USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 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 41 SER OG : rot -7:sc= 1.39 USER MOD Set 1.2: A 69 MET CE :methyl 146:sc= -1.19 (180deg=-4.77!) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.15! X(o=-2.9!,f=-3.4) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= -0.788 USER MOD Set 2.3: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot -101:sc= -0.604! USER MOD Set 3.2: A 17 SER OG : rot 146:sc= -0.692! USER MOD Single : A 7 SER OG : rot 155:sc= -1.03! USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 11 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.22) USER MOD Single : A 14 SER OG : rot 29:sc= 0.927 USER MOD Single : A 16 LYS NZ :NH3+ -128:sc= -0.49 (180deg=-2.83!) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= -0.0186 (180deg=-0.0714) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.25) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.79 X(o=-0.79,f=-0.71) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= -3.7! (180deg=-5.05!) USER MOD Single : A 54 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.24) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0228 (180deg=-0.341) USER MOD Single : A 59 HIS : no HD1:sc=-0.00634 X(o=-0.0063,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 66 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -11! C(o=-13!,f=-11!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 150:sc= -0.0299 USER MOD Single : A 89 TYR OH : rot -126:sc= 0.134 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 93 MET CE :methyl -130:sc= -1.16 (180deg=-2.9!) USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= -0.0291 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 65 N PRO A 5 9.661 11.035 -4.912 1.00 0.00 N ATOM 66 CA PRO A 5 9.914 9.560 -4.823 1.00 0.00 C ATOM 67 C PRO A 5 8.947 8.842 -3.868 1.00 0.00 C ATOM 68 O PRO A 5 8.330 9.479 -3.016 1.00 0.00 O ATOM 69 CB PRO A 5 11.365 9.467 -4.314 1.00 0.00 C ATOM 70 CG PRO A 5 11.990 10.768 -4.695 1.00 0.00 C ATOM 71 CD PRO A 5 10.875 11.806 -4.598 1.00 0.00 C ATOM 0 HA PRO A 5 9.759 9.069 -5.784 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.396 9.315 -3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.891 8.628 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.815 11.016 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.398 10.725 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.824 12.248 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.025 12.624 -5.303 1.00 0.00 H new ATOM 79 N PRO A 6 8.817 7.536 -3.993 1.00 0.00 N ATOM 80 CA PRO A 6 7.924 6.712 -3.119 1.00 0.00 C ATOM 81 C PRO A 6 7.924 7.122 -1.642 1.00 0.00 C ATOM 82 O PRO A 6 8.660 8.014 -1.221 1.00 0.00 O ATOM 83 CB PRO A 6 8.487 5.304 -3.310 1.00 0.00 C ATOM 84 CG PRO A 6 8.887 5.291 -4.735 1.00 0.00 C ATOM 85 CD PRO A 6 9.491 6.676 -4.998 1.00 0.00 C ATOM 0 HA PRO A 6 6.876 6.824 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.335 5.117 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.741 4.539 -3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.612 4.502 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.030 5.106 -5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.573 6.675 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.294 7.015 -6.015 1.00 0.00 H new ATOM 93 N SER A 7 7.057 6.460 -0.874 1.00 0.00 N ATOM 94 CA SER A 7 6.896 6.742 0.550 1.00 0.00 C ATOM 95 C SER A 7 6.237 5.547 1.237 1.00 0.00 C ATOM 96 O SER A 7 5.353 5.705 2.080 1.00 0.00 O ATOM 97 CB SER A 7 5.995 7.971 0.680 1.00 0.00 C ATOM 98 OG SER A 7 5.301 7.959 1.917 1.00 0.00 O ATOM 0 H SER A 7 6.450 5.717 -1.221 1.00 0.00 H new ATOM 0 HA SER A 7 7.863 6.924 1.018 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.596 8.877 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.280 7.992 -0.143 1.00 0.00 H new ATOM 0 HG SER A 7 5.061 8.876 2.166 1.00 0.00 H new ATOM 104 N ILE A 8 6.637 4.343 0.840 1.00 0.00 N ATOM 105 CA ILE A 8 6.041 3.127 1.385 1.00 0.00 C ATOM 106 C ILE A 8 7.095 2.185 1.946 1.00 0.00 C ATOM 107 O ILE A 8 8.061 1.831 1.271 1.00 0.00 O ATOM 108 CB ILE A 8 5.276 2.402 0.270 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.419 3.392 -0.540 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.397 1.302 0.864 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.156 3.792 0.201 1.00 0.00 C ATOM 0 H ILE A 8 7.368 4.183 0.146 1.00 0.00 H new ATOM 0 HA ILE A 8 5.372 3.414 2.196 1.00 0.00 H new ATOM 0 HB ILE A 8 6.002 1.949 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.007 4.283 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.151 2.941 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.859 0.794 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.022 0.583 1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.682 1.743 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.583 4.491 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.554 2.905 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.423 4.267 1.145 1.00 0.00 H new ATOM 123 N HIS A 9 6.867 1.763 3.179 1.00 0.00 N ATOM 124 CA HIS A 9 7.751 0.824 3.864 1.00 0.00 C ATOM 125 C HIS A 9 6.928 -0.372 4.332 1.00 0.00 C ATOM 126 O HIS A 9 6.004 -0.220 5.132 1.00 0.00 O ATOM 127 CB HIS A 9 8.406 1.509 5.062 1.00 0.00 C ATOM 128 CG HIS A 9 9.364 2.561 4.573 1.00 0.00 C ATOM 129 ND1 HIS A 9 8.963 3.860 4.307 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.708 2.518 4.294 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.046 4.541 3.888 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.137 3.769 3.861 1.00 0.00 N ATOM 0 H HIS A 9 6.066 2.059 3.736 1.00 0.00 H new ATOM 0 HA HIS A 9 8.534 0.488 3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.645 1.962 5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.934 0.775 5.671 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.337 1.646 4.395 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.035 5.584 3.608 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.081 4.039 3.583 1.00 0.00 H new ATOM 140 N GLY A 10 7.239 -1.558 3.809 1.00 0.00 N ATOM 141 CA GLY A 10 6.489 -2.766 4.162 1.00 0.00 C ATOM 142 C GLY A 10 7.208 -3.618 5.197 1.00 0.00 C ATOM 143 O GLY A 10 8.436 -3.700 5.221 1.00 0.00 O ATOM 0 H GLY A 10 7.998 -1.709 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.510 -2.482 4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.318 -3.359 3.264 1.00 0.00 H new ATOM 147 N GLN A 11 6.406 -4.269 6.034 1.00 0.00 N ATOM 148 CA GLN A 11 6.913 -5.155 7.079 1.00 0.00 C ATOM 149 C GLN A 11 5.926 -6.317 7.249 1.00 0.00 C ATOM 150 O GLN A 11 4.720 -6.086 7.331 1.00 0.00 O ATOM 151 CB GLN A 11 7.041 -4.388 8.403 1.00 0.00 C ATOM 152 CG GLN A 11 8.327 -3.555 8.401 1.00 0.00 C ATOM 153 CD GLN A 11 9.538 -4.467 8.568 1.00 0.00 C ATOM 154 OE1 GLN A 11 10.356 -4.586 7.656 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.699 -5.124 9.685 1.00 0.00 N ATOM 0 H GLN A 11 5.389 -4.198 6.008 1.00 0.00 H new ATOM 0 HA GLN A 11 7.896 -5.533 6.800 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.177 -3.738 8.542 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.052 -5.087 9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.407 -2.997 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.298 -2.824 9.209 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.019 -5.023 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.505 -5.738 9.804 1.00 0.00 H new ATOM 164 N PRO A 12 6.381 -7.551 7.290 1.00 0.00 N ATOM 165 CA PRO A 12 5.460 -8.717 7.436 1.00 0.00 C ATOM 166 C PRO A 12 4.912 -8.852 8.856 1.00 0.00 C ATOM 167 O PRO A 12 5.585 -9.380 9.742 1.00 0.00 O ATOM 168 CB PRO A 12 6.346 -9.914 7.066 1.00 0.00 C ATOM 169 CG PRO A 12 7.727 -9.493 7.452 1.00 0.00 C ATOM 170 CD PRO A 12 7.792 -7.982 7.203 1.00 0.00 C ATOM 0 HA PRO A 12 4.573 -8.624 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.041 -10.813 7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.283 -10.140 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.928 -9.725 8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.475 -10.019 6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.411 -7.480 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.220 -7.755 6.227 1.00 0.00 H new ATOM 178 N SER A 13 3.681 -8.392 9.058 1.00 0.00 N ATOM 179 CA SER A 13 3.048 -8.490 10.367 1.00 0.00 C ATOM 180 C SER A 13 2.499 -9.900 10.557 1.00 0.00 C ATOM 181 O SER A 13 2.421 -10.673 9.601 1.00 0.00 O ATOM 182 CB SER A 13 1.916 -7.469 10.485 1.00 0.00 C ATOM 183 OG SER A 13 0.735 -8.010 9.911 1.00 0.00 O ATOM 0 H SER A 13 3.107 -7.952 8.339 1.00 0.00 H new ATOM 0 HA SER A 13 3.787 -8.280 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.744 -7.219 11.532 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.190 -6.544 9.977 1.00 0.00 H new ATOM 0 HG SER A 13 0.602 -7.631 9.017 1.00 0.00 H new ATOM 189 N SER A 14 2.125 -10.238 11.785 1.00 0.00 N ATOM 190 CA SER A 14 1.591 -11.570 12.058 1.00 0.00 C ATOM 191 C SER A 14 0.593 -11.983 10.977 1.00 0.00 C ATOM 192 O SER A 14 -0.491 -11.408 10.866 1.00 0.00 O ATOM 193 CB SER A 14 0.902 -11.586 13.423 1.00 0.00 C ATOM 194 OG SER A 14 -0.237 -10.737 13.386 1.00 0.00 O ATOM 0 H SER A 14 2.179 -9.622 12.596 1.00 0.00 H new ATOM 0 HA SER A 14 2.419 -12.278 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.604 -12.602 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.594 -11.251 14.196 1.00 0.00 H new ATOM 0 HG SER A 14 -0.597 -10.712 12.475 1.00 0.00 H new ATOM 200 N GLY A 15 0.969 -12.987 10.182 1.00 0.00 N ATOM 201 CA GLY A 15 0.108 -13.482 9.104 1.00 0.00 C ATOM 202 C GLY A 15 0.586 -12.990 7.741 1.00 0.00 C ATOM 203 O GLY A 15 1.668 -12.416 7.619 1.00 0.00 O ATOM 0 H GLY A 15 1.862 -13.473 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.097 -14.572 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.917 -13.151 9.273 1.00 0.00 H new ATOM 207 N LYS A 16 -0.224 -13.242 6.717 1.00 0.00 N ATOM 208 CA LYS A 16 0.125 -12.842 5.358 1.00 0.00 C ATOM 209 C LYS A 16 -0.053 -11.341 5.160 1.00 0.00 C ATOM 210 O LYS A 16 0.346 -10.796 4.135 1.00 0.00 O ATOM 211 CB LYS A 16 -0.749 -13.602 4.346 1.00 0.00 C ATOM 212 CG LYS A 16 -0.945 -15.058 4.810 1.00 0.00 C ATOM 213 CD LYS A 16 -1.258 -15.963 3.610 1.00 0.00 C ATOM 214 CE LYS A 16 -2.603 -15.571 3.003 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.041 -16.621 2.042 1.00 0.00 N ATOM 0 H LYS A 16 -1.122 -13.719 6.801 1.00 0.00 H new ATOM 0 HA LYS A 16 1.174 -13.088 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.716 -13.110 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.280 -13.585 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.045 -15.410 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.758 -15.110 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.471 -15.874 2.861 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.281 -17.006 3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.347 -15.450 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.518 -14.611 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.279 -16.180 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.272 -17.308 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.878 -17.109 2.419 1.00 0.00 H new ATOM 229 N SER A 17 -0.656 -10.674 6.133 1.00 0.00 N ATOM 230 CA SER A 17 -0.873 -9.239 6.017 1.00 0.00 C ATOM 231 C SER A 17 0.458 -8.489 6.023 1.00 0.00 C ATOM 232 O SER A 17 1.385 -8.861 6.742 1.00 0.00 O ATOM 233 CB SER A 17 -1.747 -8.753 7.172 1.00 0.00 C ATOM 234 OG SER A 17 -0.927 -8.481 8.300 1.00 0.00 O ATOM 0 H SER A 17 -0.999 -11.094 6.997 1.00 0.00 H new ATOM 0 HA SER A 17 -1.378 -9.040 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.291 -7.855 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.491 -9.509 7.423 1.00 0.00 H new ATOM 0 HG SER A 17 -1.298 -7.723 8.799 1.00 0.00 H new ATOM 240 N PHE A 18 0.547 -7.422 5.216 1.00 0.00 N ATOM 241 CA PHE A 18 1.771 -6.613 5.135 1.00 0.00 C ATOM 242 C PHE A 18 1.469 -5.177 5.562 1.00 0.00 C ATOM 243 O PHE A 18 0.565 -4.538 5.022 1.00 0.00 O ATOM 244 CB PHE A 18 2.319 -6.637 3.682 1.00 0.00 C ATOM 245 CG PHE A 18 3.793 -6.991 3.662 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.192 -8.332 3.723 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.757 -5.980 3.573 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.553 -8.659 3.694 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.116 -6.312 3.546 1.00 0.00 C ATOM 250 CZ PHE A 18 6.513 -7.643 3.605 1.00 0.00 C ATOM 0 H PHE A 18 -0.210 -7.100 4.613 1.00 0.00 H new ATOM 0 HA PHE A 18 2.525 -7.029 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.759 -7.362 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.169 -5.663 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.450 -9.114 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.452 -4.945 3.525 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.862 -9.693 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.859 -5.531 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.563 -7.894 3.582 1.00 0.00 H new ATOM 260 N LYS A 19 2.229 -4.675 6.530 1.00 0.00 N ATOM 261 CA LYS A 19 2.030 -3.313 7.011 1.00 0.00 C ATOM 262 C LYS A 19 2.820 -2.331 6.156 1.00 0.00 C ATOM 263 O LYS A 19 4.025 -2.166 6.340 1.00 0.00 O ATOM 264 CB LYS A 19 2.489 -3.199 8.471 1.00 0.00 C ATOM 265 CG LYS A 19 2.227 -1.763 9.015 1.00 0.00 C ATOM 266 CD LYS A 19 3.528 -1.136 9.532 1.00 0.00 C ATOM 267 CE LYS A 19 3.251 0.291 10.007 1.00 0.00 C ATOM 268 NZ LYS A 19 4.520 0.909 10.488 1.00 0.00 N ATOM 0 H LYS A 19 2.981 -5.185 6.993 1.00 0.00 H new ATOM 0 HA LYS A 19 0.969 -3.074 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.959 -3.928 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.551 -3.434 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.806 -1.141 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.491 -1.801 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.931 -1.732 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.280 -1.129 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.832 0.882 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.512 0.282 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.354 1.910 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.848 0.410 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.244 0.838 9.745 1.00 0.00 H new ATOM 282 N LEU A 20 2.132 -1.670 5.225 1.00 0.00 N ATOM 283 CA LEU A 20 2.782 -0.697 4.350 1.00 0.00 C ATOM 284 C LEU A 20 2.573 0.704 4.918 1.00 0.00 C ATOM 285 O LEU A 20 1.519 1.310 4.727 1.00 0.00 O ATOM 286 CB LEU A 20 2.203 -0.766 2.923 1.00 0.00 C ATOM 287 CG LEU A 20 1.954 -2.228 2.498 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.999 -2.248 1.306 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.274 -2.877 2.077 1.00 0.00 C ATOM 0 H LEU A 20 1.133 -1.790 5.059 1.00 0.00 H new ATOM 0 HA LEU A 20 3.846 -0.927 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.269 -0.206 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.892 -0.292 2.224 1.00 0.00 H new ATOM 0 HG LEU A 20 1.525 -2.777 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.819 -3.279 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.054 -1.783 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.441 -1.696 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.093 -3.909 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.699 -2.326 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.972 -2.859 2.914 1.00 0.00 H new ATOM 301 N SER A 21 3.575 1.201 5.627 1.00 0.00 N ATOM 302 CA SER A 21 3.492 2.519 6.234 1.00 0.00 C ATOM 303 C SER A 21 3.561 3.612 5.176 1.00 0.00 C ATOM 304 O SER A 21 4.475 3.629 4.352 1.00 0.00 O ATOM 305 CB SER A 21 4.645 2.703 7.222 1.00 0.00 C ATOM 306 OG SER A 21 4.630 4.033 7.722 1.00 0.00 O ATOM 0 H SER A 21 4.454 0.712 5.796 1.00 0.00 H new ATOM 0 HA SER A 21 2.537 2.596 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.551 1.993 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.596 2.498 6.730 1.00 0.00 H new ATOM 0 HG SER A 21 5.367 4.152 8.356 1.00 0.00 H new ATOM 312 N ILE A 22 2.609 4.545 5.220 1.00 0.00 N ATOM 313 CA ILE A 22 2.605 5.650 4.273 1.00 0.00 C ATOM 314 C ILE A 22 3.369 6.806 4.919 1.00 0.00 C ATOM 315 O ILE A 22 2.901 7.381 5.898 1.00 0.00 O ATOM 316 CB ILE A 22 1.155 6.108 3.964 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.150 4.951 4.093 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.085 6.657 2.542 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.417 3.843 3.069 1.00 0.00 C ATOM 0 H ILE A 22 1.843 4.555 5.893 1.00 0.00 H new ATOM 0 HA ILE A 22 3.068 5.337 3.337 1.00 0.00 H new ATOM 0 HB ILE A 22 0.892 6.877 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.203 4.535 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.862 5.333 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.066 6.978 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.761 7.506 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.377 5.879 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.316 3.046 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.338 4.252 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.419 3.442 3.220 1.00 0.00 H new ATOM 331 N THR A 23 4.543 7.142 4.395 1.00 0.00 N ATOM 332 CA THR A 23 5.320 8.228 4.989 1.00 0.00 C ATOM 333 C THR A 23 4.741 9.575 4.578 1.00 0.00 C ATOM 334 O THR A 23 4.528 9.838 3.397 1.00 0.00 O ATOM 335 CB THR A 23 6.804 8.122 4.591 1.00 0.00 C ATOM 336 OG1 THR A 23 7.402 7.051 5.306 1.00 0.00 O ATOM 337 CG2 THR A 23 7.540 9.423 4.929 1.00 0.00 C ATOM 0 H THR A 23 4.970 6.694 3.584 1.00 0.00 H new ATOM 0 HA THR A 23 5.260 8.144 6.074 1.00 0.00 H new ATOM 0 HB THR A 23 6.872 7.943 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.347 6.977 5.055 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.588 9.333 4.642 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.084 10.251 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.472 9.612 6.000 1.00 0.00 H new ATOM 345 N LYS A 24 4.484 10.417 5.580 1.00 0.00 N ATOM 346 CA LYS A 24 3.920 11.746 5.359 1.00 0.00 C ATOM 347 C LYS A 24 4.435 12.344 4.059 1.00 0.00 C ATOM 348 O LYS A 24 5.582 12.781 3.973 1.00 0.00 O ATOM 349 CB LYS A 24 4.307 12.686 6.506 1.00 0.00 C ATOM 350 CG LYS A 24 3.986 12.054 7.888 1.00 0.00 C ATOM 351 CD LYS A 24 5.185 11.266 8.474 1.00 0.00 C ATOM 352 CE LYS A 24 6.459 12.127 8.533 1.00 0.00 C ATOM 353 NZ LYS A 24 7.255 11.751 9.734 1.00 0.00 N ATOM 0 H LYS A 24 4.660 10.198 6.560 1.00 0.00 H new ATOM 0 HA LYS A 24 2.836 11.639 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.371 12.916 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.771 13.629 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.697 12.841 8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.130 11.386 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.936 10.916 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.372 10.382 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.052 11.981 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.195 13.184 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.117 12.332 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.688 11.912 10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.518 10.746 9.676 1.00 0.00 H new ATOM 367 N GLN A 25 3.574 12.362 3.057 1.00 0.00 N ATOM 368 CA GLN A 25 3.940 