB ASP A 33 16.620 10.442 0.699 1.00 0.00 C ATOM 416 CG ASP A 33 15.403 11.090 1.330 1.00 0.00 C ATOM 417 OD1 ASP A 33 14.384 11.252 0.625 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.469 11.435 2.528 1.00 0.00 O ATOM 0 H ASP A 33 15.363 8.691 1.913 1.00 0.00 H new ATOM 0 HA ASP A 33 15.759 9.233 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 33 17.396 10.321 1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.023 11.103 -0.069 1.00 0.00 H new ATOM 423 N ASP A 34 18.163 8.606 -1.402 1.00 0.00 N ATOM 424 CA ASP A 34 19.402 7.961 -1.819 1.00 0.00 C ATOM 425 C ASP A 34 19.463 6.523 -1.312 1.00 0.00 C ATOM 426 O ASP A 34 20.532 6.025 -0.958 1.00 0.00 O ATOM 427 CB ASP A 34 20.609 8.747 -1.307 1.00 0.00 C ATOM 428 CG ASP A 34 20.658 10.158 -1.860 1.00 0.00 C ATOM 429 OD1 ASP A 34 19.982 10.420 -2.876 1.00 0.00 O ATOM 430 OD2 ASP A 34 21.374 11.000 -1.277 1.00 0.00 O ATOM 0 H ASP A 34 17.784 9.269 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 34 19.425 7.945 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 34 20.577 8.788 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.524 8.221 -1.580 1.00 0.00 H new ATOM 435 N GLN A 35 18.310 5.863 -1.278 1.00 0.00 N ATOM 436 CA GLN A 35 18.233 4.484 -0.812 1.00 0.00 C ATOM 437 C GLN A 35 17.593 3.587 -1.867 1.00 0.00 C ATOM 438 O GLN A 35 16.541 3.912 -2.418 1.00 0.00 O ATOM 439 CB GLN A 35 17.436 4.407 0.491 1.00 0.00 C ATOM 440 CG GLN A 35 18.292 4.558 1.738 1.00 0.00 C ATOM 441 CD GLN A 35 17.672 3.901 2.955 1.00 0.00 C ATOM 442 OE1 GLN A 35 16.976 2.891 2.842 1.00 0.00 O ATOM 443 NE2 GLN A 35 17.922 4.470 4.128 1.00 0.00 N ATOM 0 H GLN A 35 17.417 6.261 -1.568 1.00 0.00 H new ATOM 0 HA GLN A 35 19.248 4.132 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.674 5.186 0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 35 16.914 3.451 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.274 4.122 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.447 5.618 1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 35 18.504 5.306 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.532 4.071 4.982 1.00 0.00 H new ATOM 452 N LYS A 36 18.235 2.458 -2.145 1.00 0.00 N ATOM 453 CA LYS A 36 17.729 1.513 -3.134 1.00 0.00 C ATOM 454 C LYS A 36 17.295 0.211 -2.469 1.00 0.00 C ATOM 455 O LYS A 36 17.954 -0.279 -1.552 1.00 0.00 O ATOM 456 CB LYS A 36 18.799 1.227 -4.190 1.00 0.00 C ATOM 457 CG LYS A 36 20.001 0.471 -3.650 1.00 0.00 C ATOM 458 CD LYS A 36 19.812 -1.032 -3.765 1.00 0.00 C ATOM 459 CE LYS A 36 21.145 -1.753 -3.895 1.00 0.00 C ATOM 460 NZ LYS A 36 21.022 -3.011 -4.682 1.00 0.00 N ATOM 0 H LYS A 36 19.108 2.175 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 36 16.861 1.961 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 18.353 0.651 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 36 19.136 2.171 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 36 20.895 0.769 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 36 20.162 0.740 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.281 -1.401 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 36 19.190 -1.256 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 36 21.869 -1.094 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 36 21.532 -1.982 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 21.968 -3.338 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.563 -3.741 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.449 -2.834 -5.532 1.00 0.00 H new ATOM 474 N ILE A 37 16.183 -0.346 -2.939 1.00 0.00 N ATOM 475 CA ILE A 37 15.663 -1.592 -2.391 1.00 0.00 C ATOM 476 C ILE A 37 15.655 -2.695 -3.445 1.00 0.00 C ATOM 477 O ILE A 37 15.686 -2.420 -4.645 1.00 0.00 O ATOM 478 CB ILE A 37 14.236 -1.413 -1.841 1.00 0.00 C ATOM 479 CG1 ILE A 37 14.049 0.005 -1.299 1.00 0.00 C ATOM 480 CG2 ILE A 37 13.954 -2.442 -0.756 1.00 0.00 C ATOM 481 CD1 ILE A 37 15.045 0.378 -0.224 1.00 0.00 C ATOM 0 H ILE A 37 15.626 0.046 -3.698 1.00 0.00 H new ATOM 0 HA ILE A 37 16.325 -1.878 -1.574 1.00 0.00 H new ATOM 0 HB ILE A 37 13.527 -1.567 -2.654 1.00 0.00 H new ATOM 0 HG12 ILE A 37 14.133 0.714 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 37 13.040 0.102 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 37 12.942 -2.303 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.051 -3.445 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 37 14.667 -2.316 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 37 14.852 1.396 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 37 14.946 -0.308 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 37 16.056 0.314 -0.627 1.00 0.00 H new ATOM 493 N ILE A 38 15.613 -3.942 -2.988 1.00 0.00 N ATOM 494 CA ILE A 38 15.598 -5.085 -3.892 1.00 0.00 C ATOM 495 C ILE A 38 14.519 -6.087 -3.493 1.00 0.00 C ATOM 496 O ILE A 38 14.638 -7.282 -3.760 1.00 0.00 O ATOM 497 CB ILE A 38 16.962 -5.800 -3.917 1.00 0.00 C ATOM 498 CG1 ILE A 38 17.310 -6.332 -2.526 1.00 0.00 C ATOM 499 CG2 ILE A 38 18.045 -4.856 -4.416 1.00 0.00 C ATOM 500 CD1 ILE A 38 18.178 -7.571 -2.552 1.00 0.00 C ATOM 0 H ILE A 38 15.589 -4.186 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 38 15.381 -4.698 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 38 16.900 -6.645 -4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 38 17.823 -5.551 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.387 -6.556 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 38 19.003 -5.375 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 17.800 -4.522 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 38 18.109 -3.993 -3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.385 -7.892 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 38 17.659 -8.368 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 38 19.117 -7.347 -3.059 1.00 0.00 H new ATOM 512 N SER A 39 13.465 -5.590 -2.853 1.00 0.00 N ATOM 513 CA SER A 39 12.365 -6.441 -2.415 1.00 0.00 C ATOM 514 C SER A 39 11.117 -5.612 -2.131 1.00 0.00 C ATOM 515 O SER A 39 11.194 -4.539 -1.531 1.00 0.00 O ATOM 516 CB SER A 39 12.766 -7.226 -1.165 1.00 0.00 C ATOM 517 OG SER A 39 11.863 -8.290 -0.919 1.00 0.00 O ATOM 0 H SER A 39 13.350 -4.602 -2.626 1.00 0.00 H new ATOM 0 HA SER A 39 12.139 -7.142 -3.218 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.774 -7.622 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.789 -6.558 -0.304 1.00 0.00 H new ATOM 0 HG SER A 39 12.142 -8.777 -0.116 1.00 0.00 H new ATOM 523 N TYR A 40 9.968 -6.116 -2.565 1.00 0.00 N ATOM 524 CA TYR A 40 8.702 -5.422 -2.360 1.00 0.00 C ATOM 525 C TYR A 40 7.585 -6.410 -2.038 1.00 0.00 C ATOM 526 O TYR A 40 7.349 -7.364 -2.781 1.00 0.00 O ATOM 527 CB TYR A 40 8.335 -4.608 -3.602 1.00 0.00 C ATOM 528 CG TYR A 40 9.339 -3.527 -3.935 1.00 0.00 C ATOM 529 CD1 TYR A 40 9.484 -2.411 -3.120 1.00 0.00 C ATOM 530 CD2 TYR A 40 10.141 -3.622 -5.066 1.00 0.00 C ATOM 531 CE1 TYR A 40 10.399 -1.421 -3.421 1.00 0.00 C ATOM 532 CE2 TYR A 40 11.060 -2.637 -5.373 1.00 0.00 C ATOM 533 CZ TYR A 40 11.185 -1.539 -4.548 1.00 0.00 C ATOM 534 OH TYR A 40 12.099 -0.555 -4.852 1.00 0.00 O ATOM 0 H TYR A 40 9.887 -7.003 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 40 8.821 -4.746 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.243 -5.282 -4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.357 -4.150 -3.451 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.871 -2.316 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.044 -4.480 -5.715 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.498 -0.559 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.677 -2.726 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 40 12.572 -0.792 -5.677 