USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 967 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 144 MET CE :methyl 175:sc= 0 (180deg=-0.0318) USER MOD Set 1.2: A 145 MET CE :methyl -151:sc= -0.0404 (180deg=-0.843) USER MOD Set 2.1: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 72 MET CE :methyl -177:sc= -0.0346 (180deg=-0.064) USER MOD Set 3.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 8 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 85:sc= 0.0438 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -58:sc= 1.17 USER MOD Single : A 28 THR OG1 : rot -65:sc= 0.371 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 49 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.166 K(o=0.17,f=-1.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.56 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0264 K(o=0.026,f=-3.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.026) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= -0.0645 (180deg=-0.346) USER MOD Single : A 117 THR OG1 : rot -46:sc= 1.09 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.521 K(o=-0.52,f=-9.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0.665 K(o=0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -15.726 18.442 0.883 1.00 0.00 N ATOM 59 CA THR A 5 -16.084 19.092 -0.339 1.00 0.00 C ATOM 60 C THR A 5 -17.082 18.308 -1.119 1.00 0.00 C ATOM 61 O THR A 5 -17.194 17.092 -0.968 1.00 0.00 O ATOM 62 CB THR A 5 -14.903 19.510 -1.165 1.00 0.00 C ATOM 63 OG1 THR A 5 -14.244 18.390 -1.738 1.00 0.00 O ATOM 64 CG2 THR A 5 -13.892 20.332 -0.348 1.00 0.00 C ATOM 0 HA THR A 5 -16.571 20.023 -0.048 1.00 0.00 H new ATOM 0 HB THR A 5 -15.297 20.138 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.481 18.697 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.053 20.614 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.377 21.231 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.528 19.735 0.488 1.00 0.00 H new ATOM 72 N GLU A 6 -17.906 18.965 -1.954 1.00 0.00 N ATOM 73 CA GLU A 6 -18.923 18.304 -2.713 1.00 0.00 C ATOM 74 C GLU A 6 -18.416 17.565 -3.904 1.00 0.00 C ATOM 75 O GLU A 6 -19.058 16.657 -4.430 1.00 0.00 O ATOM 76 CB GLU A 6 -19.929 19.356 -3.210 1.00 0.00 C ATOM 77 CG GLU A 6 -20.584 20.306 -2.205 1.00 0.00 C ATOM 78 CD GLU A 6 -21.860 20.994 -2.668 1.00 0.00 C ATOM 79 OE1 GLU A 6 -21.773 22.094 -3.277 1.00 0.00 O ATOM 80 OE2 GLU A 6 -22.970 20.451 -2.425 1.00 0.00 O ATOM 0 H GLU A 6 -17.866 19.973 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.371 17.569 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.420 19.968 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.729 18.825 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.807 19.745 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.859 21.074 -1.935 1.00 0.00 H new ATOM 87 N GLU A 7 -17.197 17.890 -4.369 1.00 0.00 N ATOM 88 CA GLU A 7 -16.378 17.117 -5.250 1.00 0.00 C ATOM 89 C GLU A 7 -15.921 15.878 -4.560 1.00 0.00 C ATOM 90 O GLU A 7 -16.130 14.787 -5.086 1.00 0.00 O ATOM 91 CB GLU A 7 -15.109 17.926 -5.568 1.00 0.00 C ATOM 92 CG GLU A 7 -15.494 18.824 -6.746 1.00 0.00 C ATOM 93 CD GLU A 7 -14.314 19.666 -7.210 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.987 20.642 -6.484 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.663 19.342 -8.239 1.00 0.00 O ATOM 0 H GLU A 7 -16.748 18.767 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.951 16.876 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.793 18.517 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.278 17.270 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.852 18.210 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.317 19.477 -6.454 1.00 0.00 H new ATOM 102 N GLN A 8 -15.284 15.882 -3.375 1.00 0.00 N ATOM 103 CA GLN A 8 -14.960 14.693 -2.649 1.00 0.00 C ATOM 104 C GLN A 8 -16.103 13.775 -2.383 1.00 0.00 C ATOM 105 O GLN A 8 -15.956 12.572 -2.588 1.00 0.00 O ATOM 106 CB GLN A 8 -14.196 14.976 -1.345 1.00 0.00 C ATOM 107 CG GLN A 8 -12.688 14.888 -1.586 1.00 0.00 C ATOM 108 CD GLN A 8 -11.893 14.406 -0.380 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.097 14.578 0.821 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.789 13.726 -0.789 1.00 0.00 N ATOM 0 H GLN A 8 -14.985 16.738 -2.908 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.301 14.164 -3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.455 15.967 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.492 14.259 -0.579 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.503 14.214 -2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.320 15.871 -1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.618 13.582 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.132 13.359 -0.101 1.00 0.00 H new ATOM 119 N ILE A 9 -17.280 14.257 -1.945 1.00 0.00 N ATOM 120 CA ILE A 9 -18.418 13.435 -1.670 1.00 0.00 C ATOM 121 C ILE A 9 -18.897 12.770 -2.914 1.00 0.00 C ATOM 122 O ILE A 9 -19.263 11.596 -2.882 1.00 0.00 O ATOM 123 CB ILE A 9 -19.521 14.191 -0.990 1.00 0.00 C ATOM 124 CG1 ILE A 9 -19.157 14.734 0.403 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.861 13.445 -0.879 1.00 0.00 C ATOM 126 CD1 ILE A 9 -20.073 15.763 1.063 1.00 0.00 C ATOM 0 H ILE A 9 -17.445 15.249 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.099 12.663 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 9 -19.653 15.026 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.081 13.882 1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.163 15.176 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -21.589 14.078 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -21.225 13.200 -1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.720 12.527 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -19.669 16.037 2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -20.136 16.651 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -21.068 15.336 1.189 1.00 0.00 H new ATOM 138 N ALA A 10 -18.902 13.458 -4.070 1.00 0.00 N ATOM 139 CA ALA A 10 -19.224 12.871 -5.333 1.00 0.00 C ATOM 140 C ALA A 10 -18.303 11.781 -5.760 1.00 0.00 C ATOM 141 O ALA A 10 -18.789 10.745 -6.211 1.00 0.00 O ATOM 142 CB ALA A 10 -19.183 13.863 -6.507 1.00 0.00 C ATOM 0 H ALA A 10 -18.676 14.451 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.229 12.497 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.438 13.344 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.900 14.665 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.181 14.284 -6.592 1.00 0.00 H new ATOM 148 N GLU A 11 -16.980 11.927 -5.567 1.00 0.00 N ATOM 149 CA GLU A 11 -16.146 10.783 -5.774 1.00 0.00 C ATOM 150 C GLU A 11 -16.406 9.574 -4.943 1.00 0.00 C ATOM 151 O GLU A 11 -16.370 8.445 -5.430 1.00 0.00 O ATOM 152 CB GLU A 11 -14.670 11.162 -5.566 1.00 0.00 C ATOM 153 CG GLU A 11 -14.179 12.206 -6.572 1.00 0.00 C ATOM 154 CD GLU A 11 -12.685 12.395 -6.790 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.100 13.013 -5.860 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.165 11.919 -7.834 1.00 0.00 O ATOM 0 H GLU A 11 -16.507 12.785 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.393 10.497 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.537 11.548 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.054 10.266 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.621 11.961 -7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.589 13.169 -6.269 1.00 0.00 H new ATOM 163 N PHE A 12 -16.617 9.733 -3.624 1.00 0.00 N ATOM 164 CA PHE A 12 -16.982 8.694 -2.712 1.00 0.00 C ATOM 165 C PHE A 12 -18.270 8.051 -3.097 1.00 0.00 C ATOM 166 O PHE A 12 -18.423 6.835 -3.206 1.00 0.00 O ATOM 167 CB PHE A 12 -17.080 9.081 -1.227 1.00 0.00 C ATOM 168 CG PHE A 12 -15.691 9.328 -0.746 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.876 8.229 -0.606 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.275 10.567 -0.320 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.687 8.373 0.068 1.00 0.00 C ATOM 172 CE2 PHE A 12 -14.025 10.744 0.226 1.00 0.00 C ATOM 173 CZ PHE A 12 -13.236 9.631 0.395 1.00 0.00 C ATOM 0 H PHE A 12 -16.527 10.641 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.139 8.009 -2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.695 9.972 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.551 8.284 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.164 7.273 -1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.939 11.413 -0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.109 7.502 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.675 11.725 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.239 9.747 0.794 1.00 0.00 H new ATOM 183 N LYS A 13 -19.348 8.831 -3.295 1.00 0.00 N ATOM 184 CA LYS A 13 -20.676 8.422 -3.634 1.00 0.00 C ATOM 185 C LYS A 13 -20.698 7.683 -4.928 1.00 0.00 C ATOM 186 O LYS A 13 -21.402 6.695 -5.129 1.00 0.00 O ATOM 187 CB LYS A 13 -21.549 9.679 -3.782 1.00 0.00 C ATOM 188 CG LYS A 13 -23.063 9.460 -3.794 1.00 0.00 C ATOM 189 CD LYS A 13 -23.854 10.707 -3.396 1.00 0.00 C ATOM 190 CE LYS A 13 -25.247 10.481 -2.803 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.657 11.748 -2.158 1.00 0.00 N ATOM 0 H LYS A 13 -19.281 9.845 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.050 7.766 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.309 10.359 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.269 10.182 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.370 9.145 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.312 8.647 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.263 11.267 -2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.959 11.339 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.956 10.198 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.229 9.668 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.603 11.635 -1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.976 11.993 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.680 12.507 -2.868 1.00 0.00 H new ATOM 205 N GLU A 14 -19.778 8.104 -5.813 1.00 0.00 N ATOM 206 CA GLU A 14 -19.499 7.467 -7.063 1.00 0.00 C ATOM 207 C GLU A 14 -18.979 6.082 -6.888 1.00 0.00 C ATOM 208 O GLU A 14 -19.545 5.139 -7.440 1.00 0.00 O ATOM 209 CB GLU A 14 -18.478 8.145 -7.991 1.00 0.00 C ATOM 210 CG GLU A 14 -18.530 7.665 -9.443 1.00 0.00 C ATOM 211 CD GLU A 14 -19.606 8.292 -10.318 1.00 0.00 C ATOM 212 OE1 GLU A 14 -19.572 9.533 -10.532 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.515 7.577 -10.819 1.00 0.00 O ATOM 0 H GLU A 14 -19.200 8.929 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.483 7.519 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.645 9.222 -7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.476 7.970 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.560 7.856 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.675 6.585 -9.442 1.00 0.00 H new ATOM 220 N ALA A 15 -17.898 5.899 -6.109 1.00 0.00 N ATOM 221 CA ALA A 15 -17.348 4.610 -5.824 1.00 0.00 C ATOM 222 C ALA A 15 -18.292 3.799 -5.005 1.00 0.00 C ATOM 223 O ALA A 15 -18.342 2.582 -5.172 1.00 0.00 O ATOM 224 CB ALA A 15 -15.992 4.882 -5.152 1.00 0.00 C ATOM 0 H ALA A 15 -17.393 6.667 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.193 4.005 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.512 3.935 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.354 5.445 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.147 5.459 -4.240 1.00 0.00 H new ATOM 230 N PHE A 16 -19.067 4.373 -4.067 1.00 0.00 N ATOM 231 CA PHE A 16 -20.059 3.585 -3.404 1.00 0.00 C ATOM 232 C PHE A 16 -21.042 2.998 -4.358 1.00 0.00 C ATOM 233 O PHE A 16 -21.347 1.807 -4.335 1.00 0.00 O ATOM 234 CB PHE A 16 -20.685 4.562 -2.394 1.00 0.00 C ATOM 235 CG PHE A 16 -21.531 3.861 -1.389 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.692 3.237 -1.780 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.064 3.728 -0.102 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.473 2.602 -0.842 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.798 3.014 0.815 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.055 2.577 0.467 1.00 0.00 C ATOM 0 H PHE A 16 -19.012 5.349 -3.775 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.646 2.707 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.894 5.110 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.289 5.296 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -22.989 3.245 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.127 4.181 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.401 2.130 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.394 2.799 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.722 2.209 1.233 1.00 0.00 H new ATOM 250 N SER A 17 -21.527 3.797 -5.326 1.00 0.00 N ATOM 251 CA SER A 17 -22.530 3.429 -6.276 1.00 0.00 C ATOM 252 C SER A 17 -21.999 2.507 -7.320 1.00 0.00 C ATOM 253 O SER A 17 -22.770 1.619 -7.679 1.00 0.00 O ATOM 254 CB SER A 17 -23.173 4.651 -6.952 1.00 0.00 C ATOM 255 OG SER A 17 -24.053 5.365 -6.096 1.00 0.00 O ATOM 0 H SER A 17 -21.199 4.755 -5.452 1.00 0.00 H new ATOM 0 HA SER A 17 -23.298 2.908 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.387 5.323 -7.297 1.00 0.00 H new ATOM 0 HB3 SER A 17 -23.722 4.323 -7.835 1.00 0.00 H new ATOM 0 HG SER A 17 -23.540 6.007 -5.561 1.00 0.00 H new ATOM 261 N LEU A 18 -20.719 2.529 -7.732 1.00 0.00 N ATOM 262 CA LEU A 18 -20.127 1.410 -8.397 1.00 0.00 C ATOM 263 C LEU A 18 -20.224 0.069 -7.754 1.00 0.00 C ATOM 264 O LEU A 18 -20.417 -0.944 -8.425 1.00 0.00 O ATOM 265 CB LEU A 18 -18.661 1.732 -8.734 1.00 0.00 C ATOM 266 CG LEU A 18 -18.486 2.959 -9.644 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.054 3.515 -9.728 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.948 2.645 -11.077 1.00 0.00 C ATOM 0 H LEU A 18 -20.093 3.324 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.748 1.289 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.113 1.899 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.211 0.865 -9.218 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.103 3.724 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.037 4.378 -10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.722 3.817 -8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.387 2.745 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.815 3.527 -11.704 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.356 1.822 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.001 2.363 -11.066 1.00 0.00 H new ATOM 280 N PHE A 19 -20.104 0.005 -6.416 1.00 0.00 N ATOM 281 CA PHE A 19 -20.252 -1.209 -5.675 1.00 0.00 C ATOM 282 C PHE A 19 -21.671 -1.631 -5.503 1.00 0.00 C ATOM 283 O PHE A 19 -21.923 -2.757 -5.929 1.00 0.00 O ATOM 284 CB PHE A 19 -19.570 -1.162 -4.297 1.00 0.00 C ATOM 285 CG PHE A 19 -18.112 -1.463 -4.342 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.710 -2.764 -4.538 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.185 -0.530 -3.941 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.364 -3.041 -4.520 1.00 0.00 C ATOM 289 CE2 PHE A 19 -15.843 -0.817 -3.858 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.430 -2.064 -4.263 1.00 0.00 C ATOM 0 H PHE A 19 -19.899 0.818 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.746 -1.953 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.715 -0.173 