12.914 1.765 1.00 0.00 C ATOM 369 C GLN A 25 3.754 14.426 1.787 1.00 0.00 C ATOM 370 O GLN A 25 2.646 14.923 1.994 1.00 0.00 O ATOM 371 CB GLN A 25 3.080 12.276 0.671 1.00 0.00 C ATOM 372 CG GLN A 25 3.466 10.798 0.536 1.00 0.00 C ATOM 373 CD GLN A 25 2.636 10.132 -0.556 1.00 0.00 C ATOM 374 OE1 GLN A 25 1.411 10.068 -0.457 1.00 0.00 O ATOM 375 NE2 GLN A 25 3.237 9.623 -1.594 1.00 0.00 N ATOM 0 H GLN A 25 2.621 12.003 3.112 1.00 0.00 H new ATOM 0 HA GLN A 25 4.987 12.695 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.023 12.368 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.230 12.793 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.527 10.712 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.309 10.286 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.252 9.678 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.692 9.170 -2.328 1.00 0.00 H new ATOM 384 N ASP A 26 4.850 15.152 1.592 1.00 0.00 N ATOM 385 CA ASP A 26 4.805 16.610 1.612 1.00 0.00 C ATOM 386 C ASP A 26 3.698 17.119 0.696 1.00 0.00 C ATOM 387 O ASP A 26 3.356 18.300 0.715 1.00 0.00 O ATOM 388 CB ASP A 26 6.154 17.176 1.157 1.00 0.00 C ATOM 389 CG ASP A 26 6.281 18.636 1.581 1.00 0.00 C ATOM 390 OD1 ASP A 26 6.533 18.873 2.750 1.00 0.00 O ATOM 391 OD2 ASP A 26 6.129 19.496 0.727 1.00 0.00 O ATOM 0 H ASP A 26 5.775 14.758 1.419 1.00 0.00 H new ATOM 0 HA ASP A 26 4.598 16.941 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.966 16.592 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.244 17.095 0.074 1.00 0.00 H new ATOM 396 N ASP A 27 3.145 16.216 -0.101 1.00 0.00 N ATOM 397 CA ASP A 27 2.079 16.580 -1.021 1.00 0.00 C ATOM 398 C ASP A 27 2.557 17.675 -1.960 1.00 0.00 C ATOM 399 O ASP A 27 3.651 18.215 -1.793 1.00 0.00 O ATOM 400 CB ASP A 27 0.849 17.066 -0.241 1.00 0.00 C ATOM 401 CG ASP A 27 -0.353 17.132 -1.174 1.00 0.00 C ATOM 402 OD1 ASP A 27 -0.770 16.087 -1.637 1.00 0.00 O ATOM 403 OD2 ASP A 27 -0.836 18.227 -1.411 1.00 0.00 O ATOM 0 H ASP A 27 3.415 15.233 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 27 1.804 15.701 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.642 16.390 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.043 18.049 0.189 1.00 0.00 H new ATOM 408 N GLY A 28 1.740 17.998 -2.952 1.00 0.00 N ATOM 409 CA GLY A 28 2.107 19.028 -3.911 1.00 0.00 C ATOM 410 C GLY A 28 2.206 20.393 -3.243 1.00 0.00 C ATOM 411 O GLY A 28 3.184 21.116 -3.435 1.00 0.00 O ATOM 0 H GLY A 28 0.829 17.567 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.062 18.776 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.367 19.064 -4.711 1.00 0.00 H new ATOM 415 N GLY A 29 1.193 20.739 -2.460 1.00 0.00 N ATOM 416 CA GLY A 29 1.186 22.023 -1.771 1.00 0.00 C ATOM 417 C GLY A 29 -0.089 22.209 -0.956 1.00 0.00 C ATOM 418 O GLY A 29 -0.506 23.337 -0.693 1.00 0.00 O ATOM 0 H GLY A 29 0.374 20.156 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.053 22.090 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.275 22.829 -2.499 1.00 0.00 H new ATOM 422 N ALA A 30 -0.706 21.100 -0.548 1.00 0.00 N ATOM 423 CA ALA A 30 -1.928 21.161 0.245 1.00 0.00 C ATOM 424 C ALA A 30 -2.033 19.914 1.123 1.00 0.00 C ATOM 425 O ALA A 30 -1.507 18.860 0.765 1.00 0.00 O ATOM 426 CB ALA A 30 -3.143 21.261 -0.687 1.00 0.00 C ATOM 0 H ALA A 30 -0.380 20.155 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.903 22.042 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.055 21.306 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.062 22.162 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.177 20.386 -1.336 1.00 0.00 H new ATOM 432 N PRO A 31 -2.685 20.002 2.255 1.00 0.00 N ATOM 433 CA PRO A 31 -2.829 18.838 3.172 1.00 0.00 C ATOM 434 C PRO A 31 -3.749 17.774 2.582 1.00 0.00 C ATOM 435 O PRO A 31 -4.693 18.087 1.855 1.00 0.00 O ATOM 436 CB PRO A 31 -3.409 19.459 4.451 1.00 0.00 C ATOM 437 CG PRO A 31 -4.157 20.660 3.978 1.00 0.00 C ATOM 438 CD PRO A 31 -3.363 21.200 2.785 1.00 0.00 C ATOM 0 HA PRO A 31 -1.888 18.318 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.067 18.760 4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.620 19.733 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.174 20.398 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.235 21.408 4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.016 21.654 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.648 21.964 3.091 1.00 0.00 H new ATOM 446 N ILE A 32 -3.449 16.516 2.881 1.00 0.00 N ATOM 447 CA ILE A 32 -4.231 15.397 2.359 1.00 0.00 C ATOM 448 C ILE A 32 -5.366 15.011 3.295 1.00 0.00 C ATOM 449 O ILE A 32 -5.155 14.757 4.482 1.00 0.00 O ATOM 450 CB ILE A 32 -3.297 14.202 2.162 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.248 14.541 1.061 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.129 12.969 1.758 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.825 14.281 1.566 1.00 0.00 C ATOM 0 H ILE A 32 -2.671 16.243 3.481 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.679 15.699 1.412 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.770 13.982 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.439 13.939 0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.349 15.585 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.468 12.114 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.850 12.743 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.658 13.176 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.110 14.525 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.630 14.903 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.722 13.230 1.838 1.00 0.00 H new ATOM 465 N LEU A 33 -6.569 14.949 2.741 1.00 0.00 N ATOM 466 CA LEU A 33 -7.738 14.565 3.519 1.00 0.00 C ATOM 467 C LEU A 33 -7.740 13.056 3.761 1.00 0.00 C ATOM 468 O LEU A 33 -7.989 12.596 4.875 1.00 0.00 O ATOM 469 CB LEU A 33 -9.019 14.975 2.773 1.00 0.00 C ATOM 470 CG LEU A 33 -9.306 16.478 2.967 1.00 0.00 C ATOM 471 CD1 LEU A 33 -9.805 16.763 4.396 1.00 0.00 C ATOM 472 CD2 LEU A 33 -8.034 17.289 2.691 1.00 0.00 C ATOM 0 H LEU A 33 -6.760 15.158 1.761 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.703 15.076 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.914 14.754 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.862 14.389 3.138 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.086 16.772 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.000 17.830 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.723 16.205 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.045 16.456 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.242 18.350 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.249 16.980 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.706 17.114 1.666 1.00 0.00 H new ATOM 484 N GLU A 34 -7.457 12.296 2.701 1.00 0.00 N ATOM 485 CA GLU A 34 -7.429 10.833 2.778 1.00 0.00 C ATOM 486 C GLU A 34 -6.474 10.254 1.750 1.00 0.00 C ATOM 487 O GLU A 34 -6.036 10.942 0.828 1.00 0.00 O ATOM 488 CB GLU A 34 -8.821 10.243 2.518 1.00 0.00 C ATOM 489 CG GLU A 34 -9.702 10.460 3.736 1.00 0.00 C ATOM 490 CD GLU A 34 -11.080 9.852 3.503 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.291 9.298 2.438 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.908 9.952 4.395 1.00 0.00 O ATOM 0 H GLU A 34 -7.243 12.670 1.777 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.097 10.573 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.269 10.715 1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.741 9.178 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.240 10.007 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.797 11.527 3.940 1.00 0.00 H new ATOM 499 N TYR A 35 -6.173 8.969 1.912 1.00 0.00 N ATOM 500 CA TYR A 35 -5.285 8.267 0.993 1.00 0.00 C ATOM 501 C TYR A 35 -6.045 7.171 0.252 1.00 0.00 C ATOM 502 O TYR A 35 -6.625 6.280 0.867 1.00 0.00 O ATOM 503 CB TYR A 35 -4.128 7.627 1.774 1.00 0.00 C ATOM 504 CG TYR A 35 -3.028 8.628 2.039 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.285 9.758 2.814 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.746 8.411 1.524 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.256 10.675 3.079 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.718 9.319 1.792 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.972 10.452 2.567 1.00 0.00 C ATOM 510 OH TYR A 35 0.047 11.340 2.838 1.00 0.00 O ATOM 0 H TYR A 35 -6.532 8.392 2.673 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.895 8.987 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.499 7.232 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.728 6.784 1.211 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.275 9.928 3.210 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.550 7.539 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.454 11.552 3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.273 9.144 1.400 1.00 0.00 H new ATOM 0 HH TYR A 35 0.872 11.033 2.406 1.00 0.00 H new ATOM 520 N ILE A 36 -6.004 7.224 -1.073 1.00 0.00 N ATOM 521 CA ILE A 36 -6.657 6.210 -1.890 1.00 0.00 C ATOM 522 C ILE A 36 -5.627 5.161 -2.272 1.00 0.00 C ATOM 523 O ILE A 36 -4.714 5.429 -3.053 1.00 0.00 O ATOM 524 CB ILE A 36 -7.228 6.853 -3.149 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.267 7.899 -2.740 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.883 5.775 -4.021 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.687 8.713 -3.964 1.00 0.00 C ATOM 0 H ILE A 36 -5.528 7.954 -1.603 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.471 5.748 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.432 7.333 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.136 7.410 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.853 