1.00 0.00 H new ATOM 544 N LEU A 41 6.899 -6.175 -0.925 1.00 0.00 N ATOM 545 CA LEU A 41 5.805 -7.043 -0.503 1.00 0.00 C ATOM 546 C LEU A 41 4.658 -6.226 0.085 1.00 0.00 C ATOM 547 O LEU A 41 4.879 -5.300 0.865 1.00 0.00 O ATOM 548 CB LEU A 41 6.302 -8.059 0.527 1.00 0.00 C ATOM 549 CG LEU A 41 5.295 -9.127 0.957 1.00 0.00 C ATOM 550 CD1 LEU A 41 4.972 -10.054 -0.205 1.00 0.00 C ATOM 551 CD2 LEU A 41 5.830 -9.919 2.141 1.00 0.00 C ATOM 0 H LEU A 41 7.081 -5.391 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 41 5.436 -7.575 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.180 -8.560 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.627 -7.517 1.415 1.00 0.00 H new ATOM 0 HG LEU A 41 4.375 -8.629 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.254 -10.807 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.546 -9.475 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.885 -10.544 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.100 -10.674 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.764 -10.406 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.010 -9.245 2.978 1.00 0.00 H new ATOM 563 N TRP A 42 3.435 -6.578 -0.293 1.00 0.00 N ATOM 564 CA TRP A 42 2.253 -5.879 0.198 1.00 0.00 C ATOM 565 C TRP A 42 1.227 -6.864 0.748 1.00 0.00 C ATOM 566 O TRP A 42 0.878 -7.842 0.089 1.00 0.00 O ATOM 567 CB TRP A 42 1.627 -5.043 -0.920 1.00 0.00 C ATOM 568 CG TRP A 42 2.450 -3.850 -1.302 1.00 0.00 C ATOM 569 CD1 TRP A 42 3.408 -3.793 -2.274 1.00 0.00 C ATOM 570 CD2 TRP A 42 2.389 -2.545 -0.718 1.00 0.00 C ATOM 571 NE1 TRP A 42 3.946 -2.530 -2.329 1.00 0.00 N ATOM 572 CE2 TRP A 42 3.337 -1.745 -1.386 1.00 0.00 C ATOM 573 CE3 TRP A 42 1.624 -1.972 0.302 1.00 0.00 C ATOM 574 CZ2 TRP A 42 3.539 -0.406 -1.064 1.00 0.00 C ATOM 575 CZ3 TRP A 42 1.826 -0.643 0.620 1.00 0.00 C ATOM 576 CH2 TRP A 42 2.777 0.129 -0.061 1.00 0.00 C ATOM 0 H TRP A 42 3.236 -7.343 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 42 2.564 -5.217 1.006 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.484 -5.673 -1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.639 -4.708 -0.604 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.700 -4.619 -2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.680 -2.226 -2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.888 -2.558 0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.272 0.190 -1.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.241 -0.191 1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.911 1.166 0.211 1.00 0.00 H new ATOM 587 N GLU A 43 0.748 -6.598 1.959 1.00 0.00 N ATOM 588 CA GLU A 43 -0.238 -7.463 2.597 1.00 0.00 C ATOM 589 C GLU A 43 -1.082 -6.680 3.599 1.00 0.00 C ATOM 590 O GLU A 43 -0.586 -5.780 4.276 1.00 0.00 O ATOM 591 CB GLU A 43 0.456 -8.631 3.301 1.00 0.00 C ATOM 592 CG GLU A 43 1.216 -9.547 2.356 1.00 0.00 C ATOM 593 CD GLU A 43 1.720 -10.803 3.040 1.00 0.00 C ATOM 594 OE1 GLU A 43 0.999 -11.333 3.911 1.00 0.00 O ATOM 595 OE2 GLU A 43 2.834 -11.255 2.704 1.00 0.00 O ATOM 0 H GLU A 43 1.026 -5.791 2.518 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.896 -7.854 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.148 -8.236 4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.291 -9.216 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.567 -9.826 1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.061 -9.005 1.932 1.00 0.00 H new ATOM 602 N LYS A 44 -2.361 -7.030 3.686 1.00 0.00 N ATOM 603 CA LYS A 44 -3.276 -6.362 4.604 1.00 0.00 C ATOM 604 C LYS A 44 -3.145 -6.933 6.013 1.00 0.00 C ATOM 605 O LYS A 44 -3.478 -8.093 6.258 1.00 0.00 O ATOM 606 CB LYS A 44 -4.719 -6.508 4.115 1.00 0.00 C ATOM 607 CG LYS A 44 -5.711 -5.653 4.884 1.00 0.00 C ATOM 608 CD LYS A 44 -7.128 -6.185 4.749 1.00 0.00 C ATOM 609 CE LYS A 44 -7.513 -6.381 3.291 1.00 0.00 C ATOM 610 NZ LYS A 44 -8.774 -7.160 3.150 1.00 0.00 N ATOM 0 H LYS A 44 -2.787 -7.773 3.132 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.014 -5.304 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.765 -6.242 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.016 -7.554 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.430 -5.626 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.670 -4.627 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.214 -7.133 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.825 -5.492 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.632 -5.409 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.707 -6.897 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.327 -6.785 2.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.547 -8.159 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.331 -7.081 4.025 1.00 0.00 H new ATOM 624 N THR A 45 -2.660 -6.110 6.938 1.00 0.00 N ATOM 625 CA THR A 45 -2.487 -6.532 8.322 1.00 0.00 C ATOM 626 C THR A 45 -3.788 -6.401 9.104 1.00 0.00 C ATOM 627 O THR A 45 -4.119 -7.257 9.924 1.00 0.00 O ATOM 628 CB THR A 45 -1.392 -5.709 9.027 1.00 0.00 C ATOM 629 OG1 THR A 45 -1.471 -4.338 8.622 1.00 0.00 O ATOM 630 CG2 THR A 45 -0.010 -6.259 8.705 1.00 0.00 C ATOM 0 H THR A 45 -2.380 -5.147 6.753 1.00 0.00 H new ATOM 0 HA THR A 45 -2.186 -7.579 8.298 1.00 0.00 H new ATOM 0 HB THR A 45 -1.553 -5.779 10.103 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.310 -4.187 8.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.747 -5.662 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.057 -7.294 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.157 -6.216 7.629 1.00 0.00 H new ATOM 638 N GLN A 46 -4.523 -5.324 8.845 1.00 0.00 N ATOM 639 CA GLN A 46 -5.789 -5.082 9.526 1.00 0.00 C ATOM 640 C GLN A 46 -6.868 -4.658 8.535 1.00 0.00 C ATOM 641 O GLN A 46 -6.568 -4.202 7.433 1.00 0.00 O ATOM 642 CB GLN A 46 -5.617 -4.007 10.601 1.00 0.00 C ATOM 643 CG GLN A 46 -5.261 -4.566 11.969 1.00 0.00 C ATOM 644 CD GLN A 46 -4.804 -3.493 12.938 1.00 0.00 C ATOM 645 OE1 GLN A 46 -5.600 -2.673 13.395 1.00 0.00 O ATOM 646 NE2 GLN A 46 -3.515 -3.494 13.256 1.00 0.00 N ATOM 0 H GLN A 46 -4.263 -4.606 8.169 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.101 -6.013 9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.837 -3.313 10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.541 -3.434 10.681 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.128 -5.079 12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.472 -5.310 11.859 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.891 -4.193 12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.149 -2.796 13.903 1.00 0.00 H new ATOM 655 N GLY A 47 -8.127 -4.812 8.936 1.00 0.00 N ATOM 656 CA GLY A 47 -9.231 -4.441 8.071 1.00 0.00 C ATOM 657 C GLY A 47 -10.081 -5.631 7.674 1.00 0.00 C ATOM 658 O GLY A 47 -9.716 -6.785 7.899 1.00 0.00 O ATOM 0 H GLY A 47 -8.401 -5.187 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.855 -3.706 8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.840 -3.962 7.173 1.00 0.00 H new ATOM 662 N PRO A 48 -11.246 -5.356 7.069 1.00 0.00 N ATOM 663 CA PRO A 48 -12.176 -6.400 6.627 1.00 0.00 C ATOM 664 C PRO A 48 -11.636 -7.194 5.442 1.00 0.00 C ATOM 665 O PRO A 48 -11.512 -6.668 4.336 1.00 0.00 O ATOM 666 CB PRO A 48 -13.425 -5.614 6.220 1.00 0.00 C ATOM 667 CG PRO A 48 -12.920 -4.259 5.864 1.00 0.00 C ATOM 668 CD PRO A 48 -11.746 -4.003 6.768 1.00 0.00 C ATOM 0 HA PRO A 48 -12.357 -7.141 7.406 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.930 -6.083 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.146 -5.566 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.622 -4.217 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.694 -3.505 6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.987 -3.394 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.044 -3.474 7.673 1.00 0.00 H new ATOM 676 N ASP A 49 -11.316 -8.461 5.682 1.00 0.00 N ATOM 677 CA ASP A 49 -10.790 -9.327 4.633 1.00 0.00 C ATOM 678 C ASP A 49 -11.806 -9.497 3.508 1.00 0.00 C ATOM 679 O ASP A 49 -12.938 -9.921 3.738 1.00 0.00 O ATOM 680 CB ASP A 49 -10.418 -10.694 5.211 1.00 0.00 C ATOM 681 CG ASP A 49 -9.379 -10.594 6.311 1.00 0.00 C ATOM 682 OD1 ASP A 49 -9.663 -9.941 7.338 1.00 0.00 O ATOM 683 OD2 ASP A 49 -8.284 -11.169 6.146 1.00 0.00 O ATOM 0 H ASP A 49 -11.411 -8.911 6.593 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.896 -8.858 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.314 -11.175 5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.038 -11.332 4.413 1.00 0.00 H new ATOM 688 N GLY A 50 -11.393 -9.161 2.289 1.00 0.00 N ATOM 689 CA GLY A 50 -12.280 -9.282 1.147 1.00 0.00 C ATOM 690 C GLY A 50 -11.704 -8.647 -0.104 1.00 0.00 C ATOM 691 O GLY A 50 -12.074 -9.011 -1.220 1.00 0.00 O ATOM 0 H GLY A 50 -10.461 -8.808 2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.480 -10.336 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.236 -8.813 1.382 1.00 0.00 H new ATOM 695 N VAL A 51 -10.797 -7.694 0.083 1.00 0.00 N ATOM 696 CA VAL A 51 -10.169 -7.006 -1.039 1.00 0.00 C ATOM 697 C VAL A 51 -9.219 -7.932 -1.790 1.00 0.00 C ATOM 698 O VAL A 51 -8.881 -9.013 -1.307 1.00 0.00 O ATOM 699 CB VAL A 51 -9.391 -5.761 -0.570 1.00 0.00 C ATOM 700 CG1 VAL A 51 -10.220 -4.954 0.417 1.00 0.00 C ATOM 701 CG2 VAL A 51 -8.060 -6.166 0.044 1.00 0.00 C ATOM 0 H VAL A 51 -10.480 -7.381 1.001 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.971 -6.694 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.189 -5.132 -1.437 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.654 -4.079 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.145 -4.633 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.456 -5.571 1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.523 -5.275 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.237 -6.816 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.464 -6.698 -0.698 1.00 0.00 H new ATOM 711 N GLN A 52 -8.792 -7.501 -2.972 1.00 0.00 N ATOM 712 CA GLN A 52 -7.881 -8.293 -3.790 1.00 0.00 C ATOM 713 C GLN A 52 -6.628 -7.496 -4.136 1.00 0.00 C ATOM 714 O GLN A 52 -6.710 -6.396 -4.685 1.00 0.00 O ATOM 715 CB GLN A 52 -8.579 -8.750 -5.072 1.00 0.00 C ATOM 716 CG GLN A 52 -9.713 -9.733 -4.830 1.00 0.00 C ATOM 717 CD GLN A 52 -10.239 -10.345 -6.113 1.00 0.00 C ATOM 718 OE1 GLN A 52 -9.469 -10.818 -6.950 1.00 0.00 O ATOM 719 NE2 GLN A 52 -11.557 -10.339 -6.276 1.00 0.00 N ATOM 0 H GLN A 52 -9.062 -6.608 -3.385 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.585 -9.170 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.971 -7.877 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.844 -9.211 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.365 -10.527 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.527 -9.223 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.158 -9.937 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.968 -10.737 -7.120 1.00 0.00 H new ATOM 728 N LEU A 53 -5.468 -8.056 -3.811 1.00 0.00 N ATOM 729 CA LEU A 53 -4.196 -7.397 -4.087 1.00 0.00 C ATOM 730 C LEU A 53 -3.504 -8.030 -5.289 1.00 0.00 C ATOM 731 O LEU A 53 -3.258 -9.236 -5.311 1.00 0.00 O ATOM 732 CB LEU A 53 -3.284 -7.472 -2.861 1.00 0.00 C ATOM 733 CG LEU A 53 -3.376 -6.300 -1.883 1.00 0.00 C ATOM 734 CD1 LEU A 53 -3.088 -6.766 -0.464 1.00 0.00 C ATOM 735 CD2 LEU A 53 -2.415 -5.191 -2.287 1.00 0.00 C ATOM 0 H LEU A 53 -5.382 -8.965 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.399 -6.351 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.512 -8.390 -2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.253 -7.552 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.391 -5.904 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.158 -5.919 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.815 -7.525 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.084 -7.188 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.494 -4.365 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.395 -5.575 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.667 -4.838 -3.287 1.00 0.00 H new ATOM 747 N GLU A 54 -3.192 -7.209 -6.287 1.00 0.00 N ATOM 748 CA GLU A 54 -2.527 -7.690 -7.492 1.00 0.00 C ATOM 749 C GLU A 54 -1.073 -7.228 -7.533 1.00 0.00 C ATOM 750 O GLU A 54 -0.767 -6.079 -7.216 1.00 0.00 O ATOM 751 CB GLU A 54 -3.265 -7.198 -8.739 1.00 0.00 C ATOM 752 CG GLU A 54 -4.407 -8.103 -9.167 1.00 0.00 C ATOM 753 CD GLU A 54 -5.501 -7.354 -9.904 1.00 0.00 C ATOM 754 OE1 GLU A 54 -6.174 -6.514 -9.271 1.00 0.00 O ATOM 755 OE2 GLU A 54 -5.684 -7.608 -11.113 1.00 0.00 O ATOM 0 H GLU A 54 -3.389 -6.208 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.543 -8.780 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.656 -6.199 -8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.554 -7.111 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.018 -8.894 -9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.832 -8.586 -8.287 1.00 0.00 H new ATOM 762 N ASN A 55 -0.182 -8.133 -7.924 1.00 0.00 N ATOM 763 CA ASN A 55 1.240 -7.819 -8.005 1.00 0.00 C ATOM 764 C ASN A 55 1.771 -7.349 -6.654 1.00 0.00 C ATOM 765 O ASN A 55 2.657 -6.497 -6.586 1.00 0.00 O ATOM 766 CB ASN A 55 1.487 -6.744 -9.065 1.00 0.00 C ATOM 767 CG ASN A 55 1.613 -7.326 -10.460 1.00 0.00 C ATOM 768 OD1 ASN A 55 2.666 -7.843 -10.836 1.00 0.00 O ATOM 769 ND2 ASN A 55 0.538 -7.244 -11.234 1.00 0.00 N ATOM 0 H ASN A 55 -0.419 -9.089 -8.190 1.00 0.00 H new ATOM 0 HA ASN A 55 1.772 -8.727 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.668 -6.025 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.397 -6.197 -8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.563 -7.618 -12.183 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.313 -6.807 -10.880 1.00 0.00 H new ATOM 776 N ALA A 56 1.224 -7.910 -5.581 1.00 0.00 N ATOM 777 CA ALA A 56 1.644 -7.550 -4.232 1.00 0.00 C ATOM 778 C ALA A 56 3.150 -7.718 -4.063 1.00 0.00 C ATOM 779 O ALA A 56 3.778 -7.012 -3.276 1.00 0.00 O ATOM 780 CB ALA A 56 0.899 -8.391 -3.206 1.00 0.00 C ATOM 0 H ALA A 56 0.489 -8.616 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 56 1.402 -6.500 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.222 -8.112 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.173 -8.218 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.113 -9.446 -3.376 1.00 0.00 H new ATOM 786 N ASN A 57 3.723 -8.658 -4.808 1.00 0.00 N ATOM 787 CA ASN A 57 5.157 -8.919 -4.740 1.00 0.00 C ATOM 788 C ASN A 57 5.929 -7.952 -5.631 1.00 0.00 C ATOM 789 O ASN A 57 7.072 -8.215 -6.007 1.00 0.00 O ATOM 790 CB ASN A 57 5.454 -10.361 -5.155 1.00 0.00 C ATOM 791 CG ASN A 57 4.702 -11.373 -4.311 1.00 0.00 C ATOM 792 OD1 ASN A 57 3.710 -11.951 -4.754 1.00 0.00 O ATOM 793 ND2 ASN A 57 5.173 -11.590 -3.089 1.00 0.00 N ATOM 0 H ASN A 57 3.217 -9.251 -5.465 1.00 0.00 H new ATOM 0 HA ASN A 57 5.479 -8.771 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.187 -10.497 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.525 -10.547 -5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.709 -12.259 -2.475 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.999 -11.087 -2.764 1.00 0.00 H new ATOM 800 N SER A 58 5.298 -6.831 -5.966 1.00 0.00 N ATOM 801 CA SER A 58 5.924 -5.825 -6.816 1.00 0.00 C ATOM 802 C SER A 58 5.998 -4.480 -6.101 1.00 0.00 C ATOM 803 O SER A 58 5.356 -4.275 -5.071 1.00 0.00 O ATOM 804 CB SER A 58 5.147 -5.678 -8.125 1.00 0.00 C ATOM 805 OG SER A 58 4.019 -4.837 -7.957 1.00 0.00 O ATOM 0 H SER A 58 4.353 -6.597 -5.662 1.00 0.00 H new ATOM 0 HA SER A 58 6.939 -6.154 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.800 -5.266 -8.895 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.824 -6.660 -8.472 1.00 0.00 H new ATOM 0 HG SER A 58 3.480 -5.159 -7.204 1.00 0.00 H new ATOM 811 N SER A 59 6.786 -3.564 -6.656 1.00 0.00 N ATOM 812 CA SER A 59 6.948 -2.239 -6.071 1.00 0.00 C ATOM 813 C SER A 59 5.623 -1.484 -6.060 1.00 0.00 C ATOM 814 O SER A 59 5.437 -0.542 -5.289 1.00 0.00 O ATOM 815 CB SER A 59 7.997 -1.440 -6.847 1.00 0.00 C ATOM 816 OG SER A 59 7.572 -1.197 -8.177 1.00 0.00 O ATOM 0 H SER A 59 7.322 -3.716 -7.510 1.00 0.00 H new ATOM 0 HA SER A 59 7.284 -2.363 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.183 -0.492 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.940 -1.986 -6.857 1.00 0.00 H new ATOM 0 HG SER A 59 8.259 -0.683 -8.651 1.00 0.00 H new ATOM 822 N VAL A 60 4.702 -1.905 -6.922 1.00 0.00 N ATOM 823 CA VAL A 60 3.393 -1.270 -7.012 1.00 0.00 C ATOM 824 C VAL A 60 2.274 -2.295 -6.858 1.00 0.00 C ATOM 825 O VAL A 60 2.023 -3.095 -7.758 1.00 0.00 O ATOM 826 CB VAL A 60 3.217 -0.533 -8.353 1.00 0.00 C ATOM 827 CG1 VAL A 60 1.896 0.219 -8.381 1.00 0.00 C ATOM 828 CG2 VAL A 60 4.384 0.412 -8.598 1.00 0.00 C ATOM 0 H VAL A 60 4.839 -2.683 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 60 3.335 -0.547 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 60 3.203 -1.272 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.790 0.733 -9.336 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.074 -0.485 -8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.876 0.949 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.244 0.925 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.432 1.146 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.313 -0.157 -8.626 1.00 0.00 H new ATOM 838 N ALA A 61 1.604 -2.263 -5.710 1.00 0.00 N ATOM 839 CA ALA A 61 0.510 -3.187 -5.439 1.00 0.00 C ATOM 840 C ALA A 61 -0.840 -2.537 -5.721 1.00 0.00 C ATOM 841 O ALA A 61 -1.060 -1.369 -5.396 1.00 0.00 O ATOM 842 CB ALA A 61 0.574 -3.671 -3.998 1.00 0.00 C ATOM 0 H ALA A 61 1.800 -1.607 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 61 0.617 -4.044 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.249 -4.360 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.522 -4.182 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.495 -2.818 -3.324 1.00 0.00 H new ATOM 848 N THR A 62 -1.743 -3.299 -6.329 1.00 0.00 N ATOM 849 CA THR A 62 -3.072 -2.797 -6.657 1.00 0.00 C ATOM 850 C THR A 62 -4.143 -3.489 -5.821 1.00 0.00 C ATOM 851 O THR A 62 -4.258 -4.715 -5.832 1.00 0.00 O ATOM 852 CB THR A 62 -3.395 -2.995 -8.150 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.565 -2.143 -8.947 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.859 -2.695 -8.431 1.00 0.00 C ATOM 0 H THR A 62 -1.578 -4.267 -6.605 1.00 0.00 H new ATOM 0 HA THR A 62 -3.071 -1.731 -6.431 1.00 0.00 H new ATOM 0 HB THR A 62 -3.199 -4.036 -8.408 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.775 -2.276 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.063 -2.842 -9.492 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.487 -3.366 -7.844 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.078 -1.662 -8.159 1.00 0.00 H new ATOM 862 N VAL A 63 -4.926 -2.696 -5.097 1.00 0.00 N ATOM 863 CA VAL A 63 -5.989 -3.232 -4.256 1.00 0.00 C ATOM 864 C VAL A 63 -7.360 -2.970 -4.870 1.00 0.00 C ATOM 865 O VAL A 63 -7.709 -1.829 -5.175 1.00 0.00 O ATOM 866 CB VAL A 63 -5.948 -2.623 -2.841 1.00 0.00 C ATOM 867 CG1 VAL A 63 -7.171 -3.046 -2.042 1.00 0.00 C ATOM 868 CG2 VAL A 63 -4.667 -3.027 -2.126 1.00 0.00 C ATOM 0 H VAL A 63 -4.844 -1.680 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.824 -4.307 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.961 -1.537 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.125 -2.606 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.073 -2.703 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.193 -4.133 -1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.654 -2.589 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.622 -4.113 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.806 -2.669 -2.691 1.00 0.00 H new ATOM 878 N THR A 64 -8.136 -4.034 -5.048 1.00 0.00 N ATOM 879 CA THR A 64 -9.469 -3.920 -5.626 1.00 0.00 C ATOM 880 C THR A 64 -10.526 -4.490 -4.687 1.00 0.00 C ATOM 881 O THR A 64 -10.235 -5.353 -3.860 1.00 0.00 O ATOM 882 CB THR A 64 -9.558 -4.647 -6.981 1.00 0.00 C ATOM 883 OG1 THR A 64 -9.648 -6.061 -6.774 1.00 0.00 O ATOM 884 CG2 THR A 64 -8.345 -4.332 -7.844 1.00 0.00 C ATOM 0 H THR A 64 -7.864 -4.985 -4.800 1.00 0.00 H new ATOM 0 HA THR A 64 -9.657 -2.857 -5.779 1.00 0.00 H new ATOM 0 HB THR A 64 -10.453 -4.299 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.706 -6.515 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.430 -4.856 -8.796 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.296 -3.258 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.439 -4.656 -7.331 1.00 0.00 H new ATOM 892 N GLY A 65 -11.755 -4.001 -4.821 1.00 0.00 N ATOM 893 CA GLY A 65 -12.838 -4.474 -3.978 1.00 0.00 C ATOM 894 C GLY A 65 -12.810 -3.852 -2.596 1.00 0.00 C ATOM 895 O GLY A 65 -12.945 -4.550 -1.590 1.00 0.00 O ATOM 0 H GLY A 65 -12.020 -3.286 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.791 -4.248 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.776 -5.558 -3.886 1.00 0.00 H new ATOM 899 N LEU A 66 -12.633 -2.537 -2.544 1.00 0.00 N ATOM 900 CA LEU A 66 -12.586 -1.820 -1.274 1.00 0.00 C ATOM 901 C LEU A 66 -13.968 -1.301 -0.891 1.00 0.00 C ATOM 902 O LEU A 66 -14.805 -1.042 -1.755 1.00 0.00 O ATOM 903 CB LEU A 66 -11.597 -0.656 -1.359 1.00 0.00 C ATOM 904 CG LEU A 66 -10.122 -1.037 -1.495 1.00 0.00 C ATOM 905 CD1 LEU A 66 -9.325 0.118 -2.082 1.00 0.00 C ATOM 906 CD2 LEU A 66 -9.552 -1.451 -0.147 1.00 0.00 C ATOM 0 H LEU A 66 -12.520 -1.945 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.253 -2.516 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.871 -0.034 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.712 -0.042 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.046 -1.886 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.278 -0.171 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.718 0.368 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.407 0.986 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.502 -1.719 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.640 -0.622 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.105 -2.309 0.234 1.00 0.00 H new ATOM 918 N GLN A 67 -14.198 -1.151 0.410 1.00 0.00 N ATOM 919 CA GLN A 67 -15.478 -0.661 0.907 1.00 0.00 C ATOM 920 C GLN A 67 -15.285 0.203 2.149 1.00 0.00 C ATOM 921 O GLN A 67 -14.228 0.175 2.779 1.00 0.00 O ATOM 922 CB GLN A 67 -16.407 -1.834 1.226 1.00 0.00 C ATOM 923 CG GLN A 67 -15.989 -2.624 2.455 1.00 0.00 C ATOM 924 CD GLN A 67 -16.967 -3.731 2.798 1.00 0.00 C ATOM 925 OE1 GLN A 67 -18.173 -3.596 2.587 1.00 0.00 O ATOM 926 NE2 GLN A 67 -16.452 -4.833 3.331 1.00 0.00 N ATOM 0 H GLN A 67 -13.515 -1.362 1.138 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.932 -0.048 0.128 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.418 -1.456 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.440 -2.504 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.002 -3.055 2.287 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.900 -1.947 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.447 -4.902 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.062 -5.611 3.583 1.00 0.00 H new ATOM 