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.059 -1.876 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.434 -3.548 -4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.523 0.463 -3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.031 -4.050 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.138 -0.088 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.377 -2.276 -4.379 1.00 0.00 H new ATOM 300 N ASP A 20 -22.547 -0.709 -5.063 1.00 0.00 N ATOM 301 CA ASP A 20 -23.878 -0.995 -4.627 1.00 0.00 C ATOM 302 C ASP A 20 -24.669 -1.313 -5.850 1.00 0.00 C ATOM 303 O ASP A 20 -25.012 -0.494 -6.702 1.00 0.00 O ATOM 304 CB ASP A 20 -24.404 0.189 -3.798 1.00 0.00 C ATOM 305 CG ASP A 20 -25.684 -0.239 -3.094 1.00 0.00 C ATOM 306 OD1 ASP A 20 -25.955 -1.464 -2.980 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.357 0.666 -2.533 1.00 0.00 O ATOM 0 H ASP A 20 -22.315 0.283 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.945 -1.855 -3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.657 0.500 -3.068 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.596 1.046 -4.443 1.00 0.00 H new ATOM 312 N LYS A 21 -25.030 -2.601 -5.991 1.00 0.00 N ATOM 313 CA LYS A 21 -25.616 -3.056 -7.214 1.00 0.00 C ATOM 314 C LYS A 21 -27.101 -2.939 -7.255 1.00 0.00 C ATOM 315 O LYS A 21 -27.645 -2.563 -8.292 1.00 0.00 O ATOM 316 CB LYS A 21 -25.262 -4.547 -7.347 1.00 0.00 C ATOM 317 CG LYS A 21 -25.718 -5.144 -8.679 1.00 0.00 C ATOM 318 CD LYS A 21 -25.572 -6.663 -8.781 1.00 0.00 C ATOM 319 CE LYS A 21 -25.827 -7.120 -10.219 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.393 -8.481 -10.353 1.00 0.00 N ATOM 0 H LYS A 21 -24.919 -3.316 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.228 -2.433 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.184 -4.671 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.723 -5.100 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.763 -4.881 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.145 -4.683 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.572 -6.962 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.276 -7.150 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.506 -6.412 -10.694 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -24.887 -7.078 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.531 -8.702 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.739 -9.172 -9.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -27.308 -8.527 -9.860 1.00 0.00 H new ATOM 334 N ASP A 22 -27.844 -3.303 -6.195 1.00 0.00 N ATOM 335 CA ASP A 22 -29.272 -3.241 -6.244 1.00 0.00 C ATOM 336 C ASP A 22 -29.664 -1.806 -6.162 1.00 0.00 C ATOM 337 O ASP A 22 -30.561 -1.366 -6.879 1.00 0.00 O ATOM 338 CB ASP A 22 -29.962 -4.053 -5.135 1.00 0.00 C ATOM 339 CG ASP A 22 -29.171 -4.272 -3.854 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.256 -3.486 -3.490 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.424 -5.235 -3.081 1.00 0.00 O ATOM 0 H ASP A 22 -27.461 -3.638 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.603 -3.693 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.895 -3.552 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.226 -5.029 -5.542 1.00 0.00 H new ATOM 346 N GLY A 23 -28.898 -1.045 -5.360 1.00 0.00 N ATOM 347 CA GLY A 23 -28.966 0.374 -5.193 1.00 0.00 C ATOM 348 C GLY A 23 -29.689 0.996 -4.048 1.00 0.00 C ATOM 349 O GLY A 23 -30.551 1.859 -4.205 1.00 0.00 O ATOM 0 H GLY A 23 -28.169 -1.460 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.939 0.736 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.410 0.778 -6.103 1.00 0.00 H new ATOM 353 N ASP A 24 -29.401 0.538 -2.817 1.00 0.00 N ATOM 354 CA ASP A 24 -30.179 0.782 -1.642 1.00 0.00 C ATOM 355 C ASP A 24 -29.488 1.780 -0.778 1.00 0.00 C ATOM 356 O ASP A 24 -30.156 2.550 -0.090 1.00 0.00 O ATOM 357 CB ASP A 24 -30.403 -0.542 -0.893 1.00 0.00 C ATOM 358 CG ASP A 24 -29.208 -1.212 -0.229 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.578 -2.036 -0.943 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.876 -1.014 0.971 1.00 0.00 O ATOM 0 H ASP A 24 -28.578 -0.035 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.151 1.190 -1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.154 -0.364 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.832 -1.253 -1.598 1.00 0.00 H new ATOM 365 N GLY A 25 -28.149 1.763 -0.652 1.00 0.00 N ATOM 366 CA GLY A 25 -27.446 2.515 0.341 1.00 0.00 C ATOM 367 C GLY A 25 -26.515 1.765 1.230 1.00 0.00 C ATOM 368 O GLY A 25 -25.866 2.458 2.011 1.00 0.00 O ATOM 0 H GLY A 25 -27.539 1.212 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.876 3.294 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.182 3.017 0.969 1.00 0.00 H new ATOM 372 N THR A 26 -26.384 0.433 1.092 1.00 0.00 N ATOM 373 CA THR A 26 -25.362 -0.300 1.772 1.00 0.00 C ATOM 374 C THR A 26 -24.727 -1.319 0.890 1.00 0.00 C ATOM 375 O THR A 26 -25.316 -1.746 -0.102 1.00 0.00 O ATOM 376 CB THR A 26 -25.934 -0.990 2.975 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.084 -1.779 2.709 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.240 0.054 4.062 1.00 0.00 C ATOM 0 H THR A 26 -26.991 -0.139 0.505 1.00 0.00 H new ATOM 0 HA THR A 26 -24.600 0.418 2.074 1.00 0.00 H new ATOM 0 HB THR A 26 -25.176 -1.695 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.783 -1.216 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.656 -0.444 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.321 0.570 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.960 0.777 3.679 1.00 0.00 H new ATOM 386 N ILE A 27 -23.531 -1.783 1.292 1.00 0.00 N ATOM 387 CA ILE A 27 -22.681 -2.592 0.473 1.00 0.00 C ATOM 388 C ILE A 27 -22.399 -3.843 1.231 1.00 0.00 C ATOM 389 O ILE A 27 -21.925 -3.872 2.366 1.00 0.00 O ATOM 390 CB ILE A 27 -21.331 -2.052 0.104 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.425 -0.554 -0.232 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.771 -2.912 -1.041 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.032 -0.041 -0.593 1.00 0.00 C ATOM 0 H ILE A 27 -23.143 -1.590 2.215 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.235 -2.688 -0.461 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.635 -2.116 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.112 -0.396 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.822 -0.001 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.788 -2.539 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.684 -3.947 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.443 -2.860 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.086 1.021 -0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.360 -0.188 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.655 -0.589 -1.456 1.00 0.00 H new ATOM 405 N THR A 28 -22.685 -4.959 0.538 1.00 0.00 N ATOM 406 CA THR A 28 -22.564 -6.281 1.069 1.00 0.00 C ATOM 407 C THR A 28 -21.367 -6.913 0.448 1.00 0.00 C ATOM 408 O THR A 28 -20.710 -6.483 -0.499 1.00 0.00 O ATOM 409 CB THR A 28 -23.741 -7.166 0.780 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.036 -7.216 -0.608 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.988 -6.894 1.636 1.00 0.00 C ATOM 0 H THR A 28 -23.013 -4.940 -0.428 1.00 0.00 H new ATOM 0 HA THR A 28 -22.492 -6.182 2.152 1.00 0.00 H new ATOM 0 HB THR A 28 -23.422 -8.161 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.321 -6.330 -0.914 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.782 -7.584 1.352 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.744 -7.035 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.323 -5.869 1.475 1.00 0.00 H new ATOM 419 N THR A 29 -20.868 -7.999 1.066 1.00 0.00 N ATOM 420 CA THR A 29 -19.762 -8.797 0.636 1.00 0.00 C ATOM 421 C THR A 29 -19.916 -9.324 -0.749 1.00 0.00 C ATOM 422 O THR A 29 -18.952 -9.363 -1.512 1.00 0.00 O ATOM 423 CB THR A 29 -19.366 -9.929 1.537 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.456 -10.645 2.099 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.548 -9.376 2.716 1.00 0.00 C ATOM 0 H THR A 29 -21.272 -8.345 1.936 1.00 0.00 H new ATOM 0 HA THR A 29 -18.952 -8.069 0.673 1.00 0.00 H new ATOM 0 HB THR A 29 -18.803 -10.616 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.115 -11.365 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.258 -10.195 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.654 -8.880 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.152 -8.660 3.273 1.00 0.00 H new ATOM 433 N LYS A 30 -21.133 -9.742 -1.141 1.00 0.00 N ATOM 434 CA LYS A 30 -21.528 -10.039 -2.483 1.00 0.00 C ATOM 435 C LYS A 30 -21.213 -8.951 -3.451 1.00 0.00 C ATOM 436 O LYS A 30 -20.694 -9.167 -4.545 1.00 0.00 O ATOM 437 CB LYS A 30 -22.992 -10.452 -2.712 1.00 0.00 C ATOM 438 CG LYS A 30 -23.071 -11.890 -2.195 1.00 0.00 C ATOM 439 CD LYS A 30 -24.440 -12.572 -2.186 1.00 0.00 C ATOM 440 CE LYS A 30 -24.940 -12.821 -3.610 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.209 -13.583 -3.618 1.00 0.00 N ATOM 0 H LYS A 30 -21.892 -9.882 -0.474 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.916 -10.922 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.678 -9.798 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.260 -10.394 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.397 -12.500 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.685 -11.901 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.375 -13.518 -1.649 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.156 -11.950 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.085 -11.867 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.183 -13.369 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.518 -13.733 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.064 -14.503 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.938 -13.049 -3.104 1.00 0.00 H new ATOM 455 N GLU A 31 -21.566 -7.694 -3.128 1.00 0.00 N ATOM 456 CA GLU A 31 -21.414 -6.550 -3.974 1.00 0.00 C ATOM 457 C GLU A 31 -19.988 -6.119 -3.963 1.00 0.00 C ATOM 458 O GLU A 31 -19.528 -5.696 -5.023 1.00 0.00 O ATOM 459 CB GLU A 31 -22.271 -5.364 -3.500 1.00 0.00 C ATOM 460 CG GLU A 31 -23.721 -5.839 -3.611 1.00 0.00 C ATOM 461 CD GLU A 31 -24.670 -4.842 -2.960 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.543 -4.513 -1.751 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.636 -4.408 -3.642 1.00 0.00 O ATOM 0 H GLU A 31 -21.981 -7.463 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.738 -6.838 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.026 -5.087 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.098 -4.483 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.986 -5.968 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.827 -6.813 -3.133 1.00 0.00 H new ATOM 470 N LEU A 32 -19.244 -6.332 -2.863 1.00 0.00 N ATOM 471 CA LEU A 32 -17.823 -6.168 -2.863 1.00 0.00 C ATOM 472 C LEU A 32 -17.081 -7.180 -3.665 1.00 0.00 C ATOM 473 O LEU A 32 -16.281 -6.785 -4.512 1.00 0.00 O ATOM 474 CB LEU A 32 -17.208 -6.221 -1.455 1.00 0.00 C ATOM 475 CG LEU A 32 -17.419 -5.024 -0.512 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.053 -5.366 0.942 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.600 -3.740 -0.732 1.00 0.00 C ATOM 0 H LEU A 32 -19.631 -6.621 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.710 -5.181 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.599 -7.108 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.134 -6.367 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.469 -4.832 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.217 -4.493 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.678 -6.188 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.005 -5.660 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.874 -3.000 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.537 -3.967 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.808 -3.342 -1.725 1.00 0.00 H new ATOM 489 N GLY A 33 -17.419 -8.475 -3.531 1.00 0.00 N ATOM 490 CA GLY A 33 -16.990 -9.585 -4.323 1.00 0.00 C ATOM 491 C GLY A 33 -17.238 -9.365 -5.776 1.00 0.00 C ATOM 492 O GLY A 33 -16.273 -9.377 -6.539 1.00 0.00 O ATOM 0 H GLY A 33 -18.057 -8.771 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.926 -9.757 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.512 -10.485 -3.999 1.00 0.00 H new ATOM 496 N THR A 34 -18.477 -9.125 -6.241 1.00 0.00 N ATOM 497 CA THR A 34 -18.848 -8.862 -7.597 1.00 0.00 C ATOM 498 C THR A 34 -17.928 -7.968 -8.354 1.00 0.00 C ATOM 499 O THR A 34 -17.492 -8.400 -9.421 1.00 0.00 O ATOM 500 CB THR A 34 -20.274 -8.456 -7.820 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.065 -9.416 -7.135 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.657 -8.628 -9.300 1.00 0.00 C ATOM 0 H THR A 34 -19.284 -9.114 -5.617 1.00 0.00 H new ATOM 0 HA THR A 34 -18.740 -9.861 -8.020 1.00 0.00 H new ATOM 0 HB THR A 34 -20.415 -7.424 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.211 -9.121 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.695 -8.329 -9.444 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.011 -8.005 -9.918 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.537 -9.672 -9.588 1.00 0.00 H new ATOM 510 N VAL A 35 -17.652 -6.727 -7.915 1.00 0.00 N ATOM 511 CA VAL A 35 -16.836 -5.859 -8.706 1.00 0.00 C ATOM 512 C VAL A 35 -15.397 -6.231 -8.605 1.00 0.00 C ATOM 513 O VAL A 35 -14.615 -6.167 -9.552 1.00 0.00 O ATOM 514 CB VAL A 35 -17.117 -4.423 -8.373 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.947 -3.425 -8.401 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.136 -3.951 -9.423 1.00 0.00 C ATOM 0 H VAL A 35 -17.984 -6.332 -7.035 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.096 -5.984 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.439 -4.422 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.310 -2.431 -8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.187 -3.735 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.513 -3.401 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.389 -2.906 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.705 -4.052 -10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.038 -4.560 -9.354 1.00 0.00 H new ATOM 526 N MET A 36 -14.901 -6.722 -7.455 1.00 0.00 N ATOM 527 CA MET A 36 -13.598 -7.303 -7.355 1.00 0.00 C ATOM 528 C MET A 36 -13.340 -8.422 -8.305 1.00 0.00 C ATOM 529 O MET A 36 -12.338 -8.387 -9.018 1.00 0.00 O ATOM 530 CB MET A 36 -13.290 -7.788 -5.928 1.00 0.00 C ATOM 531 CG MET A 36 -13.106 -6.680 -4.889 1.00 0.00 C ATOM 532 SD MET A 36 -12.948 -7.316 -3.193 1.00 0.00 S ATOM 533 CE MET A 36 -13.100 -5.719 -2.343 1.00 0.00 C ATOM 0 H MET A 36 -15.417 -6.715 -6.575 1.00 0.00 H new ATOM 0 HA MET A 36 -12.931 -6.485 -7.628 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.099 -8.440 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.384 -8.393 -5.955 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.217 -6.100 -5.138 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.955 -5.999 -4.938 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.030 -5.872 -1.266 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.298 -5.056 -2.668 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.063 -5.269 -2.584 1.00 0.00 H new ATOM 543 N ARG A 37 -14.220 -9.435 -8.392 1.00 0.00 N ATOM 544 CA ARG A 37 -14.165 -10.411 -9.435 1.00 0.00 C ATOM 545 C ARG A 37 -14.169 -9.923 -10.843 1.00 0.00 C ATOM 546 O ARG A 37 -13.270 -10.232 -11.623 1.00 0.00 O ATOM 547 CB ARG A 37 -15.371 -11.348 -9.252 1.00 0.00 C ATOM 548 CG ARG A 37 -15.144 -12.391 -8.156 1.00 0.00 C ATOM 549 CD ARG A 37 -14.025 -13.366 -8.527 1.00 0.00 C ATOM 550 NE ARG A 37 -13.784 -14.240 -7.345 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.136 -15.441 -7.362 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.761 -16.027 -8.536 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.927 -15.998 -6.134 1.00 0.00 N ATOM 0 H ARG A 37 -14.981 -9.579 -7.728 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.190 -10.885 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.253 -10.756 -9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.579 -11.855 -10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.894 -11.889 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.067 -12.945 -7.983 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.308 -13.963 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.118 -12.825 -8.795 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.134 -13.912 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.964 -15.567 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.278 -16.925 -8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.248 -15.517 -5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.449 -16.896 -6.056 1.00 0.00 H new ATOM 567 N SER A 38 -15.094 -9.067 -11.312 1.00 0.00 N ATOM 568 CA SER A 38 -15.043 -8.665 -12.683 1.00 0.00 C ATOM 569 C SER A 38 -13.998 -7.654 -13.010 1.00 0.00 C ATOM 570 O SER A 38 -13.588 -7.532 -14.163 1.00 0.00 O ATOM 571 CB SER A 38 -16.436 -8.075 -12.964 1.00 0.00 C ATOM 572 OG SER A 38 -17.459 -9.060 -12.959 1.00 0.00 O ATOM 0 H SER A 38 -15.854 -8.664 -10.763 1.00 0.00 H new ATOM 0 HA SER A 38 -14.779 -9.526 -13.297 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.663 -7.317 -12.