8.558 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.292 6.234 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.138 5.030 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.686 5.294 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.427 9.457 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.815 9.215 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.119 8.048 -4.712 1.00 0.00 H new ATOM 539 N VAL A 37 -5.763 3.974 -1.694 1.00 0.00 N ATOM 540 CA VAL A 37 -4.826 2.888 -1.950 1.00 0.00 C ATOM 541 C VAL A 37 -5.495 1.777 -2.730 1.00 0.00 C ATOM 542 O VAL A 37 -6.557 1.285 -2.344 1.00 0.00 O ATOM 543 CB VAL A 37 -4.333 2.340 -0.610 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.296 1.238 -0.861 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.723 3.488 0.231 1.00 0.00 C ATOM 0 H VAL A 37 -6.514 3.739 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.990 3.268 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.169 1.914 -0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.943 0.846 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.752 0.433 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.454 1.650 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.373 3.094 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.885 3.929 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.481 4.251 0.410 1.00 0.00 H new ATOM 555 N LYS A 38 -4.863 1.373 -3.828 1.00 0.00 N ATOM 556 CA LYS A 38 -5.395 0.302 -4.661 1.00 0.00 C ATOM 557 C LYS A 38 -4.326 -0.769 -4.836 1.00 0.00 C ATOM 558 O LYS A 38 -3.160 -0.450 -5.039 1.00 0.00 O ATOM 559 CB LYS A 38 -5.799 0.854 -6.030 1.00 0.00 C ATOM 560 CG LYS A 38 -6.865 1.943 -5.858 1.00 0.00 C ATOM 561 CD LYS A 38 -7.273 2.509 -7.229 1.00 0.00 C ATOM 562 CE LYS A 38 -8.380 1.649 -7.852 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.684 1.989 -7.215 1.00 0.00 N ATOM 0 H LYS A 38 -3.984 1.770 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.274 -0.128 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.926 1.264 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.185 0.050 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.738 1.531 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.479 2.743 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.621 3.536 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.408 2.536 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.431 1.823 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.158 0.591 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.275 1.135 -7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.517 2.360 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.171 2.710 -7.785 1.00 0.00 H new ATOM 577 N TYR A 39 -4.713 -2.041 -4.755 1.00 0.00 N ATOM 578 CA TYR A 39 -3.742 -3.129 -4.905 1.00 0.00 C ATOM 579 C TYR A 39 -4.339 -4.287 -5.700 1.00 0.00 C ATOM 580 O TYR A 39 -5.559 -4.455 -5.754 1.00 0.00 O ATOM 581 CB TYR A 39 -3.289 -3.621 -3.526 1.00 0.00 C ATOM 582 CG TYR A 39 -4.465 -4.172 -2.753 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.305 -3.310 -2.032 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.709 -5.550 -2.749 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.386 -3.831 -1.311 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.789 -6.069 -2.028 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.628 -5.210 -1.309 1.00 0.00 C ATOM 588 OH TYR A 39 -7.695 -5.723 -0.599 1.00 0.00 O ATOM 0 H TYR A 39 -5.673 -2.343 -4.590 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.881 -2.745 -5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.527 -4.392 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.833 -2.801 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.118 -2.246 -2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.062 -6.214 -3.304 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.034 -3.169 -0.756 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.976 -7.133 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.720 -6.697 -0.705 1.00 0.00 H new ATOM 598 N ARG A 40 -3.469 -5.081 -6.326 1.00 0.00 N ATOM 599 CA ARG A 40 -3.913 -6.221 -7.130 1.00 0.00 C ATOM 600 C ARG A 40 -2.885 -7.351 -7.094 1.00 0.00 C ATOM 601 O ARG A 40 -1.806 -7.191 -6.534 1.00 0.00 O ATOM 602 CB ARG A 40 -4.141 -5.787 -8.580 1.00 0.00 C ATOM 603 CG ARG A 40 -2.845 -5.210 -9.189 1.00 0.00 C ATOM 604 CD ARG A 40 -2.900 -5.318 -10.714 1.00 0.00 C ATOM 605 NE ARG A 40 -1.661 -4.825 -11.304 1.00 0.00 N ATOM 606 CZ ARG A 40 -1.603 -4.457 -12.581 1.00 0.00 C ATOM 607 NH1 ARG A 40 -2.680 -4.476 -13.316 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.471 -4.060 -13.094 1.00 0.00 N ATOM 0 H ARG A 40 -2.457 -4.957 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.849 -6.586 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.478 -6.639 -9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.932 -5.038 -8.620 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.725 -4.168 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.980 -5.752 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.061 -6.356 -11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.745 -4.745 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.823 -4.761 -10.726 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.568 -4.773 -12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.634 -4.194 -14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.369 -4.032 -12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.426 -3.778 -14.073 1.00 0.00 H new ATOM 622 N SER A 41 -3.225 -8.482 -7.713 1.00 0.00 N ATOM 623 CA SER A 41 -2.318 -9.629 -7.766 1.00 0.00 C ATOM 624 C SER A 41 -1.405 -9.524 -8.987 1.00 0.00 C ATOM 625 O SER A 41 -1.857 -9.170 -10.074 1.00 0.00 O ATOM 626 CB SER A 41 -3.128 -10.928 -7.840 1.00 0.00 C ATOM 627 OG SER A 41 -3.616 -11.253 -6.546 1.00 0.00 O ATOM 0 H SER A 41 -4.118 -8.628 -8.183 1.00 0.00 H new ATOM 0 HA SER A 41 -1.706 -9.635 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.959 -10.812 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.504 -11.737 -8.220 1.00 0.00 H new ATOM 0 HG SER A 41 -3.233 -10.637 -5.888 1.00 0.00 H new ATOM 633 N LYS A 42 -0.125 -9.835 -8.806 1.00 0.00 N ATOM 634 CA LYS A 42 0.829 -9.770 -9.911 1.00 0.00 C ATOM 635 C LYS A 42 0.516 -10.798 -11.001 1.00 0.00 C ATOM 636 O LYS A 42 0.750 -10.544 -12.182 1.00 0.00 O ATOM 637 CB LYS A 42 2.266 -9.969 -9.405 1.00 0.00 C ATOM 638 CG LYS A 42 2.759 -8.683 -8.733 1.00 0.00 C ATOM 639 CD LYS A 42 4.250 -8.799 -8.412 1.00 0.00 C ATOM 640 CE LYS A 42 4.706 -7.523 -7.702 1.00 0.00 C ATOM 641 NZ LYS A 42 6.168 -7.605 -7.419 1.00 0.00 N ATOM 0 H LYS A 42 0.274 -10.132 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 42 0.737 -8.776 -10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.301 -10.797 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.921 -10.231 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.585 -7.830 -9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.195 -8.501 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.433 -9.668 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.822 -8.945 -9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.494 -6.653 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.152 -7.394 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.477 -6.737 -6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.358 -8.426 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.689 -7.709 -8.313 1.00 0.00 H new ATOM 655 N ASP A 43 0.010 -11.959 -10.606 1.00 0.00 N ATOM 656 CA ASP A 43 -0.298 -13.008 -11.578 1.00 0.00 C ATOM 657 C ASP A 43 -1.349 -12.529 -12.568 1.00 0.00 C ATOM 658 O ASP A 43 -1.612 -13.188 -13.575 1.00 0.00 O ATOM 659 CB ASP A 43 -0.801 -14.262 -10.854 1.00 0.00 C ATOM 660 CG ASP A 43 0.373 -15.057 -10.288 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.149 -14.480 -9.542 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.482 -16.228 -10.613 1.00 0.00 O ATOM 0 H ASP A 43 -0.194 -12.199 -9.636 1.00 0.00 H new ATOM 0 HA ASP A 43 0.613 -13.249 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.478 -13.978 -10.048 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.371 -14.884 -11.544 1.00 0.00 H new ATOM 667 N LYS A 44 -1.957 -11.388 -12.271 1.00 0.00 N ATOM 668 CA LYS A 44 -2.992 -10.824 -13.122 1.00 0.00 C ATOM 669 C LYS A 44 -2.841 -9.317 -13.191 1.00 0.00 C ATOM 670 O LYS A 44 -2.181 -8.705 -12.352 1.00 0.00 O ATOM 671 CB LYS A 44 -4.356 -11.182 -12.551 1.00 0.00 C ATOM 672 CG LYS A 44 -4.596 -12.684 -12.725 1.00 0.00 C ATOM 673 CD LYS A 44 -5.889 -13.087 -12.016 1.00 0.00 C ATOM 674 CE LYS A 44 -5.702 -12.964 -10.496 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.670 -13.863 -9.809 1.00 0.00 N ATOM 0 H LYS A 44 -1.748 -10.833 -11.441 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.899 -11.232 -14.129 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.403 -10.914 -11.