935 N VAL A 68 -16.313 0.971 2.494 1.00 0.00 N ATOM 936 CA VAL A 68 -16.257 1.844 3.661 1.00 0.00 C ATOM 937 C VAL A 68 -15.598 1.140 4.842 1.00 0.00 C ATOM 938 O VAL A 68 -16.168 0.220 5.427 1.00 0.00 O ATOM 939 CB VAL A 68 -17.663 2.314 4.078 1.00 0.00 C ATOM 940 CG1 VAL A 68 -17.596 3.125 5.364 1.00 0.00 C ATOM 941 CG2 VAL A 68 -18.307 3.123 2.962 1.00 0.00 C ATOM 0 H VAL A 68 -17.195 1.007 1.982 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.660 2.712 3.379 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.281 1.435 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.599 3.448 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -17.178 2.510 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.963 3.999 5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -19.300 3.447 3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -17.692 3.996 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -18.391 2.506 2.067 1.00 0.00 H new ATOM 951 N GLY A 69 -14.392 1.580 5.189 1.00 0.00 N ATOM 952 CA GLY A 69 -13.675 0.981 6.299 1.00 0.00 C ATOM 953 C GLY A 69 -12.213 1.382 6.328 1.00 0.00 C ATOM 954 O GLY A 69 -11.746 2.123 5.462 1.00 0.00 O ATOM 0 H GLY A 69 -13.899 2.341 4.721 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.148 1.277 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.750 -0.104 6.233 1.00 0.00 H new ATOM 958 N THR A 70 -11.486 0.892 7.328 1.00 0.00 N ATOM 959 CA THR A 70 -10.070 1.205 7.468 1.00 0.00 C ATOM 960 C THR A 70 -9.203 0.003 7.111 1.00 0.00 C ATOM 961 O THR A 70 -9.344 -1.072 7.694 1.00 0.00 O ATOM 962 CB THR A 70 -9.734 1.658 8.902 1.00 0.00 C ATOM 963 OG1 THR A 70 -10.600 1.005 9.837 1.00 0.00 O ATOM 964 CG2 THR A 70 -9.875 3.166 9.040 1.00 0.00 C ATOM 0 H THR A 70 -11.855 0.277 8.053 1.00 0.00 H new ATOM 0 HA THR A 70 -9.857 2.021 6.777 1.00 0.00 H new ATOM 0 HB THR A 70 -8.700 1.385 9.113 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.379 1.297 10.746 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.633 3.462 10.061 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.194 3.660 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.900 3.458 8.811 1.00 0.00 H new ATOM 972 N TYR A 71 -8.307 0.192 6.149 1.00 0.00 N ATOM 973 CA TYR A 71 -7.417 -0.878 5.712 1.00 0.00 C ATOM 974 C TYR A 71 -5.966 -0.554 6.053 1.00 0.00 C ATOM 975 O TYR A 71 -5.477 0.538 5.763 1.00 0.00 O ATOM 976 CB TYR A 71 -7.561 -1.107 4.207 1.00 0.00 C ATOM 977 CG TYR A 71 -8.884 -1.723 3.811 1.00 0.00 C ATOM 978 CD1 TYR A 71 -9.980 -0.925 3.507 1.00 0.00 C ATOM 979 CD2 TYR A 71 -9.037 -3.102 3.741 1.00 0.00 C ATOM 980 CE1 TYR A 71 -11.191 -1.483 3.146 1.00 0.00 C ATOM 981 CE2 TYR A 71 -10.244 -3.669 3.379 1.00 0.00 C ATOM 982 CZ TYR A 71 -11.318 -2.855 3.083 1.00 0.00 C ATOM 983 OH TYR A 71 -12.522 -3.416 2.723 1.00 0.00 O ATOM 0 H TYR A 71 -8.177 1.076 5.657 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.700 -1.789 6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.445 -0.154 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.752 -1.754 3.868 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.884 0.150 3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.198 -3.742 3.973 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.034 -0.848 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.346 -4.743 3.328 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.442 -4.393 2.726 1.00 0.00 H new ATOM 993 N VAL A 72 -5.282 -1.512 6.670 1.00 0.00 N ATOM 994 CA VAL A 72 -3.886 -1.331 7.050 1.00 0.00 C ATOM 995 C VAL A 72 -2.977 -2.275 6.270 1.00 0.00 C ATOM 996 O VAL A 72 -2.892 -3.464 6.575 1.00 0.00 O ATOM 997 CB VAL A 72 -3.679 -1.566 8.558 1.00 0.00 C ATOM 998 CG1 VAL A 72 -2.285 -1.128 8.981 1.00 0.00 C ATOM 999 CG2 VAL A 72 -4.743 -0.835 9.362 1.00 0.00 C ATOM 0 H VAL A 72 -5.672 -2.421 6.917 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.625 -0.300 6.812 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.774 -2.633 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.158 -1.302 10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.540 -1.701 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.157 -0.067 8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.581 -1.012 10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.682 0.234 9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.729 -1.202 9.079 1.00 0.00 H new ATOM 1009 N PHE A 73 -2.299 -1.736 5.262 1.00 0.00 N ATOM 1010 CA PHE A 73 -1.396 -2.530 4.437 1.00 0.00 C ATOM 1011 C PHE A 73 0.055 -2.311 4.853 1.00 0.00 C ATOM 1012 O PHE A 73 0.551 -1.184 4.853 1.00 0.00 O ATOM 1013 CB PHE A 73 -1.575 -2.174 2.960 1.00 0.00 C ATOM 1014 CG PHE A 73 -2.974 -2.384 2.457 1.00 0.00 C ATOM 1015 CD1 PHE A 73 -3.381 -3.626 1.999 1.00 0.00 C ATOM 1016 CD2 PHE A 73 -3.883 -1.338 2.442 1.00 0.00 C ATOM 1017 CE1 PHE A 73 -4.668 -3.823 1.536 1.00 0.00 C ATOM 1018 CE2 PHE A 73 -5.172 -1.529 1.980 1.00 0.00 C ATOM 1019 CZ PHE A 73 -5.565 -2.773 1.526 1.00 0.00 C ATOM 0 H PHE A 73 -2.358 -0.753 4.997 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.642 -3.582 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.296 -1.131 2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.889 -2.776 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.684 -4.451 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.581 -0.363 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.972 -4.797 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.871 -0.706 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.571 -2.924 1.164 1.00 0.00 H new ATOM 1029 N THR A 74 0.733 -3.398 5.209 1.00 0.00 N ATOM 1030 CA THR A 74 2.127 -3.326 5.630 1.00 0.00 C ATOM 1031 C THR A 74 3.067 -3.650 4.474 1.00 0.00 C ATOM 1032 O THR A 74 2.884 -4.645 3.771 1.00 0.00 O ATOM 1033 CB THR A 74 2.412 -4.292 6.795 1.00 0.00 C ATOM 1034 OG1 THR A 74 1.778 -3.820 7.989 1.00 0.00 O ATOM 1035 CG2 THR A 74 3.909 -4.429 7.030 1.00 0.00 C ATOM 0 H THR A 74 0.339 -4.339 5.214 1.00 0.00 H new ATOM 0 HA THR A 74 2.305 -2.304 5.964 1.00 0.00 H new ATOM 0 HB THR A 74 2.010 -5.271 6.533 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.298 -4.103 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.086 -5.116 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.385 -4.816 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.330 -3.453 7.272 1.00 0.00 H new ATOM 1043 N LEU A 75 4.074 -2.805 4.283 1.00 0.00 N ATOM 1044 CA LEU A 75 5.045 -3.002 3.212 1.00 0.00 C ATOM 1045 C LEU A 75 6.376 -3.497 3.768 1.00 0.00 C ATOM 1046 O LEU A 75 7.151 -2.725 4.333 1.00 0.00 O ATOM 1047 CB LEU A 75 5.254 -1.697 2.441 1.00 0.00 C ATOM 1048 CG LEU A 75 6.533 -1.609 1.607 1.00 0.00 C ATOM 1049 CD1 LEU A 75 6.490 -2.602 0.456 1.00 0.00 C ATOM 1050 CD2 LEU A 75 6.732 -0.193 1.085 1.00 0.00 C ATOM 0 H LEU A 75 4.240 -1.977 4.855 1.00 0.00 H new ATOM 0 HA LEU A 75 4.653 -3.759 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.401 -1.549 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.251 -0.872 3.154 1.00 0.00 H new ATOM 0 HG LEU A 75 7.379 -1.862 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.408 -2.525 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.395 -3.613 0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.636 -2.381 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.647 -0.148 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.883 0.088 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.809 0.497 1.925 1.00 0.00 H new ATOM 1062 N THR A 76 6.637 -4.790 3.601 1.00 0.00 N ATOM 1063 CA THR A 76 7.874 -5.389 4.085 1.00 0.00 C ATOM 1064 C THR A 76 8.918 -5.465 2.977 1.00 0.00 C ATOM 1065 O THR A 76 8.789 -6.256 2.042 1.00 0.00 O ATOM 1066 CB THR