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.425 -7.573 -13.931 1.00 0.00 H new ATOM 0 HG SER A 38 -18.323 -8.635 -13.140 1.00 0.00 H new ATOM 578 N LEU A 39 -13.403 -6.962 -12.022 1.00 0.00 N ATOM 579 CA LEU A 39 -12.174 -6.275 -12.269 1.00 0.00 C ATOM 580 C LEU A 39 -10.911 -7.066 -12.292 1.00 0.00 C ATOM 581 O LEU A 39 -9.817 -6.600 -12.603 1.00 0.00 O ATOM 582 CB LEU A 39 -11.928 -5.127 -11.276 1.00 0.00 C ATOM 583 CG LEU A 39 -12.946 -3.979 -11.371 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.583 -2.946 -10.291 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.924 -3.299 -12.751 1.00 0.00 C ATOM 0 H LEU A 39 -13.763 -6.878 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.361 -5.939 -13.289 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.945 -5.529 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.929 -4.725 -11.443 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.948 -4.382 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.288 -2.115 -10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.630 -3.415 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.574 -2.574 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.659 -2.494 -12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.932 -2.889 -12.939 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.166 -4.031 -13.521 1.00 0.00 H new ATOM 597 N GLY A 40 -11.100 -8.378 -12.061 1.00 0.00 N ATOM 598 CA GLY A 40 -10.064 -9.320 -12.355 1.00 0.00 C ATOM 599 C GLY A 40 -9.294 -9.903 -11.221 1.00 0.00 C ATOM 600 O GLY A 40 -8.318 -10.633 -11.385 1.00 0.00 O ATOM 0 H GLY A 40 -11.954 -8.782 -11.677 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.512 -10.144 -12.910 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.353 -8.834 -13.024 1.00 0.00 H new ATOM 604 N GLN A 41 -9.815 -9.708 -9.996 1.00 0.00 N ATOM 605 CA GLN A 41 -9.144 -10.235 -8.849 1.00 0.00 C ATOM 606 C GLN A 41 -9.858 -11.484 -8.459 1.00 0.00 C ATOM 607 O GLN A 41 -10.806 -11.890 -9.129 1.00 0.00 O ATOM 608 CB GLN A 41 -9.189 -9.207 -7.706 1.00 0.00 C ATOM 609 CG GLN A 41 -8.767 -7.779 -8.058 1.00 0.00 C ATOM 610 CD GLN A 41 -8.704 -6.853 -6.852 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.681 -6.405 -6.255 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.445 -6.590 -6.409 1.00 0.00 N ATOM 0 H GLN A 41 -10.678 -9.199 -9.802 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.097 -10.448 -9.066 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.206 -9.176 -7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.548 -9.564 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.789 -7.805 -8.538 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.468 -7.369 -8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.639 -6.965 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.307 -6.018 -5.576 1.00 0.00 H new ATOM 621 N ASN A 42 -9.447 -12.186 -7.388 1.00 0.00 N ATOM 622 CA ASN A 42 -9.992 -13.445 -6.983 1.00 0.00 C ATOM 623 C ASN A 42 -10.393 -13.482 -5.548 1.00 0.00 C ATOM 624 O ASN A 42 -9.937 -14.389 -4.854 1.00 0.00 O ATOM 625 CB ASN A 42 -9.084 -14.658 -7.244 1.00 0.00 C ATOM 626 CG ASN A 42 -8.699 -14.773 -8.712 1.00 0.00 C ATOM 627 OD1 ASN A 42 -9.499 -15.105 -9.585 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.415 -14.437 -9.008 1.00 0.00 N ATOM 0 H ASN A 42 -8.699 -11.860 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.872 -13.528 -7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.182 -14.574 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.595 -15.568 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.093 -14.456 -9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.774 -14.166 -8.262 1.00 0.00 H new ATOM 635 N PRO A 43 -11.210 -12.665 -4.954 1.00 0.00 N ATOM 636 CA PRO A 43 -11.474 -12.789 -3.550 1.00 0.00 C ATOM 637 C PRO A 43 -12.366 -13.934 -3.212 1.00 0.00 C ATOM 638 O PRO A 43 -13.234 -14.329 -3.990 1.00 0.00 O ATOM 639 CB PRO A 43 -12.122 -11.453 -3.194 1.00 0.00 C ATOM 640 CG PRO A 43 -12.914 -11.055 -4.450 1.00 0.00 C ATOM 641 CD PRO A 43 -12.068 -11.668 -5.577 1.00 0.00 C ATOM 0 HA PRO A 43 -10.564 -12.998 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.776 -11.549 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.371 -10.703 -2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.927 -11.457 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.002 -9.973 -4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.704 -12.123 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.474 -10.903 -6.076 1.00 0.00 H new ATOM 649 N THR A 44 -12.072 -14.616 -2.091 1.00 0.00 N ATOM 650 CA THR A 44 -12.892 -15.544 -1.376 1.00 0.00 C ATOM 651 C THR A 44 -13.899 -14.794 -0.573 1.00 0.00 C ATOM 652 O THR A 44 -13.751 -13.634 -0.190 1.00 0.00 O ATOM 653 CB THR A 44 -12.075 -16.485 -0.541 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.328 -15.867 0.497 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.059 -17.302 -1.356 1.00 0.00 C ATOM 0 H THR A 44 -11.164 -14.503 -1.641 1.00 0.00 H new ATOM 0 HA THR A 44 -13.423 -16.174 -2.090 1.00 0.00 H new ATOM 0 HB THR A 44 -12.847 -17.124 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.828 -16.550 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.503 -17.961 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.586 -17.899 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.367 -16.626 -1.857 1.00 0.00 H new ATOM 663 N GLU A 45 -15.017 -15.398 -0.133 1.00 0.00 N ATOM 664 CA GLU A 45 -15.991 -14.875 0.774 1.00 0.00 C ATOM 665 C GLU A 45 -15.419 -14.570 2.116 1.00 0.00 C ATOM 666 O GLU A 45 -15.848 -13.606 2.747 1.00 0.00 O ATOM 667 CB GLU A 45 -17.006 -16.012 0.980 1.00 0.00 C ATOM 668 CG GLU A 45 -17.968 -16.375 -0.153 1.00 0.00 C ATOM 669 CD GLU A 45 -17.490 -17.071 -1.419 1.00 0.00 C ATOM 670 OE1 GLU A 45 -16.334 -17.565 -1.508 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.273 -17.025 -2.406 1.00 0.00 O ATOM 0 H GLU A 45 -15.260 -16.339 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.405 -13.954 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.443 -16.911 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.609 -15.758 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.742 -17.007 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.451 -15.449 -0.465 1.00 0.00 H new ATOM 678 N ALA A 46 -14.460 -15.375 2.607 1.00 0.00 N ATOM 679 CA ALA A 46 -13.740 -15.150 3.821 1.00 0.00 C ATOM 680 C ALA A 46 -12.734 -14.051 3.785 1.00 0.00 C ATOM 681 O ALA A 46 -12.488 -13.416 4.809 1.00 0.00 O ATOM 682 CB ALA A 46 -13.052 -16.476 4.188 1.00 0.00 C ATOM 0 H ALA A 46 -14.172 -16.229 2.130 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.465 -14.820 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.488 -16.350 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.806 -17.251 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.373 -16.768 3.386 1.00 0.00 H new ATOM 688 N GLU A 47 -12.125 -13.792 2.614 1.00 0.00 N ATOM 689 CA GLU A 47 -11.335 -12.609 2.468 1.00 0.00 C ATOM 690 C GLU A 47 -12.158 -11.369 2.525 1.00 0.00 C ATOM 691 O GLU A 47 -11.811 -10.402 3.201 1.00 0.00 O ATOM 692 CB GLU A 47 -10.454 -12.674 1.209 1.00 0.00 C ATOM 693 CG GLU A 47 -9.377 -13.757 1.305 1.00 0.00 C ATOM 694 CD GLU A 47 -8.541 -13.989 0.054 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.231 -14.280 -0.960 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.304 -13.761 0.108 1.00 0.00 O ATOM 0 H GLU A 47 -12.177 -14.386 1.786 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.663 -12.562 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.082 -12.866 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.979 -11.706 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.704 -13.499 2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.860 -14.697 1.573 1.00 0.00 H new ATOM 703 N LEU A 48 -13.401 -11.386 2.011 1.00 0.00 N ATOM 704 CA LEU A 48 -14.361 -10.327 1.975 1.00 0.00 C ATOM 705 C LEU A 48 -14.920 -10.063 3.330 1.00 0.00 C ATOM 706 O LEU A 48 -15.118 -8.914 3.723 1.00 0.00 O ATOM 707 CB LEU A 48 -15.485 -10.652 0.977 1.00 0.00 C ATOM 708 CG LEU A 48 -15.042 -10.535 -0.492 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.985 -11.321 -1.419 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.021 -9.078 -0.983 1.00 0.00 C ATOM 0 H LEU A 48 -13.769 -12.232 1.576 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.853 -9.422 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.845 -11.664 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.324 -9.978 1.152 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.033 -10.945 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.648 -11.221 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.979 -12.374 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.997 -10.926 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.702 -9.050 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.020 -8.651 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.326 -8.499 -0.375 1.00 0.00 H new ATOM 722 N GLN A 49 -15.283 -11.118 4.081 1.00 0.00 N ATOM 723 CA GLN A 49 -15.775 -11.010 5.419 1.00 0.00 C ATOM 724 C GLN A 49 -14.913 -10.280 6.391 1.00 0.00 C ATOM 725 O GLN A 49 -15.441 -9.557 7.235 1.00 0.00 O ATOM 726 CB GLN A 49 -16.232 -12.382 5.944 1.00 0.00 C ATOM 727 CG GLN A 49 -17.211 -12.269 7.114 1.00 0.00 C ATOM 728 CD GLN A 49 -18.650 -12.072 6.660 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.336 -12.816 5.959 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.169 -10.878 7.053 1.00 0.00 N ATOM 0 H GLN A 49 -15.232 -12.080 3.745 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.639 -10.350 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.703 -12.938 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.360 -12.955 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.147 -13.170 7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -16.917 -11.433 7.749 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.616 -10.248 7.634 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.111 -10.613 6.767 1.00 0.00 H new ATOM 739 N ASP A 50 -13.594 -10.529 6.310 1.00 0.00 N ATOM 740 CA ASP A 50 -12.602 -9.964 7.172 1.00 0.00 C ATOM 741 C ASP A 50 -12.535 -8.475 7.149 1.00 0.00 C ATOM 742 O ASP A 50 -12.180 -7.795 8.111 1.00 0.00 O ATOM 743 CB ASP A 50 -11.206 -10.442 6.739 1.00 0.00 C ATOM 744 CG ASP A 50 -10.111 -10.247 7.778 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.340 -10.553 8.979 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.043 -9.735 7.349 1.00 0.00 O ATOM 0 H ASP A 50 -13.200 -11.156 5.608 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.890 -10.290 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.263 -11.501 6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.922 -9.912 5.830 1.00 0.00 H new ATOM 751 N MET A 51 -12.990 -7.881 6.032 1.00 0.00 N ATOM 752 CA MET A 51 -13.056 -6.469 5.817 1.00 0.00 C ATOM 753 C MET A 51 -14.139 -5.824 6.611 1.00 0.00 C ATOM 754 O MET A 51 -14.038 -4.755 7.211 1.00 0.00 O ATOM 755 CB MET A 51 -13.376 -6.093 4.360 1.00 0.00 C ATOM 756 CG MET A 51 -12.423 -6.739 3.352 1.00 0.00 C ATOM 757 SD MET A 51 -13.010 -6.623 1.636 1.00 0.00 S ATOM 758 CE MET A 51 -11.455 -7.212 0.906 1.00 0.00 C ATOM 0 H MET A 51 -13.331 -8.417 5.234 1.00 0.00 H new ATOM 0 HA MET A 51 -12.065 -6.123 6.111 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.398 -6.393 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.330 -5.009 4.252 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.446 -6.262 3.428 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.286 -7.789 3.612 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.583 -7.338 -0.169 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.666 -6.484 1.095 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.182 -8.168 1.354 1.00 0.00 H new ATOM 768 N ILE A 52 -15.272 -6.545 6.677 1.00 0.00 N ATOM 769 CA ILE A 52 -16.441 -6.237 7.440 1.00 0.00 C ATOM 770 C ILE A 52 -16.142 -6.296 8.899 1.00 0.00 C ATOM 771 O ILE A 52 -16.318 -5.391 9.713 1.00 0.00 O ATOM 772 CB ILE A 52 -17.663 -7.021 7.063 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.354 -6.493 5.795 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.719 -7.000 8.180 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.485 -6.376 4.543 1.00 0.00 C ATOM 0 H ILE A 52 -15.377 -7.414 6.153 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.709 -5.212 7.185 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.294 -8.031 6.887 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.195 -7.148 5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.768 -5.509 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.589 -7.579 7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.299 -7.435 9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.019 -5.971 8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.085 -5.993 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.658 -5.693 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.091 -7.358 4.280 1.00 0.00 H new ATOM 787 N ASN A 53 -15.565 -7.457 9.256 1.00 0.00 N ATOM 788 CA ASN A 53 -15.071 -7.745 10.567 1.00 0.00 C ATOM 789 C ASN A 53 -14.236 -6.674 11.179 1.00 0.00 C ATOM 790 O ASN A 53 -14.200 -6.402 12.378 1.00 0.00 O ATOM 791 CB ASN A 53 -14.458 -9.155 10.595 1.00 0.00 C ATOM 792 CG ASN A 53 -14.336 -9.695 12.012 1.00 0.00 C ATOM 793 OD1 ASN A 53 -15.212 -10.437 12.455 1.00 0.00 O ATOM 794 ND2 ASN A 53 -13.248 -9.305 12.729 1.00 0.00 N ATOM 0 H ASN A 53 -15.437 -8.229 8.602 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.925 -7.750 11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.074 -9.830 10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.472 -9.131 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.126 -9.630 13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.554 -8.688 12.308 1.00 0.00 H new ATOM 801 N GLU A 54 -13.455 -6.014 10.305 1.00 0.00 N ATOM 802 CA GLU A 54 -12.585 -4.902 10.528 1.00 0.00 C ATOM 803 C GLU A 54 -13.238 -3.593 10.812 1.00 0.00 C ATOM 804 O GLU A 54 -12.961 -2.958 11.828 1.00 0.00 O ATOM 805 CB GLU A 54 -11.482 -4.751 9.467 1.00 0.00 C ATOM 806 CG GLU A 54 -10.480 -3.661 9.857 1.00 0.00 C ATOM 807 CD GLU A 54 -9.302 -3.512 8.905 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.670 -4.528 8.510 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.957 -2.369 8.506 1.00 0.00 O ATOM 0 H GLU A 54 -13.434 -6.298 9.325 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.112 -5.187 11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.960 -5.700 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.931 -4.507 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.005 -2.708 9.916 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.098 -3.877 10.855 1.00 0.00 H new ATOM 816 N VAL A 55 -14.055 -3.146 9.841 1.00 0.00 N ATOM 817 CA VAL A 55 -14.641 -1.842 9.838 1.00 0.00 C ATOM 818 C VAL A 55 -15.939 -1.630 10.538 1.00 0.00 C ATOM 819 O VAL A 55 -16.286 -0.568 11.052 1.00 0.00 O ATOM 820 CB VAL A 55 -14.729 -1.239 8.467 1.00 0.00 C ATOM 821 CG1 VAL A 55 -16.022 -1.619 7.727 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.471 0.275 8.544 1.00 0.00 C ATOM 0 H VAL A 55 -14.316 -3.710 9.032 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.910 -1.325 10.459 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.941 -1.669 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.028 -1.153 6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.073 -2.702 7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.883 -1.272 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.536 0.706 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.217 0.739 9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.476 0.454 8.952 1.00 0.00 H new ATOM 832 N ASP A 56 -16.754 -2.687 10.708 1.00 0.00 N ATOM 833 CA ASP A 56 -18.034 -2.692 11.347 1.00 0.00 C ATOM 834 C ASP A 56 -17.856 -2.652 12.826 1.00 0.00 C ATOM 835 O ASP A 56 -17.590 -3.681 13.444 1.00 0.00 O ATOM 836 CB ASP A 56 -18.907 -3.788 10.713 1.00 0.00 C ATOM 837 CG ASP A 56 -20.368 -3.534 11.058 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.959 -2.657 10.373 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.950 -4.192 11.962 1.00 0.00 O ATOM 0 H ASP A 56 -16.495 -3.614 10.370 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.623 -1.792 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.773 -3.794 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.601 -4.768 11.078 1.00 0.00 H new ATOM 844 N ALA A 57 -17.835 -1.378 13.257 1.00 0.00 N ATOM 845 CA ALA A 57 -18.014 -0.904 14.594 1.00 0.00 C ATOM 846 C ALA A 57 -19.469 -0.840 14.909 1.00 0.00 C ATOM 847 O ALA A 57 -19.838 -1.127 16.047 1.00 0.00 O ATOM 848 CB ALA A 57 -17.339 0.473 14.706 1.00 0.00 C ATOM 0 H ALA A 57 -17.678 -0.609 12.606 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.556 -1.579 15.317 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.462 0.857 15.719 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.277 0.377 14.481 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.799 1.162 13.998 1.00 0.00 H new ATOM 854 N ASP A 58 -20.352 -0.362 14.015 1.00 0.00 N ATOM 855 CA ASP A 58 -21.722 -0.095 14.327 1.00 0.00 C ATOM 856 C ASP A 58 -22.621 -1.274 14.475 1.00 0.00 C ATOM 857 O ASP A 58 -23.557 -1.251 15.273 1.00 0.00 O ATOM 858 CB ASP A 58 -22.412 0.884 13.362 1.00 0.00 C ATOM 859 CG ASP A 58 -22.389 0.474 11.897 1.00 0.00 C ATOM 860 OD1 ASP A 58 -22.983 -0.586 11.563 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.782 1.135 11.012 1.00 0.00 O ATOM 0 H ASP A 58 -20.106 -0.155 13.047 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.598 0.356 15.312 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.450 1.005 13.673 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.935 1.860 13.457 1.00 0.00 H new ATOM 866 N GLY A 59 -22.323 -2.373 13.759 1.00 0.00 N ATOM 867 CA GLY A 59 -22.954 -3.624 14.044 1.00 0.00 C ATOM 868 C GLY A 59 -24.008 -3.956 13.046 1.00 0.00 C ATOM 869 O GLY A 59 -24.707 -4.966 13.108 1.00 0.00 O ATOM 0 H GLY A 59 -21.652 -2.396 12.991 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.204 -4.414 14.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.396 -3.589 15.040 1.00 0.00 H new ATOM 873 N ASN A 60 -24.151 -3.152 11.977 1.00 0.00 N ATOM 874 CA ASN A 60 -25.150 -3.411 10.987 1.00 0.00 C ATOM 875 C ASN A 60 -24.848 -4.496 10.013 1.00 0.00 C ATOM 876 O ASN A 60 -25.840 -5.019 9.506 1.00 0.00 O ATOM 877 CB ASN A 60 -25.735 -2.182 10.270 1.00 0.00 C ATOM 878 CG ASN A 60 -24.764 -1.453 9.352 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.638 -1.877 9.097 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.240 -0.369 8.683 1.00 0.00 N ATOM 0 H ASN A 60 -23.578 -2.327 11.799 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.939 -3.792 11.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.598 -2.498 9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.099 -1.480 11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.664 0.087 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.173 -0.012 8.889 1.00 0.00 H new ATOM 887 N GLY A 61 -23.565 -4.883 9.894 1.00 0.00 N ATOM 888 CA GLY A 61 -23.226 -6.037 9.122 1.00 0.00 C ATOM 889 C GLY A 61 -22.885 -5.711 7.708 1.00 0.00 C ATOM 890 O GLY A 61 -22.342 -6.527 6.965 1.00 0.00 O ATOM 0 H GLY A 61 -22.774 -4.405 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.380 -6.543 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -24.062 -6.736 9.137 1.00 0.00 H new ATOM 894 N THR A 62 -23.207 -4.514 7.187 1.00 0.00 N ATOM 895 CA THR A 62 -22.793 -4.059 5.896 1.00 0.00 C ATOM 896 C THR A 62 -21.909 -2.866 6.019 1.00 0.00 C ATOM 897 O THR A 62 -21.741 -2.257 7.075 1.00 0.00 O ATOM 898 CB THR A 62 -24.004 -3.647 5.113 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.921 -2.832 5.827 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.845 -4.837 4.621 1.00 0.00 C ATOM 0 H THR A 62 -23.780 -3.834 7.687 1.00 0.00 H new ATOM 0 HA THR A 62 -22.255 -4.868 5.401 1.00 0.00 H new ATOM 0 HB THR A 62 -23.554 -3.093 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.678 -2.607 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.705 -4.468 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.237 -5.470 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.190 -5.417 5.477 1.00 0.00 H new ATOM 908 N ILE A 63 -21.206 -2.470 4.943 1.00 0.00 N ATOM 909 CA ILE A 63 -20.435 -1.267 4.872 1.00 0.00 C ATOM 910 C ILE A 63 -21.373 -0.206 4.409 1.00 0.00 C ATOM 911 O ILE A 63 -22.023 -0.244 3.365 1.00 0.00 O ATOM 912 CB ILE A 63 -19.143 -1.400 4.122 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.478 -2.693 4.621 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.373 -0.091 4.368 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.011 -2.819 4.213 1.00 0.00 C ATOM 0 H ILE A 63 -21.174 -3.015 4.081 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.041 -0.988 5.849 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.222 -1.508 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.550 -2.733 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.030 -3.549 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.418 -0.127 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.958 0.751 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.197 0.032 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.605 -3.754 4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.934 -2.811 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.446 -1.982 4.623 1.00 0.00 H new ATOM 927 N ASP A 64 -21.603 0.882 5.165 1.00 0.00 N ATOM 928 CA ASP A 64 -22.397 2.040 4.892 1.00 0.00 C ATOM 929 C ASP A 64 -21.502 3.201 4.624 1.00 0.00 C ATOM 930 O ASP A 64 -20.280 3.112 4.520 1.00 0.00 O ATOM 931 CB ASP A 64 -23.351 2.197 6.088 1.00 0.00 C ATOM 932 CG ASP A 64 -22.741 2.108 7.479 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.189 3.124 7.980 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.827 0.993 8.059 1.00 0.00 O ATOM 0 H ASP A 64 -21.174 0.955 6.087 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.007 1.958 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.849 3.162 5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.123 1.431 6.008 1.00 0.00 H new ATOM 939 N PHE A 65 -22.098 4.373 4.340 1.00 0.00 N ATOM 940 CA PHE A 65 -21.444 5.492 3.735 1.00 0.00 C ATOM 941 C PHE A 65 -20.295 6.087 4.473 1.00 0.00 C ATOM 942 O PHE A 65 -19.208 6.031 3.899 1.00 0.00 O ATOM 943 CB PHE A 65 -22.521 6.414 3.138 1.00 0.00 C ATOM 944 CG PHE A 65 -21.910 7.495 2.314 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.689 7.273 0.975 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.610 8.746 2.799 1.00 0.00 C ATOM 947 CE1 PHE A 65 -21.133 8.222 0.150 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.992 9.681 2.002 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.724 9.424 0.679 1.00 0.00 C ATOM 0 H PHE A 65 -23.082 4.548 4.542 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.835 5.150 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.205 5.828 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.111 6.855 3.941 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.963 6.316 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.863 8.998 3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -21.018 8.025 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.712 10.635 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.205 10.148 0.069 1.00 0.00 H new ATOM 959 N PRO A 66 -20.374 6.648 5.643 1.00 0.00 N ATOM 960 CA PRO A 66 -19.300 7.367 6.265 1.00 0.00 C ATOM 961 C PRO A 66 -18.237 6.371 6.576 1.00 0.00 C ATOM 962 O PRO A 66 -17.070 6.746 6.483 1.00 0.00 O ATOM 963 CB PRO A 66 -19.957 8.091 7.438 1.00 0.00 C ATOM 964 CG PRO A 66 -21.042 7.094 7.876 1.00 0.00 C ATOM 965 CD PRO A 66 -21.539 6.589 6.512 1.00 0.00 C ATOM 0 HA PRO A 66 -18.792 8.127 5.672 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.246 8.295 8.239 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.383 9.048 7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.640 6.290 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.834 7.572 8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.927 5.573 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.348 7.212 6.131 1.00 0.00 H new ATOM 973 N GLU A 67 -18.587 5.085 6.762 1.00 0.00 N ATOM 974 CA GLU A 67 -17.672 4.016 7.015 1.00 0.00 C ATOM 975 C GLU A 67 -16.844 3.650 5.832 1.00 0.00 C ATOM 976 O GLU A 67 -15.626 3.558 5.979 1.00 0.00 O ATOM 977 CB GLU A 67 -18.500 2.790 7.432 1.00 0.00 C ATOM 978 CG GLU A 67 -17.938 1.705 8.352 1.00 0.00 C ATOM 979 CD GLU A 67 -19.079 0.727 8.590 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.983 0.572 7.725 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.145 0.079 9.669 1.00 0.00 O ATOM 0 H GLU A 67 -19.559 4.776 6.734 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.981 4.344 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.404 3.169 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.810 2.293 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.085 1.206 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.588 2.133 9.291 1.00 0.00 H new ATOM 988 N PHE A 68 -17.432 3.634 4.622 1.00 0.00 N ATOM 989 CA PHE A 68 -16.791 3.604 3.344 1.00 0.00 C ATOM 990 C PHE A 68 -15.847 4.735 3.118 1.00 0.00 C ATOM 991 O PHE A 68 -14.673 4.613 2.775 1.00 0.00 O ATOM 992 CB PHE A 68 -17.823 3.648 2.205 1.00 0.00 C ATOM 993 CG PHE A 68 -17.236 3.456 0.849 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.125 2.156 0.415 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.091 4.539 0.014 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.742 1.902 -0.881 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.726 4.274 -1.285 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.609 2.978 -1.727 1.00 0.00 C ATOM 0 H PHE A 68 -18.448 3.643 4.533 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.229 2.670 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.573 2.876 2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.340 4.607 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.337 1.339 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.256 5.548 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.553 0.895 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.530 5.091 -1.963 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.406 2.799 -2.773 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.338 5.965 3.354 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.587 7.178 3.260 1.00 0.00 C ATOM 1010 C LEU A 69 -14.416 7.279 4.175 1.00 0.00 C ATOM 1011 O LEU A 69 -13.385 7.766 3.715 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.618 8.304 3.069 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.107 9.690 3.498 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.089 10.739 2.950 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.942 9.897 5.013 1.00 0.00 C ATOM 0 H LEU A 69 -17.309 6.121 3.624 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.942 7.255 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.910 8.343 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.515 8.064 3.641 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.101 9.788 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.754 11.736 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.127 10.669 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.082 10.557 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.577 10.906 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.904 9.759 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.227 9.173 5.403 1.00 0.00 H new ATOM 1027 N THR A 70 -14.464 6.746 5.409 1.00 0.00 N ATOM 1028 CA THR A 70 -13.481 6.675 6.445 1.00 0.00 C ATOM 1029 C THR A 70 -12.544 5.553 6.153 1.00 0.00 C ATOM 1030 O THR A 70 -11.336 5.782 6.135 1.00 0.00 O ATOM 1031 CB THR A 70 -14.061 6.611 7.826 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.822 7.798 7.999 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.048 6.632 8.983 1.00 0.00 C ATOM 0 H THR A 70 -15.326 6.299 5.720 1.00 0.00 H new ATOM 0 HA THR A 70 -12.922 7.611 6.444 1.00 0.00 H new ATOM 0 HB THR A 70 -14.601 5.666 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.687 7.700 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.580 6.581 9.933 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.378 5.776 8.896 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.467 7.553 8.941 1.00 0.00 H new ATOM 1041 N MET A 71 -12.954 4.344 5.729 1.00 0.00 N ATOM 1042 CA MET A 71 -12.059 3.279 5.399 1.00 0.00 C ATOM 1043 C MET A 71 -11.199 3.427 4.191 1.00 0.00 C ATOM 1044 O MET A 71 -10.044 3.005 4.189 1.00 0.00 O ATOM 1045 CB MET A 71 -12.671 1.868 5.395 1.00 0.00 C ATOM 1046 CG MET A 71 -13.634 