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.136 -10.616 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.659 -12.931 -13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.756 -13.246 -12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.710 -12.450 -12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.156 -14.111 -12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.682 -13.230 -10.220 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.859 -11.932 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.547 -13.783 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.640 -13.589 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.500 -14.846 -10.103 1.00 0.00 H new ATOM 689 N GLU A 45 -3.447 -8.725 -14.203 1.00 0.00 N ATOM 690 CA GLU A 45 -3.374 -7.274 -14.394 1.00 0.00 C ATOM 691 C GLU A 45 -4.643 -6.744 -15.056 1.00 0.00 C ATOM 692 O GLU A 45 -4.574 -6.025 -16.053 1.00 0.00 O ATOM 693 CB GLU A 45 -2.169 -6.907 -15.274 1.00 0.00 C ATOM 694 CG GLU A 45 -0.858 -7.242 -14.553 1.00 0.00 C ATOM 695 CD GLU A 45 0.329 -6.835 -15.420 1.00 0.00 C ATOM 696 OE1 GLU A 45 0.104 -6.220 -16.448 1.00 0.00 O ATOM 697 OE2 GLU A 45 1.447 -7.142 -15.038 1.00 0.00 O ATOM 0 H GLU A 45 -3.996 -9.218 -14.908 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.265 -6.820 -13.409 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.221 -7.450 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.197 -5.844 -15.515 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.816 -6.722 -13.596 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.813 -8.310 -14.338 1.00 0.00 H new ATOM 704 N ASP A 46 -5.803 -7.093 -14.499 1.00 0.00 N ATOM 705 CA ASP A 46 -7.080 -6.634 -15.053 1.00 0.00 C ATOM 706 C ASP A 46 -8.056 -6.261 -13.941 1.00 0.00 C ATOM 707 O ASP A 46 -9.215 -5.941 -14.204 1.00 0.00 O ATOM 708 CB ASP A 46 -7.695 -7.730 -15.926 1.00 0.00 C ATOM 709 CG ASP A 46 -8.858 -7.161 -16.732 1.00 0.00 C ATOM 710 OD1 ASP A 46 -8.839 -5.971 -17.004 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.751 -7.921 -17.067 1.00 0.00 O ATOM 0 H ASP A 46 -5.887 -7.686 -13.673 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.888 -5.748 -15.658 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.940 -8.138 -16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.043 -8.553 -15.301 1.00 0.00 H new ATOM 716 N GLN A 47 -7.583 -6.306 -12.695 1.00 0.00 N ATOM 717 CA GLN A 47 -8.426 -5.971 -11.544 1.00 0.00 C ATOM 718 C GLN A 47 -7.644 -5.136 -10.534 1.00 0.00 C ATOM 719 O GLN A 47 -6.449 -5.349 -10.334 1.00 0.00 O ATOM 720 CB GLN A 47 -8.913 -7.258 -10.868 1.00 0.00 C ATOM 721 CG GLN A 47 -9.836 -8.028 -11.817 1.00 0.00 C ATOM 722 CD GLN A 47 -11.119 -7.240 -12.056 1.00 0.00 C ATOM 723 OE1 GLN A 47 -11.848 -6.939 -11.110 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.440 -6.881 -13.269 1.00 0.00 N ATOM 0 H GLN A 47 -6.627 -6.569 -12.456 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.280 -5.393 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.061 -7.879 -10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.443 -7.017 -9.947 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.328 -8.207 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.073 -9.004 -11.393 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.835 -7.131 -14.052 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.295 -6.351 -13.434 1.00 0.00 H new ATOM 733 N TRP A 48 -8.330 -4.189 -9.894 1.00 0.00 N ATOM 734 CA TRP A 48 -7.697 -3.323 -8.894 1.00 0.00 C ATOM 735 C TRP A 48 -8.649 -3.066 -7.728 1.00 0.00 C ATOM 736 O TRP A 48 -9.661 -2.380 -7.871 1.00 0.00 O ATOM 737 CB TRP A 48 -7.281 -1.985 -9.533 1.00 0.00 C ATOM 738 CG TRP A 48 -5.965 -2.123 -10.237 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.803 -2.422 -11.548 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.624 -1.955 -9.692 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.448 -2.448 -11.836 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.682 -2.163 -10.724 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.141 -1.645 -8.411 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.309 -2.063 -10.491 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.764 -1.544 -8.173 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.848 -1.750 -9.211 1.00 0.00 C ATOM 0 H TRP A 48 -9.321 -4.001 -10.048 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.808 -3.829 -8.517 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.045 -1.660 -10.239 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.209 -1.215 -8.764 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.599 -2.609 -12.253 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.063 -2.653 -12.758 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.837 -1.483 -7.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.608 -2.227 -11.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.407 -1.306 -7.182 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.788 -1.667 -9.022 1.00 0.00 H new ATOM 757 N LEU A 49 -8.294 -3.607 -6.568 1.00 0.00 N ATOM 758 CA LEU A 49 -9.097 -3.421 -5.360 1.00 0.00 C ATOM 759 C LEU A 49 -8.857 -2.020 -4.810 1.00 0.00 C ATOM 760 O LEU A 49 -7.863 -1.392 -5.156 1.00 0.00 O ATOM 761 CB LEU A 49 -8.722 -4.469 -4.310 1.00 0.00 C ATOM 762 CG LEU A 49 -9.059 -5.876 -4.827 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.556 -6.914 -3.819 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.583 -6.030 -5.013 1.00 0.00 C ATOM 0 H LEU A 49 -7.458 -4.177 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.152 -3.540 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.658 -4.402 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.260 -4.275 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.574 -6.029 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.792 -7.915 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.477 -6.815 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.041 -6.751 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.805 -7.032 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.084 -5.874 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.938 -5.293 -5.733 1.00 0.00 H new ATOM 776 N GLU A 50 -9.778 -1.514 -3.977 1.00 0.00 N ATOM 777 CA GLU A 50 -9.643 -0.158 -3.412 1.00 0.00 C ATOM 778 C GLU A 50 -9.579 -0.177 -1.887 1.00 0.00 C ATOM 779 O GLU A 50 -10.138 -1.057 -1.233 1.00 0.00 O ATOM 780 CB GLU A 50 -10.813 0.715 -3.871 1.00 0.00 C ATOM 781 CG GLU A 50 -12.127 0.133 -3.350 1.00 0.00 C ATOM 782 CD GLU A 50 -13.301 0.958 -3.865 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.269 1.338 -5.023 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.216 1.195 -3.094 1.00 0.00 O ATOM 0 H GLU A 50 -10.616 -2.014 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.704 0.259 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.685 1.733 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.834 0.768 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.230 -0.903 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.126 0.128 -2.260 1.00 0.00 H new ATOM 791 N LYS A 51 -8.874 0.815 -1.336 1.00 0.00 N ATOM 792 CA LYS A 51 -8.708 0.940 0.108 1.00 0.00 C ATOM 793 C LYS A 51 -8.481 2.413 0.464 1.00 0.00 C ATOM 794 O LYS A 51 -7.468 2.996 0.095 1.00 0.00 O ATOM 795 CB LYS A 51 -7.515 0.052 0.535 1.00 0.00 C ATOM 796 CG LYS A 51 -7.000 0.376 1.972 1.00 0.00 C ATOM 797 CD LYS A 51 -7.444 -0.704 2.973 1.00 0.00 C ATOM 798 CE LYS A 51 -8.955 -0.625 3.181 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.341 -1.463 4.352 1.00 0.00 N ATOM 0 H LYS A 51 -8.408 1.545 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.599 0.606 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.814 -0.995 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.699 0.182 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.912 0.446 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.380 1.348 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.170 -1.692 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.929 -0.566 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.256 0.409 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.474 -0.970 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.370 -1.409 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.067 -2.451 4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.856 -1.114 5.203 1.00 0.00 H new ATOM 813 N LYS A 52 -9.429 3.008 1.192 1.00 0.00 N ATOM 814 CA LYS A 52 -9.311 4.414 1.593 1.00 0.00 C ATOM 815 C LYS A 52 -8.715 4.502 2.996 1.00 0.00 C ATOM 816 O LYS A 52 -8.983 3.647 3.841 1.00 0.00 O ATOM 817 CB LYS A 52 -10.691 5.079 1.589 1.00 0.00 C ATOM 818 CG LYS A 52 -11.458 4.734 0.304 1.00 0.00 C ATOM 819 CD LYS A 52 -10.744 5.296 -0.932 1.00 0.00 C ATOM 820 CE LYS A 52 -11.590 5.005 -2.174 1.00 0.00 C ATOM 821 NZ LYS A 52 -10.891 5.520 -3.385 1.00 0.00 N ATOM 0 H LYS A 52 -10.279 2.545 1.514 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.660 4.928 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.261 4.750 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.579 6.160 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.553 3.652 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.468 5.139 0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.593 6.370 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.757 4.844 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.760 3.932 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.569 5.475 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.593 5.780 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.328 6.357 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.263 4.782 -3.763 1.00 0.00 H new ATOM 835 N VAL A 53 -7.892 5.528 3.244 1.00 0.00 N ATOM 836 CA VAL A 53 -7.259 5.690 4.553 1.00 0.00 C ATOM 837 C VAL A 53 -7.279 7.154 4.990 1.00 0.00 C ATOM 838 O VAL A 53 -7.411 8.062 4.170 1.00 0.00 O ATOM 839 CB VAL A 53 -5.808 5.167 4.510 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.371 4.686 5.898 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.698 4.017 3.508 1.00 0.00 C ATOM 0 H VAL A 53 -7.652 6.249 2.563 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.825 5.109 5.281 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.154 5.982 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.345 4.320 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.428 5.514 