A 76 7.632 -6.803 4.645 1.00 0.00 C ATOM 1067 OG1 THR A 76 6.562 -6.777 5.596 1.00 0.00 O ATOM 1068 CG2 THR A 76 8.891 -7.346 5.306 1.00 0.00 C ATOM 0 H THR A 76 6.007 -5.442 3.134 1.00 0.00 H new ATOM 0 HA THR A 76 8.244 -4.748 4.885 1.00 0.00 H new ATOM 0 HB THR A 76 7.364 -7.457 3.815 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.413 -7.680 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.696 -8.346 5.694 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.696 -7.392 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.184 -6.690 6.125 1.00 0.00 H new ATOM 1076 N VAL A 77 9.953 -4.638 3.087 1.00 0.00 N ATOM 1077 CA VAL A 77 11.021 -4.613 2.094 1.00 0.00 C ATOM 1078 C VAL A 77 12.358 -5.001 2.716 1.00 0.00 C ATOM 1079 O VAL A 77 12.484 -5.093 3.937 1.00 0.00 O ATOM 1080 CB VAL A 77 11.152 -3.223 1.446 1.00 0.00 C ATOM 1081 CG1 VAL A 77 9.779 -2.621 1.189 1.00 0.00 C ATOM 1082 CG2 VAL A 77 11.991 -2.304 2.321 1.00 0.00 C ATOM 0 H VAL A 77 10.075 -3.976 3.854 1.00 0.00 H new ATOM 0 HA VAL A 77 10.757 -5.340 1.326 1.00 0.00 H new ATOM 0 HB VAL A 77 11.658 -3.335 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.892 -1.639 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.216 -3.271 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.243 -2.521 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.073 -1.326 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 77 11.516 -2.196 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.986 -2.731 2.447 1.00 0.00 H new ATOM 1092 N LYS A 78 13.355 -5.226 1.868 1.00 0.00 N ATOM 1093 CA LYS A 78 14.685 -5.602 2.332 1.00 0.00 C ATOM 1094 C LYS A 78 15.764 -5.008 1.432 1.00 0.00 C ATOM 1095 O LYS A 78 15.580 -4.892 0.220 1.00 0.00 O ATOM 1096 CB LYS A 78 14.822 -7.125 2.373 1.00 0.00 C ATOM 1097 CG LYS A 78 14.413 -7.737 3.702 1.00 0.00 C ATOM 1098 CD LYS A 78 14.367 -9.254 3.626 1.00 0.00 C ATOM 1099 CE LYS A 78 13.025 -9.746 3.107 1.00 0.00 C ATOM 1100 NZ LYS A 78 12.752 -11.151 3.519 1.00 0.00 N ATOM 0 H LYS A 78 13.267 -5.154 0.854 1.00 0.00 H new ATOM 0 HA LYS A 78 14.817 -5.204 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.212 -7.558 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.857 -7.394 2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.117 -7.432 4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.434 -7.356 3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.164 -9.611 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.552 -9.675 4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.232 -9.098 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.009 -9.677 2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.828 -11.449 3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.495 -11.774 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.742 -11.213 4.557 1.00 0.00 H new ATOM 1114 N ASP A 79 16.889 -4.634 2.031 1.00 0.00 N ATOM 1115 CA ASP A 79 17.998 -4.055 1.283 1.00 0.00 C ATOM 1116 C ASP A 79 19.108 -5.080 1.076 1.00 0.00 C ATOM 1117 O ASP A 79 19.057 -6.182 1.621 1.00 0.00 O ATOM 1118 CB ASP A 79 18.549 -2.829 2.013 1.00 0.00 C ATOM 1119 CG ASP A 79 17.464 -1.832 2.372 1.00 0.00 C ATOM 1120 OD1 ASP A 79 16.561 -2.195 3.154 1.00 0.00 O ATOM 1121 OD2 ASP A 79 17.517 -0.690 1.869 1.00 0.00 O ATOM 0 H ASP A 79 17.057 -4.722 3.033 1.00 0.00 H new ATOM 0 HA ASP A 79 17.624 -3.749 0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 79 19.059 -3.150 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 79 19.294 -2.340 1.385 1.00 0.00 H new ATOM 1126 N GLU A 80 20.109 -4.709 0.284 1.00 0.00 N ATOM 1127 CA GLU A 80 21.231 -5.598 0.003 1.00 0.00 C ATOM 1128 C GLU A 80 21.815 -6.161 1.296 1.00 0.00 C ATOM 1129 O GLU A 80 22.285 -7.298 1.334 1.00 0.00 O ATOM 1130 CB GLU A 80 22.316 -4.856 -0.780 1.00 0.00 C ATOM 1131 CG GLU A 80 22.074 -4.829 -2.279 1.00 0.00 C ATOM 1132 CD GLU A 80 23.331 -4.521 -3.068 1.00 0.00 C ATOM 1133 OE1 GLU A 80 24.124 -3.670 -2.613 1.00 0.00 O ATOM 1134 OE2 GLU A 80 23.523 -5.132 -4.140 1.00 0.00 O ATOM 0 H GLU A 80 20.166 -3.800 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 80 20.862 -6.427 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.381 -3.832 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 80 23.279 -5.327 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.678 -5.793 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.314 -4.081 -2.507 1.00 0.00 H new ATOM 1141 N ARG A 81 21.783 -5.356 2.353 1.00 0.00 N ATOM 1142 CA ARG A 81 22.311 -5.771 3.646 1.00 0.00 C ATOM 1143 C ARG A 81 21.266 -6.559 4.432 1.00 0.00 C ATOM 1144 O ARG A 81 21.322 -6.630 5.659 1.00 0.00 O ATOM 1145 CB ARG A 81 22.759 -4.552 4.454 1.00 0.00 C ATOM 1146 CG ARG A 81 24.116 -4.009 4.034 1.00 0.00 C ATOM 1147 CD ARG A 81 24.419 -2.682 4.713 1.00 0.00 C ATOM 1148 NE ARG A 81 25.325 -1.857 3.919 1.00 0.00 N ATOM 1149 CZ ARG A 81 25.491 -0.553 4.113 1.00 0.00 C ATOM 1150 NH1 ARG A 81 24.815 0.070 5.068 1.00 0.00 N ATOM 1151 NH2 ARG A 81 26.335 0.131 3.350 1.00 0.00 N ATOM 0 H ARG A 81 21.397 -4.412 2.339 1.00 0.00 H new ATOM 0 HA ARG A 81 23.171 -6.416 3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 81 22.013 -3.764 4.350 1.00 0.00 H new ATOM 0 HB3 ARG A 81 22.795 -4.820 5.510 1.00 0.00 H new ATOM 0 HG2 ARG A 81 24.892 -4.733 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 81 24.138 -3.879 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.488 -2.140 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.861 -2.868 5.692 1.00 0.00 H new ATOM 0 HE ARG A 81 25.859 -2.306 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 81 24.165 -0.452 5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 81 24.945 1.071 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 81 26.857 -0.344 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 81 26.462 1.132 3.500 1.00 0.00 H new ATOM 1165 N ASN A 82 20.314 -7.147 3.716 1.00 0.00 N ATOM 1166 CA ASN A 82 19.256 -7.929 4.346 1.00 0.00 C ATOM 1167 C ASN A 82 18.573 -7.128 5.451 1.00 0.00 C ATOM 1168 O ASN A 82 18.078 -7.693 6.427 1.00 0.00 O ATOM 1169 CB ASN A 82 19.825 -9.228 4.919 1.00 0.00 C ATOM 1170 CG ASN A 82 18.744 -10.144 5.460 1.00 0.00 C ATOM 1171 OD1 ASN A 82 17.797 -10.489 4.754 1.00 0.00 O ATOM 1172 ND2 ASN A 82 18.882 -10.541 6.720 1.00 0.00 N ATOM 0 H ASN A 82 20.253 -7.097 2.699 1.00 0.00 H new ATOM 0 HA ASN A 82 18.514 -8.171 3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.385 -9.750 4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 82 20.530 -8.992 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.186 -11.157 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.684 -10.230 7.268 1.00 0.00 H new ATOM 1179 N LEU A 83 18.551 -5.810 5.291 1.00 0.00 N ATOM 1180 CA LEU A 83 17.928 -4.930 6.274 1.00 0.00 C ATOM 1181 C LEU A 83 16.408 -5.053 6.230 1.00 0.00 C ATOM 1182 O LEU A 83 15.775 -4.673 5.246 1.00 0.00 O ATOM 1183 CB LEU A 83 18.342 -3.479 6.024 1.00 0.00 C ATOM 1184 CG LEU A 83 19.697 -3.059 6.593 1.00 0.00 C ATOM 1185 CD1 LEU A 83 20.149 -1.742 5.981 1.00 0.00 C ATOM 1186 CD2 LEU A 83 19.628 -2.949 8.109 1.00 0.00 C ATOM 0 H LEU A 83 18.957 -5.327 4.490 1.00 0.00 H new ATOM 0 HA LEU A 83 18.269 -5.233 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.353 -3.306 4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.576 -2.827 6.444 1.00 0.00 H new ATOM 0 HG LEU A 83 20.429 -3.825 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 83 21.115 -1.459 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.239 -1.855 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.416 -0.966 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.602 -2.649 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.882 -2.204 