1.566 4.245 1.00 0.00 C ATOM 1047 SD MET A 71 -14.493 -0.022 4.452 1.00 0.00 S ATOM 1048 CE MET A 71 -14.006 -0.809 2.889 1.00 0.00 C ATOM 0 H MET A 71 -13.938 4.100 5.612 1.00 0.00 H new ATOM 0 HA MET A 71 -11.399 3.387 6.260 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.860 1.140 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.200 1.719 6.336 1.00 0.00 H new ATOM 0 HG2 MET A 71 -14.370 2.366 4.173 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.081 1.556 3.306 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.443 -1.806 2.832 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.363 -0.208 2.052 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.920 -0.886 2.843 1.00 0.00 H new ATOM 1058 N MET A 72 -11.743 4.009 3.107 1.00 0.00 N ATOM 1059 CA MET A 72 -10.999 4.247 1.909 1.00 0.00 C ATOM 1060 C MET A 72 -9.914 5.236 2.162 1.00 0.00 C ATOM 1061 O MET A 72 -8.846 5.239 1.553 1.00 0.00 O ATOM 1062 CB MET A 72 -11.811 4.670 0.674 1.00 0.00 C ATOM 1063 CG MET A 72 -12.688 3.565 0.083 1.00 0.00 C ATOM 1064 SD MET A 72 -11.855 2.077 -0.547 1.00 0.00 S ATOM 1065 CE MET A 72 -13.411 1.230 -0.949 1.00 0.00 C ATOM 0 H MET A 72 -12.714 4.319 3.061 1.00 0.00 H new ATOM 0 HA MET A 72 -10.594 3.269 1.650 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.445 5.515 0.944 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.123 5.021 -0.095 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.398 3.254 0.849 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.268 3.996 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.195 0.229 -1.321 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.028 1.158 -0.053 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.945 1.794 -1.714 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.109 6.203 3.077 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.104 7.118 3.519 1.00 0.00 C ATOM 1077 C ALA A 73 -8.058 6.534 4.405 1.00 0.00 C ATOM 1078 O ALA A 73 -6.963 7.095 4.370 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.922 8.322 4.017 1.00 0.00 C ATOM 0 H ALA A 73 -11.011 6.353 3.530 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.418 7.439 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.246 9.095 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.518 8.721 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.582 8.005 4.824 1.00 0.00 H new ATOM 1234 N GLU A 83 3.512 7.259 -4.984 1.00 0.00 N ATOM 1235 CA GLU A 83 3.322 7.825 -6.283 1.00 0.00 C ATOM 1236 C GLU A 83 2.450 9.033 -6.289 1.00 0.00 C ATOM 1237 O GLU A 83 2.835 10.039 -6.883 1.00 0.00 O ATOM 1238 CB GLU A 83 2.840 6.716 -7.234 1.00 0.00 C ATOM 1239 CG GLU A 83 2.845 7.056 -8.726 1.00 0.00 C ATOM 1240 CD GLU A 83 4.300 7.101 -9.171 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.917 6.006 -9.265 1.00 0.00 O ATOM 1242 OE2 GLU A 83 4.863 8.212 -9.363 1.00 0.00 O ATOM 0 HA GLU A 83 4.278 8.207 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.466 5.837 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.825 6.438 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.292 6.307 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.358 8.015 -8.904 1.00 0.00 H new ATOM 1249 N GLU A 84 1.351 9.004 -5.515 1.00 0.00 N ATOM 1250 CA GLU A 84 0.571 10.154 -5.177 1.00 0.00 C ATOM 1251 C GLU A 84 1.265 11.280 -4.490 1.00 0.00 C ATOM 1252 O GLU A 84 0.897 12.433 -4.708 1.00 0.00 O ATOM 1253 CB GLU A 84 -0.543 9.664 -4.237 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.577 10.732 -3.878 1.00 0.00 C ATOM 1255 CD GLU A 84 -2.681 10.037 -3.094 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -3.548 9.362 -3.710 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.762 10.090 -1.838 1.00 0.00 O ATOM 0 H GLU A 84 0.990 8.142 -5.107 1.00 0.00 H new ATOM 0 HA GLU A 84 0.245 10.572 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.054 8.823 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.090 9.290 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.122 11.525 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.978 11.198 -4.778 1.00 0.00 H new ATOM 1264 N ILE A 85 2.359 10.911 -3.801 1.00 0.00 N ATOM 1265 CA ILE A 85 3.167 11.871 -3.114 1.00 0.00 C ATOM 1266 C ILE A 85 4.088 12.607 -4.026 1.00 0.00 C ATOM 1267 O ILE A 85 4.383 13.796 -3.921 1.00 0.00 O ATOM 1268 CB ILE A 85 3.946 11.277 -1.979 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.197 10.367 -0.991 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.575 12.403 -1.141 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.855 10.970 -0.577 1.00 0.00 C ATOM 0 H ILE A 85 2.685 9.948 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 85 2.455 12.584 -2.698 1.00 0.00 H new ATOM 0 HB ILE A 85 4.661 10.635 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.033 9.391 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.812 10.205 -0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.141 11.970 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.242 12.994 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.788 13.044 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.355 10.299 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.022 11.934 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.230 11.107 -1.459 1.00 0.00 H new ATOM 1283 N ARG A 86 4.604 11.809 -4.978 1.00 0.00 N ATOM 1284 CA ARG A 86 5.305 12.268 -6.136 1.00 0.00 C ATOM 1285 C ARG A 86 4.690 13.352 -6.953 1.00 0.00 C ATOM 1286 O ARG A 86 5.258 14.424 -7.152 1.00 0.00 O ATOM 1287 CB ARG A 86 5.922 11.190 -7.043 1.00 0.00 C ATOM 1288 CG ARG A 86 7.082 10.442 -6.382 1.00 0.00 C ATOM 1289 CD ARG A 86 7.855 9.501 -7.309 1.00 0.00 C ATOM 1290 NE ARG A 86 7.071 8.245 -7.471 1.00 0.00 N ATOM 1291 CZ ARG A 86 7.144 7.172 -6.630 1.00 0.00 C ATOM 1292 NH1 ARG A 86 8.028 7.100 -5.592 1.00 0.00 N ATOM 1293 NH2 ARG A 86 6.374 6.066 -6.845 1.00 0.00 N ATOM 0 H ARG A 86 4.528 10.793 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 86 6.124 12.749 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.149 10.474 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.275 11.656 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.777 11.173 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.692 9.864 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.017 9.973 -8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.838 9.282 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 86 6.435 8.182 -8.266 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.673 7.871 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.043 6.276 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.736 6.035 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.436 5.270 -6.210 1.00 0.00 H new ATOM 1307 N GLU A 87 3.374 13.153 -7.147 1.00 0.00 N ATOM 1308 CA GLU A 87 2.607 14.227 -7.698 1.00 0.00 C ATOM 1309 C GLU A 87 2.158 15.303 -6.770 1.00 0.00 C ATOM 1310 O GLU A 87 2.039 16.444 -7.213 1.00 0.00 O ATOM 1311 CB GLU A 87 1.449 13.784 -8.607 1.00 0.00 C ATOM 1312 CG GLU A 87 0.206 13.277 -7.872 1.00 0.00 C ATOM 1313 CD GLU A 87 -0.814 12.669 -8.824 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -1.413 13.525 -9.528 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -1.121 11.448 -8.867 1.00 0.00 O ATOM 0 H GLU A 87 2.862 12.297 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 87 3.374 14.696 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.161 14.624 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.808 12.996 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.501 12.532 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.254 14.101 -7.327 1.00 0.00 H new ATOM 1322 N ALA A 88 1.918 15.031 -5.475 1.00 0.00 N ATOM 1323 CA ALA A 88 1.420 15.960 -4.509 1.00 0.00 C ATOM 1324 C ALA A 88 2.423 16.987 -4.109 1.00 0.00 C ATOM 1325 O ALA A 88 2.184 18.173 -3.885 1.00 0.00 O ATOM 1326 CB ALA A 88 1.033 15.103 -3.292 1.00 0.00 C ATOM 0 H ALA A 88 2.082 14.105 -5.079 1.00 0.00 H new ATOM 0 HA ALA A 88 0.584 16.522 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.640 15.746 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.271 14.380 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.913 14.575 -2.924 1.00 0.00 H new ATOM 1332 N PHE A 89 3.725 16.656 -4.155 1.00 0.00 N ATOM 1333 CA PHE A 89 4.841 17.550 -4.117 1.00 0.00 C ATOM 1334 C PHE A 89 4.821 18.458 -5.298 1.00 0.00 C ATOM 1335 O PHE A 89 4.989 19.674 -5.219 1.00 0.00 O ATOM 1336 CB PHE A 89 6.147 16.766 -3.901 1.00 0.00 C ATOM 1337 CG PHE A 89 7.243 17.642 -3.400 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.009 18.440 -4.217 1.00 0.00 C ATOM 1339 CD2 PHE A 89 7.234 17.863 -2.043 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.885 19.331 -3.643 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.116 18.721 -1.429 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.993 19.362 -2.272 1.00 0.00 C ATOM 0 H PHE A 89 4.020 15.682 -4.225 1.00 0.00 H new ATOM 0 HA PHE A 89 4.771 18.216 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.973 15.959 -3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.452 16.303 -4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.924 18.368 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.507 17.343 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.477 19.994 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.120 18.880 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 89 9.809 19.919 -1.835 1.00 0.00 H new ATOM 1352 N ARG A 90 4.699 17.953 -6.538 1.00 0.00 N ATOM 1353 CA ARG A 90 4.832 18.693 -7.755 1.00 0.00 C ATOM 1354 C ARG A 90 3.665 19.586 -7.996 1.00 0.00 C ATOM 1355 O ARG A 90 3.855 20.662 -8.562 1.00 0.00 O ATOM 1356 CB ARG A 90 5.001 17.725 -8.938 1.00 0.00 C ATOM 1357 CG ARG A 90 5.327 18.278 -10.327 1.00 0.00 C ATOM 1358 CD ARG A 90 5.748 17.116 -11.229 1.00 0.00 C ATOM 1359 NE ARG A 90 4.461 16.518 -11.682 1.00 0.00 N ATOM 1360 CZ ARG A 90 4.313 15.222 -12.084 1.00 0.00 C ATOM 1361 NH1 ARG A 90 5.398 14.407 -11.931 1.00 0.00 N ATOM 1362 NH2 ARG A 90 3.150 14.722 -12.592 1.00 0.00 N ATOM 0 H ARG A 90 4.495 16.967 -6.701 1.00 0.00 H new ATOM 0 HA ARG A 90 5.716 19.324 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.791 17.022 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.078 17.151 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.458 18.786 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.127 19.016 -10.262 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.344 17.463 -12.073 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.355 16.391 -10.687 1.00 0.00 H new ATOM 0 HE ARG A 90 3.635 17.117 -11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.262 14.777 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.345 13.429 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.334 15.326 -12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.097 13.744 -12.877 1.00 0.00 H new ATOM 1376 N VAL A 91 2.519 19.256 -7.373 1.00 0.00 N ATOM 1377 CA VAL A 91 1.339 20.063 -7.343 1.00 0.00 C ATOM 1378 C VAL A 91 1.687 21.318 -6.619 1.00 0.00 C ATOM 1379 O VAL A 91 1.202 22.369 -7.036 1.00 0.00 O ATOM 1380 CB VAL A 91 0.223 19.318 -6.675 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.884 20.162 -6.021 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -0.435 18.396 -7.716 1.00 0.00 C ATOM 0 H VAL A 91 2.411 18.379 -6.863 1.00 0.00 H new ATOM 0 HA VAL A 91 0.992 20.305 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 91 0.700 18.789 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.628 19.503 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.450 20.795 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.360 20.787 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.251 17.844 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.826 18.996 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.305 17.694 -8.100 1.00 0.00 H new ATOM 1392 N PHE A 92 2.556 21.375 -5.594 1.00 0.00 N ATOM 1393 CA PHE A 92 2.964 22.577 -4.936 1.00 0.00 C ATOM 1394 C PHE A 92 4.096 23.198 -5.680 1.00 0.00 C ATOM 1395 O PHE A 92 4.094 24.394 -5.969 1.00 0.00 O ATOM 1396 CB PHE A 92 3.387 22.381 -3.470 1.00 0.00 C ATOM 1397 CG PHE A 92 2.224 21.945 -2.647 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.315 22.920 -2.310 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.160 20.756 -1.960 1.00 0.00 C ATOM 1400 CE1 PHE A 92 0.207 22.641 -1.545 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.133 20.529 -1.074 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.086 21.411 -0.942 1.00 0.00 C ATOM 0 H PHE A 92 2.996 20.541 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 92 2.086 23.223 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.182 21.637 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.792 23.312 -3.074 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.475 23.931 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.916 20.001 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.565 23.385 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.149 19.636 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.800 21.147 -0.384 1.00 0.00 H new ATOM 1412 N ASP A 93 5.204 22.487 -5.953 1.00 0.00 N ATOM 1413 CA ASP A 93 6.440 23.090 -6.347 1.00 0.00 C ATOM 1414 C ASP A 93 6.336 23.560 -7.757 1.00 0.00 C ATOM 1415 O ASP A 93 6.111 22.869 -8.750 1.00 0.00 O ATOM 1416 CB ASP A 93 7.626 22.119 -6.228 1.00 0.00 C ATOM 1417 CG ASP A 93 9.016 22.683 -6.483 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.163 23.932 -6.567 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.956 21.844 -6.462 1.00 0.00 O ATOM 0 H ASP A 93 5.242 21.469 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 93 6.624 23.927 -5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.614 21.692 -5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.462 21.298 -6.926 1.00 0.00 H new ATOM 1424 N LYS A 94 6.306 24.882 -8.008 1.00 0.00 N ATOM 1425 CA LYS A 94 5.906 25.493 -9.237 1.00 0.00 C ATOM 1426 C LYS A 94 6.969 25.577 -10.278 1.00 0.00 C ATOM 1427 O LYS A 94 6.777 25.272 -11.454 1.00 0.00 O ATOM 1428 CB LYS A 94 5.327 26.908 -9.070 1.00 0.00 C ATOM 1429 CG LYS A 94 4.031 26.936 -8.256 1.00 0.00 C ATOM 1430 CD LYS A 94 3.434 28.337 -8.108 1.00 0.00 C ATOM 1431 CE LYS A 94 2.973 29.087 -9.359 1.00 0.00 C ATOM 1432 NZ LYS A 94 2.017 28.300 -10.168 1.00 0.00 N ATOM 0 H LYS A 94 6.580 25.568 -7.305 1.00 0.00 H new ATOM 0 HA LYS A 94 5.132 24.804 -9.