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.028 3.881 6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.671 3.653 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.363 3.207 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.982 4.370 2.517 1.00 0.00 H new ATOM 851 N GLN A 54 -7.141 7.363 6.291 1.00 0.00 N ATOM 852 CA GLN A 54 -7.133 8.707 6.857 1.00 0.00 C ATOM 853 C GLN A 54 -5.770 9.354 6.638 1.00 0.00 C ATOM 854 O GLN A 54 -4.740 8.682 6.682 1.00 0.00 O ATOM 855 CB GLN A 54 -7.451 8.641 8.355 1.00 0.00 C ATOM 856 CG GLN A 54 -7.680 10.050 8.899 1.00 0.00 C ATOM 857 CD GLN A 54 -8.979 10.621 8.338 1.00 0.00 C ATOM 858 OE1 GLN A 54 -10.048 10.044 8.540 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.950 11.725 7.644 1.00 0.00 N ATOM 0 H GLN A 54 -7.033 6.617 6.978 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.893 9.310 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.337 8.029 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.630 8.164 8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.724 10.026 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.843 10.694 8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.063 12.200 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.815 12.113 7.267 1.00 0.00 H new ATOM 868 N GLY A 55 -5.770 10.658 6.385 1.00 0.00 N ATOM 869 CA GLY A 55 -4.526 11.378 6.142 1.00 0.00 C ATOM 870 C GLY A 55 -3.571 11.268 7.328 1.00 0.00 C ATOM 871 O GLY A 55 -2.358 11.405 7.170 1.00 0.00 O ATOM 0 H GLY A 55 -6.611 11.234 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.044 10.981 5.248 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.745 12.428 5.947 1.00 0.00 H new ATOM 875 N ASN A 56 -4.121 11.036 8.520 1.00 0.00 N ATOM 876 CA ASN A 56 -3.302 10.932 9.731 1.00 0.00 C ATOM 877 C ASN A 56 -2.957 9.480 10.066 1.00 0.00 C ATOM 878 O ASN A 56 -2.099 9.225 10.911 1.00 0.00 O ATOM 879 CB ASN A 56 -4.052 11.554 10.911 1.00 0.00 C ATOM 880 CG ASN A 56 -4.149 13.065 10.726 1.00 0.00 C ATOM 881 OD1 ASN A 56 -5.139 13.562 10.189 1.00 0.00 O ATOM 882 ND2 ASN A 56 -3.178 13.828 11.146 1.00 0.00 N ATOM 0 H ASN A 56 -5.122 10.917 8.674 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.370 11.466 9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.050 11.123 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.535 11.325 11.843 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.238 14.840 11.030 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.359 13.413 11.591 1.00 0.00 H new ATOM 889 N LYS A 57 -3.619 8.528 9.411 1.00 0.00 N ATOM 890 CA LYS A 57 -3.344 7.116 9.679 1.00 0.00 C ATOM 891 C LYS A 57 -1.911 6.764 9.286 1.00 0.00 C ATOM 892 O LYS A 57 -1.206 6.090 10.037 1.00 0.00 O ATOM 893 CB LYS A 57 -4.358 6.227 8.922 1.00 0.00 C ATOM 894 CG LYS A 57 -5.384 5.642 9.914 1.00 0.00 C ATOM 895 CD LYS A 57 -6.502 4.915 9.168 1.00 0.00 C ATOM 896 CE LYS A 57 -7.489 4.330 10.180 1.00 0.00 C ATOM 897 NZ LYS A 57 -6.837 3.210 10.917 1.00 0.00 N ATOM 0 H LYS A 57 -4.335 8.701 8.705 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.453 6.933 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.870 6.813 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.835 5.421 8.408 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.886 4.952 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.806 6.442 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.016 5.605 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.085 4.121 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.810 5.102 10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.382 3.972 9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.565 2.622 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.289 2.629 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.201 3.596 11.644 1.00 0.00 H new ATOM 911 N ASP A 58 -1.498 7.221 8.111 1.00 0.00 N ATOM 912 CA ASP A 58 -0.156 6.969 7.612 1.00 0.00 C ATOM 913 C ASP A 58 0.233 5.498 7.747 1.00 0.00 C ATOM 914 O ASP A 58 1.379 5.185 8.065 1.00 0.00 O ATOM 915 CB ASP A 58 0.862 7.854 8.350 1.00 0.00 C ATOM 916 CG ASP A 58 0.898 7.519 9.836 1.00 0.00 C ATOM 917 OD1 ASP A 58 1.500 6.518 10.185 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.320 8.269 10.605 1.00 0.00 O ATOM 0 H ASP A 58 -2.081 7.773 7.482 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.149 7.218 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.853 7.714 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.601 8.904 8.216 1.00 0.00 H new ATOM 923 N HIS A 59 -0.721 4.596 7.501 1.00 0.00 N ATOM 924 CA HIS A 59 -0.442 3.158 7.599 1.00 0.00 C ATOM 925 C HIS A 59 -1.689 2.335 7.247 1.00 0.00 C ATOM 926 O HIS A 59 -2.817 2.795 7.421 1.00 0.00 O ATOM 927 CB HIS A 59 0.070 2.806 9.033 1.00 0.00 C ATOM 928 CG HIS A 59 -0.976 2.067 9.839 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.963 2.727 10.557 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.192 0.729 10.048 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.719 1.790 11.159 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.293 0.555 10.882 1.00 0.00 N ATOM 0 H HIS A 59 -1.678 4.829 7.237 1.00 0.00 H new ATOM 0 HA HIS A 59 0.338 2.906 6.881 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.969 2.195 8.958 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.350 3.722 9.554 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.598 -0.069 9.629 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.568 2.010 11.790 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.689 -0.326 11.211 1.00 0.00 H new ATOM 940 N ILE A 60 -1.471 1.106 6.779 1.00 0.00 N ATOM 941 CA ILE A 60 -2.580 0.214 6.436 1.00 0.00 C ATOM 942 C ILE A 60 -2.146 -1.248 6.524 1.00 0.00 C ATOM 943 O ILE A 60 -0.985 -1.584 6.295 1.00 0.00 O ATOM 944 CB ILE A 60 -3.104 0.508 5.009 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.967 1.097 4.168 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.278 1.489 5.043 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.434 1.286 2.725 1.00 0.00 C ATOM 0 H ILE A 60 -0.544 0.707 6.629 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.381 0.394 7.153 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.454 -0.425 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.651 2.053 4.586 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.101 0.435 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.625 1.677 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.091 1.063 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.955 2.427 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.621 1.705 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.728 0.323 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.286 1.965 2.704 1.00 0.00 H new ATOM 959 N ILE A 61 -3.111 -2.114 6.833 1.00 0.00 N ATOM 960 CA ILE A 61 -2.864 -3.551 6.923 1.00 0.00 C ATOM 961 C ILE A 61 -3.719 -4.269 5.883 1.00 0.00 C ATOM 962 O ILE A 61 -4.942 -4.336 6.016 1.00 0.00 O ATOM 963 CB ILE A 61 -3.232 -4.063 8.318 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.484 -3.254 9.389 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.868 -5.545 8.438 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.969 -3.289 9.146 1.00 0.00 C ATOM 0 H ILE A 61 -4.075 -1.843 7.026 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.807 -3.746 6.740 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.305 -3.944 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.834 -2.222 9.380 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.707 -3.658 10.377 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.132 -5.905 9.432 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.416 -6.116 7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.797 -5.671 8.279 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.463 -2.709 9.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.619 -4.321 9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.747 -2.862 8.168 1.00 0.00 H new ATOM 978 N LEU A 62 -3.078 -4.804 4.846 1.00 0.00 N ATOM 979 CA LEU A 62 -3.803 -5.514 3.791 1.00 0.00 C ATOM 980 C LEU A 62 -3.808 -7.006 4.086 1.00 0.00 C ATOM 981 O LEU A 62 -2.791 -7.674 3.947 1.00 0.00 O ATOM 982 CB LEU A 62 -3.119 -5.270 2.446 1.00 0.00 C ATOM 983 CG LEU A 62 -3.020 -3.768 2.167 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.208 -3.560 0.886 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.424 -3.166 1.994 1.00 0.00 C ATOM 0 H LEU A 62 -2.068 -4.761 4.713 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.829 -5.147 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.123 -5.713 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.681 -5.759 1.650 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.531 -3.272 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.129 -2.494 0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.210 -3.979 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.706 -4.059 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.340 -2.097 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.927 -3.651 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.002 -3.322 2.905 1.00 0.00 H new ATOM 997 N GLU A 63 -4.957 -7.517 4.510 1.00 0.00 N ATOM 998 CA GLU A 63 -5.086 -8.931 4.850 1.00 0.00 C ATOM 999 C GLU A 63 -5.374 -9.785 3.615 1.00 0.00 C ATOM 1000 O GLU A 63 -6.020 -9.334 2.671 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.224 -9.108 5.864 1.00 0.00 C ATOM 1002 CG GLU A 63 -6.071 -10.447 6.596 1.00 0.00 C ATOM 1003 CD GLU A 63 -4.972 -10.350 7.652 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -4.694 -9.247 8.092 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -4.435 -11.382 8.015 1.00 0.00 O ATOM 0 H GLU A 63 -5.813 -6.975 4.627 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.139 -9.262 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.213 -8.288 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.186 -9.071 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.015 -10.722 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.830 -11.234 5.882 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.897 -11.026 3.662 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.097 -11.996 2.581 1.00 0.00 C ATOM 1014 C HIS A 64 -4.129 -11.762 1.425 1.00 0.00 C ATOM 1015 O HIS A 64 -4.533 -11.344 0.340 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.544 -11.949 2.064 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.867 -13.230 1.341 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.973 -14.444 2.001 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.107 -13.502 0.016 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.266 -15.382 1.083 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.359 -14.863 -0.144 1.00 0.00 N ATOM 0 H HIS A 64 -4.360 -11.391 4.449 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.898 -12.983 2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.233 -11.806 2.896 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.673 -11.099 1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.101 -12.772 -0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.409 -16.428 1.310 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.569 -15.357 -1.011 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.852 -12.062 1.664 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.811 -11.916 0.640 1.00 0.00 C ATOM 1031 C LEU A 65 -1.065 -13.236 0.496 1.00 0.00 C ATOM 1032 O LEU A 65 0.005 -13.408 1.077 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.803 -10.843 1.056 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.520 -9.538 1.413 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.491 -8.526 1.924 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.219 -8.968 0.172 1.00 0.00 C ATOM 0 H LEU A 65 -2.510 -12.409 2.560 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.283 -11.631 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.225 -11.192 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.097 -10.666 0.245 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.265 -9.734 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.994 -7.594 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.005 -8.926 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.250 -8.337 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.727 -8.040 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.479 -8.770 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.949 -9.688 -0.198 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.634 -14.175 -0.259 1.00 0.00 N ATOM 1049 CA GLN A 66 -1.000 -15.483 -0.438 1.00 0.00 C ATOM 1050 C GLN A 66 0.519 -15.354 -0.551 1.00 0.00 C ATOM 1051 O GLN A 66 1.043 -14.409 -1.141 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.585 -16.193 -1.658 1.00 0.00 C ATOM 1053 CG GLN A 66 -0.756 -17.439 -2.002 1.00 0.00 C ATOM 1054 CD GLN A 66 -1.572 -18.389 -2.872 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.100 -19.384 -2.377 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -1.711 -18.140 -4.146 1.00 0.00 N ATOM 0 H GLN A 66 -2.520 -14.059 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.209 -16.087 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.618 -16.479 -1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.601 -15.513 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.154 -17.146 -2.525 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.449 -17.945 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.273 -17.315 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.258 -18.771 -4.732 1.00 0.00 H new ATOM 1065 N TRP A 67 1.203 -16.306 0.063 1.00 0.00 N ATOM 1066 CA TRP A 67 2.666 -16.323 0.098 1.00 0.00 C ATOM 1067 C TRP A 67 3.289 -16.605 -1.272 1.00 0.00 C ATOM 1068 O TRP A 67 4.412 -16.179 -1.543 1.00 0.00 O ATOM 1069 CB TRP A 67 3.142 -17.396 1.081 1.00 0.00 C ATOM 1070 CG TRP A 67 2.595 -17.133 2.451 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.486 -17.719 2.950 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.105 -16.258 3.507 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.281 -17.271 4.242 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.250 -16.367 4.629 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.209 -15.391 3.605 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.480 -15.646 5.803 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.442 -14.663 4.785 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.579 -14.791 5.881 1.00 0.00 C ATOM 0 H TRP A 67 0.767 -17.088 0.551 1.00 0.00 H new ATOM 0 HA TRP A 67 2.987 -15.330 0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.822 -18.380 0.738 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.231 -17.409 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.859 -18.424 2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.508 -17.572 4.836 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.882 -15.284 2.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.811 -15.750 6.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.293 -14.000 4.847 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.764 -14.229 6.784 1.00 0.00 H new ATOM 1089 N THR A 68 2.584 -17.357 -2.116 1.00 0.00 N ATOM 1090 CA THR A 68 3.112 -17.730 -3.436 1.00 0.00 C ATOM 1091 C THR A 68 2.598 -16.809 -4.535 1.00 0.00 C ATOM 1092 O THR A 68 2.586 -17.178 -5.709 1.00 0.00 O ATOM 1093 CB THR A 68 2.717 -19.174 -3.754 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.373 -19.204 -4.215 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.844 -20.027 -2.490 1.00 0.00 C ATOM 0 H THR A 68 1.652 -17.720 -1.915 1.00 0.00 H new ATOM 0 HA THR A 68 4.197 -17.633 -3.401 1.00 0.00 H new ATOM 0 HB THR A 68 3.375 -19.571 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.118 -20.128 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.563 -21.056 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.875 -20.002 -2.136 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.185 -19.632 -1.717 1.00 0.00 H new ATOM 1103 N MET A 69 2.173 -15.613 -4.154 1.00 0.00 N ATOM 1104 CA MET A 69 1.660 -14.648 -5.120 1.00 0.00 C ATOM 1105 C MET A 69 1.976 -13.229 -4.670 1.00 0.00 C ATOM 1106 O MET A 69 1.682 -12.846 -3.538 1.00 0.00 O ATOM 1107 CB MET A 69 0.141 -14.821 -5.257 1.00 0.00 C ATOM 1108 CG MET A 69 -0.197 -15.876 -6.322 1.00 0.00 C ATOM 1109 SD MET A 69 -1.975 -15.833 -6.662 1.00 0.00 S ATOM 1110 CE MET A 69 -2.038 -14.166 -7.377 1.00 0.00 C ATOM 0 H MET A 69 2.172 -15.287 -3.187 1.00 0.00 H new ATOM 0 HA MET A 69 2.137 -14.823 -6.084 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.283 -15.118 -4.298 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.315 -13.868 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.365 -15.680 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 69 0.095 -16.867 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.796 -14.134 -8.160 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.290 -13.446 -6.599 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.066 -13.916 -7.802 1.00 0.00 H new ATOM 1120 N GLY A 70 2.567 -12.452 -5.567 1.00 0.00 N ATOM 1121 CA GLY A 70 2.907 -11.079 -5.255 1.00 0.00 C ATOM 1122 C GLY A 70 1.698 -10.170 -5.387 1.00 0.00 C ATOM 1123 O GLY A 70 0.668 -10.561 -5.939 1.00 0.00 O ATOM 0 H GLY A 70 2.818 -12.750 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.300 -11.021 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.697 -10.737 -5.923 1.00 0.00 H new ATOM 1127 N TYR A 71 1.833 -8.950 -4.877 1.00 0.00 N ATOM 1128 CA TYR A 71 0.752 -7.971 -4.938 1.00 0.00 C ATOM 1129 C TYR A 71 1.309 -6.565 -5.141 1.00 0.00 C ATOM 1130 O TYR A 71 2.231 -6.150 -4.439 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.061 -8.003 -3.643 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.758 -9.336 -3.502 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -0.106 -10.407 -2.878 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -2.059 -9.499 -3.992 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -0.756 -11.640 -2.746 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -2.708 -10.732 -3.859 1.00 0.00 C ATOM 1137 CZ TYR A 71 -2.057 -11.802 -3.236 1.00 0.00 C ATOM 1138 OH TYR A 71 -2.697 -13.018 -3.105 1.00 0.00 O ATOM 0 H TYR A 71 2.680 -8.615 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 71 0.111 -8.228 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.594 -7.834 -2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.796 -7.198 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.898 -10.282 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.562 -8.673 -4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.253 -12.467 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.712 -10.857 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.593 -12.960 -3.497 1.00 0.00 H new ATOM 1148 N GLU A 72 0.729 -5.825 -6.084 1.00 0.00 N ATOM 1149 CA GLU A 72 1.167 -4.453 -6.343 1.00 0.00 C ATOM 1150 C GLU A 72 0.327 -3.498 -5.502 1.00 0.00 C ATOM 1151 O GLU A 72 -0.828 -3.791 -5.204 1.00 0.00 O ATOM 1152 CB GLU A 72 1.000 -4.101 -7.834 1.00 0.00 C ATOM 1153 CG GLU A 72 1.218 -5.348 -8.687 1.00 0.00 C ATOM 1154 CD GLU A 72 1.318 -4.962 -10.160 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.163 -3.789 -10.457 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.551 -5.846 -10.967 1.00 0.00 O ATOM 0 H GLU A 72 -0.037 -6.147 -6.676 1.00 