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.351 -3.915 8.532 1.00 0.00 H new ATOM 1198 N GLN A 84 15.831 -5.584 7.303 1.00 0.00 N ATOM 1199 CA GLN A 84 14.385 -5.754 7.386 1.00 0.00 C ATOM 1200 C GLN A 84 13.719 -4.497 7.934 1.00 0.00 C ATOM 1201 O GLN A 84 14.169 -3.928 8.929 1.00 0.00 O ATOM 1202 CB GLN A 84 14.043 -6.954 8.271 1.00 0.00 C ATOM 1203 CG GLN A 84 12.654 -7.519 8.019 1.00 0.00 C ATOM 1204 CD GLN A 84 11.592 -6.860 8.877 1.00 0.00 C ATOM 1205 OE1 GLN A 84 11.865 -6.419 9.994 1.00 0.00 O ATOM 1206 NE2 GLN A 84 10.371 -6.789 8.359 1.00 0.00 N ATOM 0 H GLN A 84 16.342 -5.904 8.126 1.00 0.00 H new ATOM 0 HA GLN A 84 14.007 -5.933 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 84 14.781 -7.739 8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.122 -6.658 9.317 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.398 -7.389 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.661 -8.591 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.189 -7.167 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.616 -6.356 8.891 1.00 0.00 H new ATOM 1215 N SER A 85 12.646 -4.068 7.278 1.00 0.00 N ATOM 1216 CA SER A 85 11.920 -2.875 7.698 1.00 0.00 C ATOM 1217 C SER A 85 10.415 -3.071 7.540 1.00 0.00 C ATOM 1218 O SER A 85 9.964 -4.074 6.989 1.00 0.00 O ATOM 1219 CB SER A 85 12.375 -1.662 6.883 1.00 0.00 C ATOM 1220 OG SER A 85 12.264 -1.911 5.492 1.00 0.00 O ATOM 0 H SER A 85 12.260 -4.528 6.454 1.00 0.00 H new ATOM 0 HA SER A 85 12.138 -2.699 8.751 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.772 -0.794 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.409 -1.420 7.131 1.00 0.00 H new ATOM 0 HG SER A 85 12.704 -1.190 4.995 1.00 0.00 H new ATOM 1226 N GLN A 86 9.644 -2.105 8.029 1.00 0.00 N ATOM 1227 CA GLN A 86 8.190 -2.171 7.944 1.00 0.00 C ATOM 1228 C GLN A 86 7.587 -0.775 7.826 1.00 0.00 C ATOM 1229 O GLN A 86 8.068 0.173 8.446 1.00 0.00 O ATOM 1230 CB GLN A 86 7.618 -2.885 9.170 1.00 0.00 C ATOM 1231 CG GLN A 86 6.294 -3.582 8.906 1.00 0.00 C ATOM 1232 CD GLN A 86 5.690 -4.184 10.160 1.00 0.00 C ATOM 1233 OE1 GLN A 86 5.003 -3.501 10.920 1.00 0.00 O ATOM 1234 NE2 GLN A 86 5.943 -5.468 10.382 1.00 0.00 N ATOM 0 H GLN A 86 10.002 -1.268 8.488 1.00 0.00 H new ATOM 0 HA GLN A 86 7.929 -2.736 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.342 -3.620 9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.483 -2.160 9.972 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.592 -2.868 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.443 -4.368 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.518 -5.996 9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.563 -5.927 11.210 1.00 0.00 H new ATOM 1243 N SER A 87 6.532 -0.657 7.027 1.00 0.00 N ATOM 1244 CA SER A 87 5.866 0.624 6.825 1.00 0.00 C ATOM 1245 C SER A 87 4.404 0.421 6.437 1.00 0.00 C ATOM 1246 O SER A 87 4.099 0.008 5.319 1.00 0.00 O ATOM 1247 CB SER A 87 6.585 1.431 5.742 1.00 0.00 C ATOM 1248 OG SER A 87 5.820 2.559 5.355 1.00 0.00 O ATOM 0 H SER A 87 6.120 -1.433 6.509 1.00 0.00 H new ATOM 0 HA SER A 87 5.902 1.176 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.557 1.756 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.770 0.798 4.874 1.00 0.00 H new ATOM 0 HG SER A 87 6.384 3.360 5.379 1.00 0.00 H new ATOM 1254 N SER A 88 3.505 0.715 7.371 1.00 0.00 N ATOM 1255 CA SER A 88 2.075 0.562 7.129 1.00 0.00 C ATOM 1256 C SER A 88 1.437 1.902 6.778 1.00 0.00 C ATOM 1257 O SER A 88 1.888 2.955 7.229 1.00 0.00 O ATOM 1258 CB SER A 88 1.390 -0.035 8.360 1.00 0.00 C ATOM 1259 OG SER A 88 1.781 0.644 9.541 1.00 0.00 O ATOM 0 H SER A 88 3.741 1.060 8.301 1.00 0.00 H new ATOM 0 HA SER A 88 1.944 -0.115 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.308 0.026 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.643 -1.092 8.444 1.00 0.00 H new ATOM 0 HG SER A 88 1.328 0.245 10.313 1.00 0.00 H new ATOM 1265 N VAL A 89 0.383 1.855 5.969 1.00 0.00 N ATOM 1266 CA VAL A 89 -0.319 3.064 5.556 1.00 0.00 C ATOM 1267 C VAL A 89 -1.808 2.969 5.871 1.00 0.00 C ATOM 1268 O VAL A 89 -2.451 1.961 5.582 1.00 0.00 O ATOM 1269 CB VAL A 89 -0.140 3.331 4.050 1.00 0.00 C ATOM 1270 CG1 VAL A 89 -0.643 2.150 3.234 1.00 0.00 C ATOM 1271 CG2 VAL A 89 -0.856 4.611 3.647 1.00 0.00 C ATOM 0 H VAL A 89 -0.003 0.992 5.587 1.00 0.00 H new ATOM 0 HA VAL A 89 0.117 3.890 6.118 1.00 0.00 H new ATOM 0 HB VAL A 89 0.923 3.456 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.508 2.357 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.081 1.256 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.701 1.989 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.719 4.784 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.920 4.517 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.443 5.450 4.207 1.00 0.00 H new ATOM 1281 N ASN A 90 -2.351 4.027 6.464 1.00 0.00 N ATOM 1282 CA ASN A 90 -3.765 4.063 6.818 1.00 0.00 C ATOM 1283 C ASN A 90 -4.620 4.425 5.608 1.00 0.00 C ATOM 1284 O ASN A 90 -4.570 5.552 5.113 1.00 0.00 O ATOM 1285 CB ASN A 90 -4.004 5.070 7.945 1.00 0.00 C ATOM 1286 CG ASN A 90 -3.679 4.498 9.311 1.00 0.00 C ATOM 1287 OD1 ASN A 90 -3.686 3.282 9.504 1.00 0.00 O ATOM 1288 ND2 ASN A 90 -3.393 5.374 10.267 1.00 0.00 N ATOM 0 H ASN A 90 -1.833 4.871 6.709 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.054 3.069 7.160 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.394 5.957 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -5.046 5.391 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.167 5.048 11.207 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.399 6.373 10.062 1.00 0.00 H new ATOM 1295 N VAL A 91 -5.405 3.463 5.135 1.00 0.00 N ATOM 1296 CA VAL A 91 -6.272 3.680 3.983 1.00 0.00 C ATOM 1297 C VAL A 91 -7.727 3.837 4.413 1.00 0.00 C ATOM 1298 O VAL A 91 -8.374 2.870 4.813 1.00 0.00 O ATOM 1299 CB VAL A 91 -6.169 2.519 2.976 1.00 0.00 C ATOM 1300 CG1 VAL A 91 -6.994 2.815 1.733 1.00 0.00 C ATOM 1301 CG2 VAL A 91 -4.715 2.259 2.611 1.00 0.00 C ATOM 0 H VAL A 91 -5.459 2.525 5.532 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.936 4.599 3.502 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.570 1.619 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.909 1.984 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.039 2.948 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.626 3.726 1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.660 1.436 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.286 3.156 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.155 1.999 3.509 1.00 0.00 H new ATOM 1311 N ILE A 92 -8.234 5.062 4.327 1.00 0.00 N ATOM 1312 CA ILE A 92 -9.613 5.346 4.705 1.00 0.00 C ATOM 1313 C ILE A 92 -10.511 5.440 3.477 1.00 0.00 C ATOM 1314 O ILE A 92 -10.196 6.141 2.515 1.00 0.00 O ATOM 1315 CB ILE A 92 -9.718 6.657 5.506 1.00 0.00 C ATOM 1316 CG1 ILE A 92 -8.966 6.532 6.832 1.00 0.00 C ATOM 1317 CG2 ILE A 92 -11.177 7.013 5.750 1.00 0.00 C ATOM 1318 CD1 ILE A 92 -8.410 7.845 7.338 1.00 0.00 C ATOM 0 H ILE A 92 -7.711 5.874 3.999 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.945 4.519 5.332 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.261 7.458 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.638 6.118 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.147 5.823 6.711 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -11.235 7.942 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -11.685 7.139 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -11.657 6.213 6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -7.890 7.680 8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.713 8.251 