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.068 27.542 -8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.139 27.336 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.298 26.286 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.225 26.526 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.578 28.260 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.176 28.959 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.507 30.028 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.841 29.338 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.734 28.850 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.468 27.414 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.176 28.082 -9.597 1.00 0.00 H new ATOM 1446 N ASP A 95 8.171 25.999 -9.846 1.00 0.00 N ATOM 1447 CA ASP A 95 9.438 26.104 -10.502 1.00 0.00 C ATOM 1448 C ASP A 95 10.147 24.800 -10.630 1.00 0.00 C ATOM 1449 O ASP A 95 10.724 24.485 -11.669 1.00 0.00 O ATOM 1450 CB ASP A 95 10.226 27.179 -9.736 1.00 0.00 C ATOM 1451 CG ASP A 95 10.487 27.043 -8.242 1.00 0.00 C ATOM 1452 OD1 ASP A 95 11.082 26.038 -7.770 1.00 0.00 O ATOM 1453 OD2 ASP A 95 10.098 27.948 -7.457 1.00 0.00 O ATOM 0 H ASP A 95 8.260 26.316 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 95 9.315 26.402 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.197 27.271 -10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.704 28.124 -9.884 1.00 0.00 H new ATOM 1458 N GLY A 96 9.937 23.956 -9.604 1.00 0.00 N ATOM 1459 CA GLY A 96 10.506 22.644 -9.585 1.00 0.00 C ATOM 1460 C GLY A 96 11.832 22.426 -8.941 1.00 0.00 C ATOM 1461 O GLY A 96 12.565 21.528 -9.353 1.00 0.00 O ATOM 0 H GLY A 96 9.372 24.183 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.791 21.986 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.586 22.308 -10.619 1.00 0.00 H new ATOM 1465 N ASN A 97 12.198 23.217 -7.917 1.00 0.00 N ATOM 1466 CA ASN A 97 13.532 23.112 -7.412 1.00 0.00 C ATOM 1467 C ASN A 97 13.751 21.973 -6.477 1.00 0.00 C ATOM 1468 O ASN A 97 14.888 21.691 -6.103 1.00 0.00 O ATOM 1469 CB ASN A 97 14.079 24.438 -6.856 1.00 0.00 C ATOM 1470 CG ASN A 97 13.284 25.095 -5.737 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.091 24.901 -5.507 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.969 25.924 -4.905 1.00 0.00 N ATOM 0 H ASN A 97 11.600 23.902 -7.454 1.00 0.00 H new ATOM 0 HA ASN A 97 14.128 22.875 -8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.092 24.262 -6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.153 25.147 -7.681 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.493 26.364 -4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.959 26.106 -5.068 1.00 0.00 H new ATOM 1479 N GLY A 98 12.669 21.403 -5.917 1.00 0.00 N ATOM 1480 CA GLY A 98 12.765 20.407 -4.895 1.00 0.00 C ATOM 1481 C GLY A 98 12.177 20.875 -3.609 1.00 0.00 C ATOM 1482 O GLY A 98 12.256 20.115 -2.645 1.00 0.00 O ATOM 0 H GLY A 98 11.711 21.638 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.253 19.502 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.811 20.143 -4.742 1.00 0.00 H new ATOM 1486 N TYR A 99 11.624 22.101 -3.575 1.00 0.00 N ATOM 1487 CA TYR A 99 11.377 22.842 -2.377 1.00 0.00 C ATOM 1488 C TYR A 99 10.159 23.649 -2.666 1.00 0.00 C ATOM 1489 O TYR A 99 9.987 24.201 -3.752 1.00 0.00 O ATOM 1490 CB TYR A 99 12.585 23.705 -1.977 1.00 0.00 C ATOM 1491 CG TYR A 99 13.844 22.929 -1.792 1.00 0.00 C ATOM 1492 CD1 TYR A 99 14.675 22.751 -2.872 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.294 22.581 -0.540 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.908 22.176 -2.673 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.500 21.946 -0.360 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.339 21.764 -1.434 1.00 0.00 C ATOM 1497 OH TYR A 99 17.652 21.270 -1.284 1.00 0.00 O ATOM 0 H TYR A 99 11.337 22.597 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 99 11.220 22.190 -1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.746 24.464 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.354 24.230 -1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.365 23.058 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.686 22.812 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.563 22.043 -3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.787 21.592 0.619 1.00 0.00 H new ATOM 0 HH TYR A 99 17.803 21.022 -0.348 1.00 0.00 H new ATOM 1507 N ILE A 100 9.358 23.872 -1.608 1.00 0.00 N ATOM 1508 CA ILE A 100 8.158 24.642 -1.504 1.00 0.00 C ATOM 1509 C ILE A 100 8.332 25.744 -0.516 1.00 0.00 C ATOM 1510 O ILE A 100 8.703 25.542 0.639 1.00 0.00 O ATOM 1511 CB ILE A 100 7.014 23.745 -1.138 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.667 22.746 -2.255 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.723 24.473 -0.726 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.117 21.447 -1.668 1.00 0.00 C ATOM 0 H ILE A 100 9.588 23.453 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 100 7.935 25.101 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 100 7.391 23.218 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.931 23.187 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.556 22.534 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.955 23.740 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.920 25.098 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.378 25.097 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.878 20.755 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.865 20.998 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.215 21.660 -1.094 1.00 0.00 H new ATOM 1526 N SER A 101 8.053 26.982 -0.963 1.00 0.00 N ATOM 1527 CA SER A 101 7.812 28.080 -0.080 1.00 0.00 C ATOM 1528 C SER A 101 6.366 28.244 0.243 1.00 0.00 C ATOM 1529 O SER A 101 5.465 27.704 -0.397 1.00 0.00 O ATOM 1530 CB SER A 101 8.263 29.372 -0.783 1.00 0.00 C ATOM 1531 OG SER A 101 7.623 29.625 -2.025 1.00 0.00 O ATOM 0 H SER A 101 7.994 27.224 -1.952 1.00 0.00 H new ATOM 0 HA SER A 101 8.359 27.885 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.080 30.215 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.339 29.324 -0.947 1.00 0.00 H new ATOM 0 HG SER A 101 7.963 30.462 -2.404 1.00 0.00 H new ATOM 1537 N ALA A 102 6.076 28.954 1.347 1.00 0.00 N ATOM 1538 CA ALA A 102 4.755 29.414 1.646 1.00 0.00 C ATOM 1539 C ALA A 102 3.895 29.960 0.559 1.00 0.00 C ATOM 1540 O ALA A 102 2.763 29.552 0.307 1.00 0.00 O ATOM 1541 CB ALA A 102 4.981 30.416 2.791 1.00 0.00 C ATOM 0 H ALA A 102 6.772 29.214 2.046 1.00 0.00 H new ATOM 0 HA ALA A 102 4.141 28.547 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.024 30.835 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.445 29.906 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.634 31.219 2.448 1.00 0.00 H new ATOM 1547 N ALA A 103 4.454 30.739 -0.385 1.00 0.00 N ATOM 1548 CA ALA A 103 3.896 31.224 -1.609 1.00 0.00 C ATOM 1549 C ALA A 103 3.384 30.224 -2.588 1.00 0.00 C ATOM 1550 O ALA A 103 2.309 30.447 -3.141 1.00 0.00 O ATOM 1551 CB ALA A 103 4.844 32.230 -2.283 1.00 0.00 C ATOM 0 H ALA A 103 5.414 31.066 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 103 2.981 31.715 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.398 32.585 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.012 33.075 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.795 31.744 -2.500 1.00 0.00 H new ATOM 1557 N GLU A 104 4.150 29.136 -2.784 1.00 0.00 N ATOM 1558 CA GLU A 104 3.785 28.011 -3.588 1.00 0.00 C ATOM 1559 C GLU A 104 2.686 27.270 -2.909 1.00 0.00 C ATOM 1560 O GLU A 104 1.795 26.824 -3.630 1.00 0.00 O ATOM 1561 CB GLU A 104 4.965 27.055 -3.830 1.00 0.00 C ATOM 1562 CG GLU A 104 5.951 27.819 -4.717 1.00 0.00 C ATOM 1563 CD GLU A 104 7.219 27.061 -5.085 1.00 0.00 C ATOM 1564 OE1 GLU A 104 7.945 26.694 -4.123 1.00 0.00 O ATOM 1565 OE2 GLU A 104 7.611 26.870 -6.267 1.00 0.00 O ATOM 0 H GLU A 104 5.072 29.036 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 104 3.464 28.386 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.431 26.764 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.631 26.139 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.440 28.106 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.233 28.740 -4.208 1.00 0.00 H new ATOM 1572 N LEU A 105 2.661 27.140 -1.570 1.00 0.00 N ATOM 1573 CA LEU A 105 1.627 26.542 -0.784 1.00 0.00 C ATOM 1574 C LEU A 105 0.304 27.205 -0.964 1.00 0.00 C ATOM 1575 O LEU A 105 -0.757 26.618 -1.168 1.00 0.00 O ATOM 1576 CB LEU A 105 2.049 26.285 0.673 1.00 0.00 C ATOM 1577 CG LEU A 105 1.260 25.060 1.164 1.00 0.00 C ATOM 1578 CD1 LEU A 105 2.035 23.732 1.202 1.00 0.00 C ATOM 1579 CD2 LEU A 105 0.655 25.332 2.551 1.00 0.00 C ATOM 0 H LEU A 105 3.428 27.482 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 105 1.469 25.540 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.122 26.103 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.836 27.155 1.295 1.00 0.00 H new ATOM 0 HG LEU A 105 0.485 24.923 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.380 22.939 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.384 23.486 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.891 23.829 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.100 24.455 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.454 25.547 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.018 26.187 2.493 1.00 0.00 H new ATOM 1591 N ARG A 106 0.303 28.548 -1.028 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.881 29.319 -1.253 1.00 0.00 C ATOM 1593 C ARG A 106 -1.441 29.014 -2.599 1.00 0.00 C ATOM 1594 O ARG A 106 -2.628 28.707 -2.701 1.00 0.00 O ATOM 1595 CB ARG A 106 -0.528 30.811 -1.130 1.00 0.00 C ATOM 1596 CG ARG A 106 -1.520 31.771 -1.790 1.00 0.00 C ATOM 1597 CD ARG A 106 -1.194 33.243 -1.531 1.00 0.00 C ATOM 1598 NE ARG A 106 -1.324 33.499 -0.069 1.00 0.00 N ATOM 1599 CZ ARG A 106 -2.447 34.126 0.387 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -3.655 34.152 -0.248 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -2.432 34.567 1.679 1.00 0.00 N ATOM 0 H ARG A 106 1.146 29.113 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.639 29.067 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.451 31.064 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.457 30.973 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.530 31.591 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.523 31.557 -1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.184 33.474 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.872 33.887 -2.091 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.589 33.212 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.772 33.675 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.441 34.649 0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.605 34.422 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.248 35.042 2.065 1.00 0.00 H new ATOM 1615 N HIS A 107 -0.606 29.080 -3.652 1.00 0.00 N ATOM 1616 CA HIS A 107 -0.957 28.876 -5.023 1.00 0.00 C ATOM 1617 C HIS A 107 -1.604 27.591 -5.411 1.00 0.00 C ATOM 1618 O HIS A 107 -2.139 27.397 -6.502 1.00 0.00 O ATOM 1619 CB HIS A 107 0.327 29.107 -5.838 1.00 0.00 C ATOM 1620 CG HIS A 107 0.810 30.526 -5.873 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -0.012 31.613 -6.090 1.00 0.00 N ATOM 1622 CD2 HIS A 107 2.084 30.987 -5.998 1.00 0.00 C ATOM 1623 CE1 HIS A 107 0.820 32.679 -6.240 1.00 0.00 C ATOM 1624 NE2 HIS A 107 2.099 32.355 -6.180 1.00 0.00 N ATOM 0 H HIS A 107 0.385 29.291 -3.535 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.759 29.583 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.118 28.480 -5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.155 28.773 -6.861 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.966 30.365 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.470 33.689 -6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 107 2.908 32.972 -6.251 1.00 0.00 H new ATOM 1632 N VAL A 108 -1.655 26.611 -4.492 1.00 0.00 N ATOM 1633 CA VAL A 108 -2.417 25.411 -4.651 1.00 0.00 C ATOM 1634 C VAL A 108 -3.672 25.441 -3.848 1.00 0.00 C ATOM 1635 O VAL A 108 -4.733 24.994 -4.280 1.00 0.00 O ATOM 1636 CB VAL A 108 -1.552 24.254 -4.247 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -2.269 22.895 -4.308 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -0.374 24.180 -5.233 1.00 0.00 C ATOM 0 H VAL A 108 -1.149 26.655 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.720 25.311 -5.693 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.251 24.429 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.581 22.107 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.128 22.907 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.606 22.707 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.274 23.346 -4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.754 24.032 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.194 25.109 -5.191 1.00 0.00 H new ATOM 1648 N MET A 109 -3.606 25.984 -2.619 1.00 0.00 N ATOM 1649 CA MET A 109 -4.761 26.343 -1.856 1.00 0.00 C ATOM 1650 C MET A 109 -5.748 27.101 -2.676 1.00 0.00 C ATOM 1651 O MET A 109 -6.942 26.826 -2.776 1.00 0.00 O ATOM 1652 CB MET A 109 -4.567 27.049 -0.503 1.00 0.00 C ATOM 1653 CG MET A 109 -3.643 26.307 0.464 1.00 0.00 C ATOM 1654 SD MET A 109 -4.447 24.824 1.142 1.00 0.00 S ATOM 1655 CE MET A 109 -2.966 23.961 1.743 1.00 0.00 C ATOM 0 H MET A 109 -2.725 26.179 -2.143 1.00 0.00 H new ATOM 0 HA MET A 109 -5.134 25.358 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.164 28.046 -0.681 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.541 27.179 -0.030 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.726 26.022 -0.052 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.356 26.972 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.256 23.015 2.199 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.292 23.770 0.908 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.459 24.580 2.483 1.00 0.00 H new ATOM 1665 N THR A 110 -5.371 28.174 -3.394 1.00 0.00 N ATOM 1666 CA THR A 110 -6.226 29.059 -4.122 1.00 0.00 C ATOM 1667 C THR A 110 -6.724 28.340 -5.329 1.00 0.00 C ATOM 1668 O THR A 110 -7.872 28.504 -5.739 1.00 0.00 O ATOM 1669 CB THR A 110 -5.480 30.251 -4.644 1.00 0.00 C ATOM 1670 OG1 THR A 110 -4.208 29.949 -5.198 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.197 31.043 -3.357 1.00 0.00 C ATOM 0 H THR A 110 -4.390 28.442 -3.470 1.00 0.00 H new ATOM 0 HA THR A 110 -7.019 29.379 -3.446 1.00 0.00 H new ATOM 0 HB THR A 110 -6.056 30.738 -5.431 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.786 30.774 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 110 -4.648 31.952 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.140 31.307 -2.877 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.603 30.432 -2.677 1.00 0.00 H new ATOM 1679 N ASN A 111 -5.934 27.477 -5.993 1.00 0.00 N ATOM 1680 CA ASN A 111 -6.453 26.823 -7.154 1.00 0.00 C ATOM 1681 C ASN A 111 -7.619 25.936 -6.882 1.00 0.00 C ATOM 1682 O ASN A 111 -8.572 25.894 -7.658 1.00 0.00 O ATOM 1683 CB ASN A 111 -5.285 26.092 -7.836 1.00 0.00 C ATOM 1684 CG ASN A 111 -4.458 27.080 -8.647 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -4.517 28.294 -8.460 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -3.589 26.504 -9.520 1.00 0.00 N ATOM 0 H ASN A 111 -4.975 27.238 -5.741 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.869 27.573 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.658 25.610 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.667 25.305 -8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.945 27.085 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.581 25.491 -9.638 1.00 0.00 H new ATOM 1693 N LEU A 112 -7.542 25.366 -5.666 1.00 0.00 N ATOM 1694 CA LEU A 112 -8.509 24.470 -5.112 1.00 0.00 C ATOM 1695 C LEU A 112 -9.725 25.195 -4.648 1.00 0.00 C ATOM 1696 O LEU A 112 -10.798 24.596 -4.601 1.00 0.00 O ATOM 1697 CB LEU A 112 -7.924 23.633 -3.962 1.00 0.00 C ATOM 1698 CG LEU A 112 -6.773 22.750 -4.474 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -6.031 22.312 -3.200 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -7.259 21.477 -5.186 1.00 0.00 C ATOM 0 H LEU A 112 -6.760 25.541 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.796 23.790 -5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.562 24.291 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.703 23.009 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.173 23.306 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.189 21.675 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.665 23.192 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.713 21.758 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.399 20.898 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.852 20.878 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.871 21.752 -6.045 1.00 0.00 H new ATOM 1712 N GLY A 113 -9.585 26.514 -4.422 1.00 0.00 N ATOM 1713 CA GLY A 113 -10.615 27.296 -3.812 1.00 0.00 C ATOM 1714 C GLY A 113 -10.847 27.221 -2.342 1.00 0.00 C ATOM 1715 O GLY A 113 -11.952 27.409 -1.836 1.00 0.00 O ATOM 0 H GLY A 113 -8.748 27.044 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.413 28.340 -4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.553 27.031 -4.300 1.00 0.00 H new ATOM 1719 N GLU A 114 -9.775 26.880 -1.604 1.00 0.00 N ATOM 1720 CA GLU A 114 -9.792 26.867 -0.174 1.00 0.00 C ATOM 1721 C GLU A 114 -9.543 28.250 0.320 1.00 0.00 C ATOM 1722 O GLU A 114 -8.673 28.961 -0.180 1.00 0.00 O ATOM 1723 CB GLU A 114 -8.709 25.893 0.319 1.00 0.00 C ATOM 1724 CG GLU A 114 -8.897 24.423 -0.061 1.00 0.00 C ATOM 1725 CD GLU A 114 -10.155 23.872 0.594 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -10.286 24.021 1.839 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.005 23.302 -0.141 1.00 0.00 O ATOM 0 H GLU A 114 -8.879 26.608 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.758 26.534 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.746 26.226 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.656 25.962 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.969 24.325 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.029 23.844 0.255 1.00 0.00 H new ATOM 1734 N LYS A 115 -10.229 28.744 1.366 1.00 0.00 N ATOM 1735 CA LYS A 115 -10.024 30.064 1.876 1.00 0.00 C ATOM 1736 C LYS A 115 -9.107 30.145 3.048 1.00 0.00 C ATOM 1737 O LYS A 115 -9.548 29.906 4.171 1.00 0.00 O ATOM 1738 CB LYS A 115 -11.323 30.862 2.082 1.00 0.00 C ATOM 1739 CG LYS A 115 -11.979 31.140 0.728 1.00 0.00 C ATOM 1740 CD LYS A 115 -13.392 31.726 0.764 1.00 0.00 C ATOM 1741 CE LYS A 115 -14.451 30.741 1.263 1.00 0.00 C ATOM 1742 NZ LYS A 115 -14.497 29.529 0.414 1.00 0.00 N ATOM 0 H LYS A 115 -10.942 28.215 1.868 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.490 30.566 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.007 30.303 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -11.107 31.801 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.339 31.826 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.010 30.207 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.395 32.606 1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.663 32.061 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.232 30.459 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.428 31.224 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.380 29.011 0.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.457 29.805 -0.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.686 28.918 0.637 1.00 0.00 H new ATOM 1756 N LEU A 116 -7.805 30.439 2.880 1.00 0.00 N ATOM 1757 CA LEU A 116 -6.817 30.537 3.910 1.00 0.00 C ATOM 1758 C LEU A 116 -6.236 31.908 3.963 1.00 0.00 C ATOM 1759 O LEU A 116 -6.142 32.640 2.979 1.00 0.00 O ATOM 1760 CB LEU A 116 -5.609 29.610 3.694 1.00 0.00 C ATOM 1761 CG LEU A 116 -5.869 28.213 4.283 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -6.833 27.363 3.438 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -4.532 27.454 4.247 1.00 0.00 C ATOM 0 H LEU A 116 -7.415 30.622 1.955 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.352 30.263 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.398 29.525 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.725 30.045 4.160 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.296 28.356 5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.971 26.391 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.795 27.870 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.417 27.225 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.670 26.454 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.184 27.379 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.793 27.991 4.841 1.00 0.00 H new ATOM 1775 N THR A 117 -5.759 32.294 5.160 1.00 0.00 N ATOM 1776 CA THR A 117 -5.079 33.526 5.412 1.00 0.00 C ATOM 1777 C THR A 117 -3.646 33.163 5.598 1.00 0.00 C ATOM 1778 O THR A 117 -3.277 31.995 5.707 1.00 0.00 O ATOM 1779 CB THR A 117 -5.535 34.343 6.585 1.00 0.00 C ATOM 1780 OG1 THR A 117 -5.626 33.697 7.846 1.00 0.00 O ATOM 1781 CG2 THR A 117 -6.997 34.772 6.371 1.00 0.00 C ATOM 0 H THR A 117 -5.853 31.716 5.995 1.00 0.00 H new ATOM 0 HA THR A 117 -5.291 34.177 4.564 1.00 0.00 H new ATOM 0 HB THR A 117 -4.770 35.119 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 117 -6.076 32.833 7.739 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.330 35.366 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.072 35.368 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 117 -7.626 33.887 6.278 1.00 0.00 H new ATOM 1789 N ASP A 118 -2.693 34.110 5.648 1.00 0.00 N ATOM 1790 CA ASP A 118 -1.314 33.735 5.676 1.00 0.00 C ATOM 1791 C ASP A 118 -0.819 32.972 6.857 1.00 0.00 C ATOM 1792 O ASP A 118 0.038 32.091 6.823 1.00 0.00 O ATOM 1793 CB ASP A 118 -0.519 35.051 5.677 1.00 0.00 C ATOM 1794 CG ASP A 118 -0.896 36.004 4.551 1.00 0.00 C ATOM 1795 OD1 ASP A 118 -0.715 35.730 3.335 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -1.327 37.137 4.896 1.00 0.00 O ATOM 0 H ASP A 118 -2.871 35.114 5.669 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.187 33.067 4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.671 35.555 6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.544 34.821 5.604 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.489 33.172 8.006 1.00 0.00 N ATOM 1802 CA GLU A 119 -1.110 32.557 9.240 1.00 0.00 C ATOM 1803 C GLU A 119 -1.415 31.099 9.283 1.00 0.00 C ATOM 1804 O GLU A 119 -0.722 30.269 9.868 1.00 0.00 O ATOM 1805 CB GLU A 119 -1.738 33.285 10.441 1.00 0.00 C ATOM 1806 CG GLU A 119 -3.262 33.350 10.320 1.00 0.00 C ATOM 1807 CD GLU A 119 -3.937 34.376 11.218 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.881 35.603 10.934 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -4.740 34.054 12.134 1.00 0.00 O ATOM 0 H GLU A 119 -2.310 33.773 8.079 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.026 32.650 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.466 32.771 11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.333 34.295 10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.520 33.571 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -3.671 32.366 10.547 1.00 0.00 H new ATOM 1816 N GLU A 120 -2.444 30.722 8.503 1.00 0.00 N ATOM 1817 CA GLU A 120 -2.813 29.367 8.230 1.00 0.00 C ATOM 1818 C GLU A 120 -1.766 28.599 7.498 1.00 0.00 C ATOM 1819 O GLU A 120 -1.216 27.602 7.963 1.00 0.00 O ATOM 1820 CB GLU A 120 -4.153 29.278 7.481 1.00 0.00 C ATOM 1821 CG GLU A 120 -5.152 29.872 8.476 1.00 0.00 C ATOM 1822 CD GLU A 120 -6.513 30.029 7.812 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -7.344 29.093 7.666 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -6.901 31.212 7.616 1.00 0.00 O ATOM 0 H GLU A 120 -3.050 31.398 8.038 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.924 28.902 9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.131 29.842 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.403 28.248 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.236 29.226 9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.796 30.840 8.829 1.00 0.00 H new ATOM 1831 N VAL A 121 -1.398 29.165 6.335 1.00 0.00 N ATOM 1832 CA VAL A 121 -0.419 28.728 5.389 1.00 0.00 C ATOM 1833 C VAL A 121 0.942 28.542 5.967 1.00 0.00 C ATOM 1834 O VAL A 121 1.656 27.572 5.717 1.00 0.00 O ATOM 1835 CB VAL A 121 -0.344 29.668 4.223 1.00 0.00 C ATOM 1836 CG1 VAL A 121 0.487 29.238 3.003 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -1.793 29.745 3.715 1.00 0.00 C ATOM 0 H VAL A 121 -1.841 30.030 6.025 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.758 27.746 5.058 1.00 0.00 H new ATOM 0 HB VAL A 121 0.135 30.576 4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 121 0.447 30.018 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.522 29.079 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.082 28.312 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.842 30.414 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -2.129 28.751 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -2.437 30.125 4.508 1.00 0.00 H new ATOM 1847 N ASP A 122 1.359 29.573 6.723 1.00 0.00 N ATOM 1848 CA ASP A 122 2.518 29.591 7.561 1.00 0.00 C ATOM 1849 C ASP A 122 2.637 28.485 8.552 1.00 0.00 C ATOM 1850 O ASP A 122 3.701 27.896 8.740 1.00 0.00 O ATOM 1851 CB ASP A 122 2.584 30.943 8.291 1.00 0.00 C ATOM 1852 CG ASP A 122 3.925 31.390 8.856 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.708 31.951 8.043 1.00 0.00 O ATOM 1854 OD2 ASP A 122 4.117 31.285 10.097 1.00 0.00 O ATOM 0 H ASP A 122 0.850 30.456 6.750 1.00 0.00 H new ATOM 0 HA ASP A 122 3.358 29.439 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.241 31.712 7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.869 30.913 9.114 1.00 0.00 H new ATOM 1859 N GLU A 123 1.570 28.155 9.301 1.00 0.00 N ATOM 1860 CA GLU A 123 1.511 27.014 10.162 1.00 0.00 C ATOM 1861 C GLU A 123 1.782 25.736 9.444 1.00 0.00 C ATOM 1862 O GLU A 123 2.477 24.876 9.982 1.00 0.00 O ATOM 1863 CB GLU A 123 0.182 26.853 10.918 1.00 0.00 C ATOM 1864 CG GLU A 123 0.274 25.835 12.056 1.00 0.00 C ATOM 1865 CD GLU A 123 -0.707 26.360 13.095 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -0.534 27.505 13.590 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -1.670 25.608 13.405 1.00 0.00 O ATOM 0 H GLU A 123 0.712 28.706 9.307 1.00 0.00 H new ATOM 0 HA GLU A 123 2.298 27.216 10.888 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.121 27.819 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.594 26.542 10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.003 24.834 11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.286 25.774 12.457 1.00 0.00 H new ATOM 1874 N MET A 124 1.218 25.484 8.249 1.00 0.00 N ATOM 1875 CA MET A 124 1.409 24.357 7.391 1.00 0.00 C ATOM 1876 C MET A 124 2.802 24.224 6.880 1.00 0.00 C ATOM 1877 O MET A 124 3.197 23.106 6.553 1.00 0.00 O ATOM 1878 CB MET A 124 0.424 24.369 6.210 1.00 0.00 C ATOM 1879 CG MET A 124 -1.001 24.446 6.760 1.00 0.00 C ATOM 1880 SD MET A 124 -2.286 24.015 5.549 1.00 0.00 S ATOM 1881 CE MET A 124 -3.612 24.518 6.684 1.00 0.00 C ATOM 0 H MET A 124 0.556 26.145 7.843 1.00 0.00 H new ATOM 0 HA MET A 124 1.211 23.488 8.019 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.624 25.220 5.560 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.548 23.470 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.085 23.778 7.617 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.184 25.457 7.125 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.579 24.365 6.204 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.559 23.919 7.593 1.00 0.00 H new ATOM 0 HE3 MET A 124 -3.495 25.572 6.936 1.00 0.00 H new ATOM 1891 N ILE A 125 3.574 25.318 6.747 1.00 0.00 N ATOM 1892 CA ILE A 125 4.970 25.255 6.446 1.00 0.00 C ATOM 1893 C ILE A 125 5.747 24.854 7.653 1.00 0.00 C ATOM 1894 O ILE A 125 6.540 23.915 7.595 1.00 0.00 O ATOM 1895 CB ILE A 125 5.546 26.533 5.913 1.00 0.00 C ATOM 1896 CG1 ILE A 125 4.969 26.993 4.563 1.00 0.00 C ATOM 1897 CG2 ILE A 125 7.068 26.451 5.709 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.215 25.970 3.455 1.00 0.00 C ATOM 0 H ILE A 125 3.219 26.269 6.851 1.00 0.00 H new ATOM 0 HA ILE A 125 5.055 24.509 5.655 1.00 0.00 H new ATOM 0 HB ILE A 125 5.273 27.250 6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.898 27.164 4.667 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.418 27.946 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.435 27.402 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.552 26.236 6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.298 25.657 4.998 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.791 26.337 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.287 25.818 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.743 25.024 3.721 1.00 0.00 H new ATOM 1910 N ARG A 126 5.592 25.606 8.757 1.00 0.00 N ATOM 1911 CA ARG A 126 6.221 25.338 10.013 1.00 0.00 C ATOM 1912 C ARG A 126 6.006 23.966 10.553 1.00 0.00 C ATOM 1913 O ARG A 126 6.973 23.313 10.943 1.00 0.00 O ATOM 1914 CB ARG A 126 5.957 26.520 10.961 1.00 0.00 C ATOM 1915 CG ARG A 126 6.989 27.644 10.854 1.00 0.00 C ATOM 1916 CD ARG A 126 6.851 28.847 11.790 1.00 0.00 C ATOM 1917 NE ARG A 126 5.463 29.378 11.692 1.00 0.00 N ATOM 1918 CZ ARG A 126 4.501 29.364 12.661 1.00 0.00 C ATOM 1919 NH1 ARG A 126 4.634 28.664 13.826 1.00 0.00 N ATOM 1920 NH2 ARG A 126 3.511 30.291 12.510 1.00 0.00 N ATOM 0 H ARG A 126 5.002 26.438 8.775 1.00 0.00 H new ATOM 0 HA ARG A 126 7.300 25.288 9.870 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.968 26.927 10.751 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.939 26.153 11.987 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.974 27.207 11.017 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.971 28.016 9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.070 28.553 12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.570 29.620 11.519 1.00 0.00 H new ATOM 0 HE ARG A 126 5.202 29.800 10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 126 5.480 28.121 14.001 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.888 28.684 14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 126 3.527 30.930 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.755 30.345 13.192 1.00 0.00 H new ATOM 1934 N GLU A 127 4.811 23.350 10.545 1.00 0.00 N ATOM 1935 CA GLU A 127 4.658 21.978 10.919 1.00 0.00 C ATOM 1936 C GLU A 127 5.440 21.032 10.074 1.00 0.00 C ATOM 1937 O GLU A 127 5.964 19.997 10.482 1.00 0.00 O ATOM 1938 CB GLU A 127 3.232 21.418 11.049 1.00 0.00 C ATOM 1939 CG GLU A 127 2.509 22.084 12.221 1.00 0.00 C ATOM 1940 CD GLU A 127 2.977 21.704 13.619 1.00 0.00 C ATOM 1941 OE1 GLU A 127 2.936 20.461 13.820 1.00 0.00 O ATOM 1942 OE2 GLU A 127 3.426 22.553 14.435 1.00 0.00 O ATOM 0 H GLU A 127 3.940 23.809 10.276 1.00 0.00 H new ATOM 0 HA GLU A 127 5.060 22.032 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.680 21.591 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.269 20.339 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.607 23.164 12.111 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.447 21.851 12.143 1.00 0.00 H new ATOM 1949 N ALA A 128 5.476 21.328 8.762 1.00 0.00 N ATOM 1950 CA ALA A 128 6.205 20.554 7.805 1.00 0.00 C ATOM 1951 C ALA A 128 7.694 20.581 7.775 1.00 0.00 C ATOM 1952 O ALA A 128 8.350 19.544 7.857 1.00 0.00 O ATOM 1953 CB ALA A 128 5.603 20.757 6.405 1.00 0.00 C ATOM 0 H ALA A 128 4.986 22.125 8.356 1.00 0.00 H new ATOM 0 HA ALA A 128 6.061 19.544 8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.162 20.166 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.561 20.438 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.659 21.811 6.134 1.00 0.00 H new ATOM 1959 N ASP A 129 8.248 21.806 7.828 1.00 0.00 N ATOM 1960 CA ASP A 129 9.649 22.053 7.977 1.00 0.00 C ATOM 1961 C ASP A 129 10.283 21.506 9.209 1.00 0.00 C ATOM 1962 O ASP A 129 9.860 21.694 10.349 1.00 0.00 O ATOM 1963 CB ASP A 129 9.947 23.557 7.860 1.00 0.00 C ATOM 1964 CG ASP A 129 11.447 23.813 7.839 1.00 0.00 C ATOM 1965 OD1 ASP A 129 12.191 23.289 6.968 1.00 0.00 O ATOM 1966 OD2 ASP A 129 11.931 24.725 8.561 1.00 0.00 O ATOM 0 H ASP A 129 7.695 22.661 7.764 1.00 0.00 H new ATOM 0 HA ASP A 129 10.105 21.498 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.494 23.952 6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 129 9.495 24.088 8.698 1.00 0.00 H new ATOM 1971 N ILE A 130 11.353 20.722 8.982 1.00 0.00 N ATOM 1972 CA ILE A 130 12.060 19.884 9.900 1.00 0.00 C ATOM 1973 C ILE A 130 13.382 20.485 10.234 1.00 0.00 C ATOM 1974 O ILE A 130 13.663 20.753 11.402 1.00 0.00 O ATOM 1975 CB ILE A 130 12.322 18.482 9.435 1.00 0.00 C ATOM 1976 CG1 ILE A 130 10.967 17.767 9.303 1.00 0.00 C ATOM 1977 CG2 ILE A 130 13.065 17.688 10.522 1.00 0.00 C ATOM 1978 CD1 ILE A 130 10.962 16.388 8.644 1.00 0.00 C ATOM 0 H ILE A 130 11.765 20.673 8.050 1.00 0.00 H new ATOM 0 HA ILE A 130 11.391 19.819 10.758 1.00 0.00 H new ATOM 0 HB ILE A 130 12.892 18.529 8.507 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.541 17.665 10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.298 18.414 8.736 1.00 0.00 H new ATOM 0 HG21 ILE A 130 13.248 16.673 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.016 18.173 10.741 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.458 17.654 11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.943 16.001 8.617 1.00 0.00 H new ATOM 0 HD12 ILE A 130 11.346 16.469 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.593 15.709 9.217 1.00 0.00 H new ATOM 1990 N ASP A 131 14.207 20.868 9.244 1.00 0.00 N ATOM 1991 CA ASP A 131 15.467 21.540 9.325 1.00 0.00 C ATOM 1992 C ASP A 131 15.438 22.940 9.832 1.00 0.00 C ATOM 1993 O ASP A 131 15.725 23.195 11.001 1.00 0.00 O ATOM 1994 CB ASP A 131 16.263 21.260 8.039 1.00 0.00 C ATOM 1995 CG ASP A 131 15.550 21.675 6.759 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.426 22.895 6.472 1.00 0.00 O ATOM 1997 OD2 ASP A 131 15.133 20.844 5.909 1.00 0.00 O ATOM 0 H ASP A 131 13.958 20.683 8.272 1.00 0.00 H new ATOM 0 HA ASP A 131 16.038 21.110 10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 131 17.218 21.783 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 131 16.486 20.194 7.988 1.00 0.00 H new ATOM 2002 N GLY A 132 15.043 23.922 9.002 1.00 0.00 N ATOM 2003 CA GLY A 132 15.089 25.285 9.431 1.00 0.00 C ATOM 2004 C GLY A 132 14.907 26.327 8.381 1.00 0.00 C ATOM 2005 O GLY A 132 14.592 27.491 8.621 1.00 0.00 O ATOM 0 H GLY A 132 14.698 23.778 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 132 14.319 25.429 10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 132 16.050 25.456 9.916 1.00 0.00 H new ATOM 2009 N ASP A 133 14.948 25.936 7.095 1.00 0.00 N ATOM 2010 CA ASP A 133 15.065 26.854 6.006 1.00 0.00 C ATOM 2011 C ASP A 133 13.836 27.655 5.745 1.00 0.00 C ATOM 2012 O ASP A 133 13.962 28.785 5.276 1.00 0.00 O ATOM 2013 CB ASP A 133 15.604 26.139 4.755 1.00 0.00 C ATOM 2014 CG ASP A 133 14.904 24.961 4.092 1.00 0.00 C ATOM 2015 OD1 ASP A 133 13.794 24.569 4.540 1.00 0.00 O ATOM 2016 OD2 ASP A 133 15.551 24.391 3.174 1.00 0.00 O ATOM 0 H ASP A 133 14.899 24.959 6.806 1.00 0.00 H new ATOM 0 HA ASP A 133 15.798 27.604 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 133 15.711 26.904 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 133 16.608 25.797 5.006 1.00 0.00 H new ATOM 2021 N GLY A 134 12.665 27.148 6.170 1.00 0.00 N ATOM 2022 CA GLY A 134 11.365 27.676 5.899 1.00 0.00 C ATOM 2023 C GLY A 134 10.744 27.140 4.655 1.00 0.00 C ATOM 2024 O GLY A 134 9.709 27.621 4.196 1.00 0.00 O ATOM 0 H GLY A 134 12.626 26.307 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.711 27.457 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.433 28.761 5.821 1.00 0.00 H new ATOM 2028 N GLN A 135 11.365 26.092 4.085 1.00 0.00 N ATOM 2029 CA GLN A 135 10.943 25.406 2.903 1.00 0.00 C ATOM 2030 C GLN A 135 10.645 23.974 3.186 1.00 0.00 C ATOM 2031 O GLN A 135 11.290 23.460 4.098 1.00 0.00 O ATOM 2032 CB GLN A 135 12.048 25.447 1.834 1.00 0.00 C ATOM 2033 CG GLN A 135 12.686 26.829 1.676 1.00 0.00 C ATOM 2034 CD GLN A 135 13.432 26.827 0.349 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.037 27.298 -0.717 1.00 0.00 O ATOM 2036 NE2 GLN A 135 14.635 26.196 0.415 1.00 0.00 N ATOM 0 H GLN A 135 12.220 25.698 4.477 1.00 0.00 H new ATOM 0 HA GLN A 135 10.044 25.909 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 135 12.822 24.725 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.630 25.136 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.925 27.609 1.689 1.00 0.00 H new ATOM 0 HG3 GLN A 135 13.368 27.035 2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 135 14.959 25.807 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 135 15.213 26.112 -0.421 1.00 0.00 H new ATOM 2045 N VAL A 136 9.762 23.366 2.374 1.00 0.00 N ATOM 2046 CA VAL A 136 9.317 22.018 2.549 1.00 0.00 C ATOM 2047 C VAL A 136 9.945 21.360 1.369 1.00 0.00 C ATOM 2048 O VAL A 136 9.746 21.750 0.219 1.00 0.00 O ATOM 2049 CB VAL A 136 7.818 21.968 2.579 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.355 20.508 2.721 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.339 22.757 3.809 1.00 0.00 C ATOM 0 H VAL A 136 9.343 23.829 1.567 1.00 0.00 H new ATOM 0 HA VAL A 136 9.595 21.530 3.483 1.00 0.00 H new ATOM 0 HB VAL A 136 7.411 22.392 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.266 20.472 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.720 19.926 1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.750 20.089 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.250 22.736 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 136 7.748 22.305 4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.679 23.790 3.734 1.00 0.00 H new ATOM 2061 N ASN A 137 10.819 20.390 1.693 1.00 0.00 N ATOM 2062 CA ASN A 137 11.439 19.475 0.786 1.00 0.00 C ATOM 2063 C ASN A 137 10.719 18.172 0.742 1.00 0.00 C ATOM 2064 O ASN A 137 9.783 17.996 1.521 1.00 0.00 O ATOM 2065 CB ASN A 137 12.960 19.353 0.977 1.00 0.00 C ATOM 2066 CG ASN A 137 13.532 18.396 2.013 1.00 0.00 C ATOM 2067 OD1 ASN A 137 13.257 17.200 2.091 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.572 18.863 2.754 1.00 0.00 N ATOM 0 H ASN A 137 11.112 20.235 2.658 1.00 0.00 H new ATOM 0 HA ASN A 137 11.341 19.905 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 137 13.385 19.075 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 137 13.336 20.348 1.216 1.00 0.00 H new ATOM 0 HD21 ASN A 137 15.099 18.226 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 137 14.826 19.850 2.712 1.00 0.00 H new ATOM 2075 N TYR A 138 11.145 17.200 -0.085 1.00 0.00 N ATOM 2076 CA TYR A 138 10.554 15.920 -0.325 1.00 0.00 C ATOM 2077 C TYR A 138 10.481 15.070 0.897 1.00 0.00 C ATOM 2078 O TYR A 138 9.387 14.589 1.190 1.00 0.00 O ATOM 2079 CB TYR A 138 11.097 15.208 -1.575 1.00 0.00 C ATOM 2080 CG TYR A 138 10.103 14.148 -1.905 1.00 0.00 C ATOM 2081 CD1 TYR A 138 9.005 14.505 -2.652 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.271 12.802 -1.680 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.047 13.622 -3.090 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.328 11.874 -2.054 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.201 12.310 -2.709 1.00 0.00 C ATOM 2086 OH TYR A 138 7.170 11.394 -3.011 1.00 0.00 O ATOM 0 H TYR A 138 11.991 17.327 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 138 9.513 16.121 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.212 15.907 -2.403 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.079 14.776 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.888 15.547 -2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.173 12.463 -1.193 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.216 13.942 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 138 9.470 10.825 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 138 7.417 10.504 -2.683 1.00 0.00 H new ATOM 2096 N GLU A 139 11.638 14.975 1.577 1.00 0.00 N ATOM 2097 CA GLU A 139 11.769 14.217 2.782 1.00 0.00 C ATOM 2098 C GLU A 139 10.900 14.774 3.857 1.00 0.00 C ATOM 2099 O GLU A 139 10.287 14.119 4.699 1.00 0.00 O ATOM 2100 CB GLU A 139 13.195 14.183 3.356 1.00 0.00 C ATOM 2101 CG GLU A 139 13.978 13.126 2.575 1.00 0.00 C ATOM 2102 CD GLU A 139 15.344 13.004 3.235 1.00 0.00 C ATOM 2103 OE1 GLU A 139 16.055 14.044 3.227 1.00 0.00 O ATOM 2104 OE2 GLU A 139 15.807 11.936 3.717 1.00 0.00 O ATOM 0 H GLU A 139 12.500 15.434 1.283 1.00 0.00 H new ATOM 0 HA GLU A 139 11.479 13.207 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.670 15.160 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.175 13.939 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.456 12.170 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.080 13.416 1.529 1.00 0.00 H new ATOM 2111 N GLU A 140 10.744 16.104 3.984 1.00 0.00 N ATOM 2112 CA GLU A 140 9.804 16.712 4.873 1.00 0.00 C ATOM 2113 C GLU A 140 8.361 16.496 4.569 1.00 0.00 C ATOM 2114 O GLU A 140 7.590 16.284 5.504 1.00 0.00 O ATOM 2115 CB GLU A 140 10.101 18.210 5.052 1.00 0.00 C ATOM 2116 CG GLU A 140 11.620 18.372 5.134 1.00 0.00 C ATOM 2117 CD GLU A 140 12.002 19.831 5.340 1.00 0.00 C ATOM 2118 OE1 GLU A 140 11.833 20.601 4.358 1.00 0.00 O ATOM 2119 OE2 GLU A 140 12.512 20.340 6.375 1.00 0.00 O ATOM 0 H GLU A 140 11.291 16.779 3.449 1.00 0.00 H new ATOM 0 HA GLU A 140 9.959 16.178 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 140 9.699 18.783 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.626 18.590 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 140 12.010 17.771 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 140 12.079 17.998 4.219 1.00 0.00 H new ATOM 2126 N PHE A 141 7.920 16.562 3.300 1.00 0.00 N ATOM 2127 CA PHE A 141 6.679 16.256 2.659 1.00 0.00 C ATOM 2128 C PHE A 141 6.278 14.867 3.021 1.00 0.00 C ATOM 2129 O PHE A 141 5.210 14.614 3.577 1.00 0.00 O ATOM 2130 CB PHE A 141 6.740 16.497 1.141 1.00 0.00 C ATOM 2131 CG PHE A 141 5.341 16.759 0.700 1.00 0.00 C ATOM 2132 CD1 PHE A 141 4.742 17.969 0.960 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.808 15.954 -0.279 1.00 0.00 C ATOM 2134 CE1 PHE A 141 3.609 18.419 0.324 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.577 16.262 -0.808 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.087 17.527 -0.583 1.00 0.00 C ATOM 0 H PHE A 141 8.573 16.898 2.593 1.00 0.00 H new ATOM 0 HA PHE A 141 5.906 16.936 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.386 17.344 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.153 15.630 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.189 18.605 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.351 15.088 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.169 19.386 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.016 15.537 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.231 17.843 -1.160 1.00 0.00 H new ATOM 2146 N VAL A 142 7.206 13.911 2.837 1.00 0.00 N ATOM 2147 CA VAL A 142 6.964 12.516 3.040 1.00 0.00 C ATOM 2148 C VAL A 142 6.791 12.200 4.486 1.00 0.00 C ATOM 2149 O VAL A 142 6.022 11.353 4.936 1.00 0.00 O ATOM 2150 CB VAL A 142 7.994 11.700 2.317 1.00 0.00 C ATOM 2151 CG1 VAL A 142 8.207 10.266 2.830 1.00 0.00 C ATOM 2152 CG2 VAL A 142 7.581 11.581 0.840 1.00 0.00 C ATOM 0 H VAL A 142 8.159 14.116 2.536 1.00 0.00 H new ATOM 0 HA VAL A 142 6.011 12.234 2.594 1.00 0.00 H new ATOM 0 HB VAL A 142 8.930 12.234 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 142 8.974 9.775 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 142 8.525 10.296 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.273 9.709 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.322 10.990 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 142 6.608 11.094 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.520 12.575 0.398 1.00 0.00 H new ATOM 2162 N GLN A 143 7.578 12.877 5.341 1.00 0.00 N ATOM 2163 CA GLN A 143 7.594 12.662 6.755 1.00 0.00 C ATOM 2164 C GLN A 143 6.383 13.186 7.447 1.00 0.00 C ATOM 2165 O GLN A 143 6.002 12.666 8.495 1.00 0.00 O ATOM 2166 CB GLN A 143 8.844 13.272 7.412 1.00 0.00 C ATOM 2167 CG GLN A 143 9.996 12.266 7.448 1.00 0.00 C ATOM 2168 CD GLN A 143 11.292 12.948 7.864 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.620 12.795 9.040 1.00 0.00 O ATOM 2170 NE2 GLN A 143 11.918 13.752 6.964 1.00 0.00 N ATOM 0 H GLN A 143 8.228 13.602 5.036 1.00 0.00 H new ATOM 0 HA GLN A 143 7.608 11.578 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 143 9.151 14.161 6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 143 8.606 13.592 8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 143 9.762 11.462 8.146 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.118 11.810 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 143 11.571 13.813 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.735 14.294 7.246 1.00 0.00 H new ATOM 2179 N MET A 144 5.683 14.218 6.944 1.00 0.00 N ATOM 2180 CA MET A 144 4.503 14.870 7.421 1.00 0.00 C ATOM 2181 C MET A 144 3.316 13.992 7.223 1.00 0.00 C ATOM 2182 O MET A 144 2.370 13.930 8.007 1.00 0.00 O ATOM 2183 CB MET A 144 4.325 16.153 6.591 1.00 0.00 C ATOM 2184 CG MET A 144 3.033 16.916 6.891 1.00 0.00 C ATOM 2185 SD MET A 144 2.885 18.502 6.015 1.00 0.00 S ATOM 2186 CE MET A 144 2.758 17.984 4.279 1.00 0.00 C ATOM 0 H MET A 144 5.995 14.654 6.076 1.00 0.00 H new ATOM 0 HA MET A 144 4.595 15.093 8.484 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.174 16.812 6.773 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.344 15.894 5.532 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.183 16.287 6.627 1.00 0.00 H new ATOM 0 HG3 MET A 144 2.973 17.099 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.574 18.856 3.652 1.00 0.00 H new ATOM 0 HE2 MET A 144 3.689 17.507 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 144 1.935 17.278 4.169 1.00 0.00 H new ATOM 2196 N MET A 145 3.447 13.256 6.105 1.00 0.00 N ATOM 2197 CA MET A 145 2.434 12.373 5.613 1.00 0.00 C ATOM 2198 C MET A 145 2.431 11.148 6.461 1.00 0.00 C ATOM 2199 O MET A 145 1.390 10.530 6.678 1.00 0.00 O ATOM 2200 CB MET A 145 2.435 12.088 4.102 1.00 0.00 C ATOM 2201 CG MET A 145 1.988 13.412 3.479 1.00 0.00 C ATOM 2202 SD MET A 145 2.284 13.665 1.703 1.00 0.00 S ATOM 2203 CE MET A 145 1.487 15.295 1.782 1.00 0.00 C ATOM 0 H MET A 145 4.285 13.276 5.524 1.00 0.00 H new ATOM 0 HA MET A 145 1.484 12.898 5.707 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.425 11.795 3.751 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.753 11.276 3.848 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.918 13.520 3.658 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.484 14.219 4.018 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.038 15.528 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.713 15.285 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.231 16.052 2.028 1.00 0.00 H new