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.226 8.551 7.492 1.00 0.00 H new ATOM 1330 N VAL A 93 -11.634 4.730 3.516 1.00 0.00 N ATOM 1331 CA VAL A 93 -12.582 4.735 2.408 1.00 0.00 C ATOM 1332 C VAL A 93 -13.906 5.368 2.820 1.00 0.00 C ATOM 1333 O VAL A 93 -14.555 4.917 3.764 1.00 0.00 O ATOM 1334 CB VAL A 93 -12.846 3.309 1.889 1.00 0.00 C ATOM 1335 CG1 VAL A 93 -13.920 3.323 0.812 1.00 0.00 C ATOM 1336 CG2 VAL A 93 -11.561 2.688 1.363 1.00 0.00 C ATOM 0 H VAL A 93 -11.910 4.144 4.304 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.133 5.327 1.610 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.205 2.700 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.093 2.307 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.845 3.725 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.593 3.947 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.766 1.681 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.171 3.296 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.824 2.642 2.165 1.00 0.00 H new ATOM 1346 N LYS A 94 -14.303 6.415 2.105 1.00 0.00 N ATOM 1347 CA LYS A 94 -15.552 7.110 2.393 1.00 0.00 C ATOM 1348 C LYS A 94 -16.542 6.948 1.245 1.00 0.00 C ATOM 1349 O LYS A 94 -16.203 6.410 0.192 1.00 0.00 O ATOM 1350 CB LYS A 94 -15.285 8.596 2.646 1.00 0.00 C ATOM 1351 CG LYS A 94 -14.531 8.868 3.936 1.00 0.00 C ATOM 1352 CD LYS A 94 -13.969 10.280 3.966 1.00 0.00 C ATOM 1353 CE LYS A 94 -12.820 10.401 4.956 1.00 0.00 C ATOM 1354 NZ LYS A 94 -12.483 11.823 5.242 1.00 0.00 N ATOM 0 H LYS A 94 -13.777 6.801 1.321 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.987 6.668 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -14.715 9.002 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.236 9.128 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.198 8.723 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.718 8.149 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.623 10.557 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.759 10.982 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.086 9.897 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.942 9.893 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.323 11.943 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.621 12.087 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.269 12.433 4.941 1.00 0.00 H new ATOM 1368 N GLU A 95 -17.768 7.419 1.456 1.00 0.00 N ATOM 1369 CA GLU A 95 -18.807 7.326 0.437 1.00 0.00 C ATOM 1370 C GLU A 95 -18.871 8.606 -0.393 1.00 0.00 C ATOM 1371 O GLU A 95 -18.373 9.652 0.022 1.00 0.00 O ATOM 1372 CB GLU A 95 -20.166 7.057 1.086 1.00 0.00 C ATOM 1373 CG GLU A 95 -20.377 5.604 1.475 1.00 0.00 C ATOM 1374 CD GLU A 95 -21.837 5.270 1.711 1.00 0.00 C ATOM 1375 OE1 GLU A 95 -22.314 5.468 2.848 1.00 0.00 O ATOM 1376 OE2 GLU A 95 -22.503 4.809 0.760 1.00 0.00 O ATOM 0 H GLU A 95 -18.065 7.868 2.322 1.00 0.00 H new ATOM 0 HA GLU A 95 -18.558 6.496 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.265 7.680 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.955 7.358 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -19.983 4.960 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -19.808 5.387 2.379 1.00 0.00 H new ATOM 1383 N GLU A 96 -19.488 8.513 -1.567 1.00 0.00 N ATOM 1384 CA GLU A 96 -19.616 9.662 -2.455 1.00 0.00 C ATOM 1385 C GLU A 96 -20.123 10.884 -1.694 1.00 0.00 C ATOM 1386 O GLU A 96 -20.939 10.764 -0.780 1.00 0.00 O ATOM 1387 CB GLU A 96 -20.564 9.338 -3.611 1.00 0.00 C ATOM 1388 CG GLU A 96 -20.468 10.316 -4.770 1.00 0.00 C ATOM 1389 CD GLU A 96 -21.158 11.635 -4.479 1.00 0.00 C ATOM 1390 OE1 GLU A 96 -22.236 11.614 -3.849 1.00 0.00 O ATOM 1391 OE2 GLU A 96 -20.620 12.687 -4.882 1.00 0.00 O ATOM 0 H GLU A 96 -19.907 7.654 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.629 9.890 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.349 8.334 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -21.588 9.329 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -19.418 10.502 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -20.912 9.866 -5.658 1.00 0.00 H new ATOM 1398 N SER A 97 -19.633 12.058 -2.078 1.00 0.00 N ATOM 1399 CA SER A 97 -20.033 13.302 -1.430 1.00 0.00 C ATOM 1400 C SER A 97 -21.466 13.671 -1.800 1.00 0.00 C ATOM 1401 O SER A 97 -21.703 14.384 -2.774 1.00 0.00 O ATOM 1402 CB SER A 97 -19.083 14.435 -1.824 1.00 0.00 C ATOM 1403 OG SER A 97 -19.060 15.448 -0.834 1.00 0.00 O ATOM 0 H SER A 97 -18.959 12.174 -2.834 1.00 0.00 H new ATOM 0 HA SER A 97 -19.982 13.154 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.078 14.038 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.395 14.861 -2.777 1.00 0.00 H new ATOM 0 HG SER A 97 -18.445 16.160 -1.108 1.00 0.00 H new ATOM 1409 N GLY A 98 -22.419 13.180 -1.013 1.00 0.00 N ATOM 1410 CA GLY A 98 -23.817 13.469 -1.274 1.00 0.00 C ATOM 1411 C GLY A 98 -24.582 13.819 -0.013 1.00 0.00 C ATOM 1412 O GLY A 98 -24.301 13.306 1.071 1.00 0.00 O ATOM 0 H GLY A 98 -22.248 12.588 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -23.888 14.297 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -24.281 12.604 -1.749 1.00 0.00 H new ATOM 1416 N PRO A 99 -25.572 14.713 -0.145 1.00 0.00 N ATOM 1417 CA PRO A 99 -26.399 15.152 0.983 1.00 0.00 C ATOM 1418 C PRO A 99 -27.328 14.051 1.484 1.00 0.00 C ATOM 1419 O PRO A 99 -27.616 13.094 0.765 1.00 0.00 O ATOM 1420 CB PRO A 99 -27.210 16.311 0.399 1.00 0.00 C ATOM 1421 CG PRO A 99 -27.263 16.037 -1.065 1.00 0.00 C ATOM 1422 CD PRO A 99 -25.962 15.365 -1.407 1.00 0.00 C ATOM 0 HA PRO A 99 -25.795 15.429 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -28.210 16.351 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -26.735 17.270 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -28.110 15.397 -1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -27.386 16.960 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -26.083 14.641 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -25.212 16.085 -1.736 1.00 0.00 H new ATOM 1430 N SER A 100 -27.794 14.193 2.720 1.00 0.00 N ATOM 1431 CA SER A 100 -28.688 13.209 3.318 1.00 0.00 C ATOM 1432 C SER A 100 -30.045 13.213 2.620 1.00 0.00 C ATOM 1433 O SER A 100 -30.993 13.844 3.087 1.00 0.00 O ATOM 1434 CB SER A 100 -28.869 13.492 4.810 1.00 0.00 C ATOM 1435 OG SER A 100 -27.631 13.420 5.497 1.00 0.00 O ATOM 0 H SER A 100 -27.567 14.980 3.327 1.00 0.00 H new ATOM 0 HA SER A 100 -28.238 12.224 3.195 1.00 0.00 H new ATOM 0 HB2 SER A 100 -29.306 14.481 4.945 1.00 0.00 H new ATOM 0 HB3 SER A 100 -29.568 12.773 5.237 1.00 0.00 H new ATOM 0 HG SER A 100 -27.774 13.606 6.448 1.00 0.00 H new ATOM 1441 N SER A 101 -30.129 12.503 1.500 1.00 0.00 N ATOM 1442 CA SER A 101 -31.368 12.427 0.734 1.00 0.00 C ATOM 1443 C SER A 101 -32.456 11.712 1.530 1.00 0.00 C ATOM 1444 O SER A 101 -32.195 11.153 2.595 1.00 0.00 O ATOM 1445 CB SER A 101 -31.130 11.702 -0.591 1.00 0.00 C ATOM 1446 OG SER A 101 -30.694 10.371 -0.374 1.00 0.00 O ATOM 0 H SER A 101 -29.354 11.972 1.102 1.00 0.00 H new ATOM 0 HA SER A 101 -31.702 13.444 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 101 -32.050 11.696 -1.176 1.00 0.00 H new ATOM 0 HB3 SER A 101 -30.384 12.241 -1.175 1.00 0.00 H new ATOM 0 HG SER A 101 -30.551 9.929 -1.237 1.00 0.00 H new ATOM 1452 N GLY A 102 -33.677 11.734 1.005 1.00 0.00 N ATOM 1453 CA GLY A 102 -34.786 11.084 1.678 1.00 0.00 C ATOM 1454 C GLY A 102 -36.027 11.955 1.723 1.00 0.00 C ATOM 1455 O GLY A 102 -36.585 12.305 0.684 1.00 0.00 O ATOM 0 H GLY A 102 -33.918 12.191 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -35.020 10.150 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -34.489 10.826 2.695 1.00 0.00 H new TER 1459 GLY A 102