0.00 H new ATOM 0 HA GLU A 72 2.221 -4.362 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.004 -3.697 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.713 -3.327 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.129 -5.858 -8.374 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.395 -6.047 -8.541 1.00 0.00 H new ATOM 1163 N VAL A 73 0.899 -2.357 -5.125 1.00 0.00 N ATOM 1164 CA VAL A 73 0.171 -1.368 -4.327 1.00 0.00 C ATOM 1165 C VAL A 73 0.344 0.016 -4.932 1.00 0.00 C ATOM 1166 O VAL A 73 1.452 0.426 -5.256 1.00 0.00 O ATOM 1167 CB VAL A 73 0.683 -1.353 -2.878 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.414 -0.816 -1.945 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.070 -2.776 -2.466 1.00 0.00 C ATOM 0 H VAL A 73 1.857 -2.094 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.884 -1.642 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 73 1.556 -0.705 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.047 -0.807 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.681 0.198 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.293 -1.457 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.434 -2.771 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.198 -3.426 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.854 -3.146 -3.127 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.760 0.735 -5.070 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.733 2.084 -5.622 1.00 0.00 C ATOM 1181 C GLN A 74 -1.340 3.048 -4.619 1.00 0.00 C ATOM 1182 O GLN A 74 -2.543 3.027 -4.359 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.501 2.111 -6.937 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.582 3.544 -7.472 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.217 3.548 -8.858 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.562 2.492 -9.388 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.397 4.681 -9.479 1.00 0.00 N ATOM 0 H GLN A 74 -1.689 0.407 -4.807 1.00 0.00 H new ATOM 0 HA GLN A 74 0.295 2.388 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.008 1.469 -7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.505 1.713 -6.789 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.169 4.162 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.584 3.980 -7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.111 5.555 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.824 4.693 -10.405 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.481 3.881 -4.048 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.893 4.858 -3.046 1.00 0.00 C ATOM 1198 C ILE A 75 -1.076 6.225 -3.691 1.00 0.00 C ATOM 1199 O ILE A 75 -0.206 6.707 -4.406 1.00 0.00 O ATOM 1200 CB ILE A 75 0.192 4.900 -1.937 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.148 3.909 -0.814 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.372 6.309 -1.351 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.090 2.483 -1.306 1.00 0.00 C ATOM 0 H ILE A 75 0.516 3.900 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.849 4.575 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 75 1.134 4.613 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.468 4.110 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.187 4.031 -0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.142 6.287 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.671 6.997 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.569 6.645 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.151 1.778 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.545 2.285 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.136 2.366 -1.590 1.00 0.00 H new ATOM 1215 N THR A 76 -2.210 6.858 -3.409 1.00 0.00 N ATOM 1216 CA THR A 76 -2.486 8.184 -3.943 1.00 0.00 C ATOM 1217 C THR A 76 -3.031 9.060 -2.830 1.00 0.00 C ATOM 1218 O THR A 76 -4.058 8.756 -2.228 1.00 0.00 O ATOM 1219 CB THR A 76 -3.480 8.097 -5.101 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.086 7.056 -5.981 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.496 9.419 -5.861 1.00 0.00 C ATOM 0 H THR A 76 -2.948 6.476 -2.817 1.00 0.00 H new ATOM 0 HA THR A 76 -1.565 8.623 -4.328 1.00 0.00 H new ATOM 0 HB THR A 76 -4.476 7.891 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.723 6.997 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.205 9.356 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.794 10.222 -5.187 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.500 9.625 -6.253 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.326 10.146 -2.558 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.725 11.070 -1.508 1.00 0.00 C ATOM 1231 C ALA A 77 -3.646 12.132 -2.107 1.00 0.00 C ATOM 1232 O ALA A 77 -3.298 12.759 -3.106 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.454 11.697 -0.908 1.00 0.00 C ATOM 0 H ALA A 77 -1.473 10.410 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.270 10.558 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.731 12.394 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.821 10.912 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.908 12.230 -1.687 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.835 12.308 -1.526 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.803 13.274 -2.061 1.00 0.00 C ATOM 1241 C ALA A 78 -5.870 14.553 -1.236 1.00 0.00 C ATOM 1242 O ALA A 78 -6.385 14.567 -0.118 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.191 12.633 -2.113 1.00 0.00 C ATOM 0 H ALA A 78 -5.150 11.804 -0.697 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.468 13.546 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.909 13.351 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.162 11.754 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.493 12.336 -1.108 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.372 15.638 -1.826 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.388 16.952 -1.186 1.00 0.00 C ATOM 1251 C ASN A 79 -6.266 17.889 -2.003 1.00 0.00 C ATOM 1252 O ASN A 79 -6.940 17.461 -2.939 1.00 0.00 O ATOM 1253 CB ASN A 79 -3.956 17.515 -1.106 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.129 17.005 -2.282 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.003 15.719 -2.467 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -2.585 17.796 -3.052 1.00 0.00 N flip ATOM 0 H ASN A 79 -4.949 15.632 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.786 16.862 -0.175 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.984 18.605 -1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.491 17.216 -0.167 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.685 18.801 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.034 17.447 -3.837 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.247 19.166 -1.654 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.041 20.155 -2.378 1.00 0.00 C ATOM 1265 C ARG A 80 -6.959 19.899 -3.884 1.00 0.00 C ATOM 1266 O ARG A 80 -7.931 20.094 -4.613 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.540 21.569 -2.061 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.441 22.602 -2.746 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.928 24.011 -2.443 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.118 24.333 -1.034 1.00 0.00 N ATOM 1271 CZ ARG A 80 -6.763 25.517 -0.547 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.219 26.406 -1.332 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -6.957 25.790 0.714 1.00 0.00 N ATOM 0 H ARG A 80 -5.697 19.543 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.080 20.068 -2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.538 21.731 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.512 21.686 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.453 22.432 -3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.467 22.494 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.871 24.082 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.455 24.737 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.530 23.638 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.067 26.191 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.946 27.316 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.382 25.094 1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.684 26.699 1.087 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.791 19.446 -4.340 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.594 19.150 -5.756 1.00 0.00 C ATOM 1289 C LEU A 81 -6.510 18.003 -6.169 1.00 0.00 C ATOM 1290 O LEU A 81 -7.088 18.007 -7.256 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.130 18.744 -6.023 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.204 19.976 -6.071 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.620 20.933 -7.207 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.250 20.703 -4.716 1.00 0.00 C ATOM 0 H LEU A 81 -4.974 19.278 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.829 20.044 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.792 18.063 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.067 18.203 -6.967 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.185 19.643 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.952 21.794 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.559 20.412 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.643 21.270 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.596 21.574 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.271 21.023 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.916 20.027 -3.929 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.617 17.017 -5.284 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.440 15.831 -5.525 1.00 0.00 C ATOM 1308 C GLY A 82 -6.570 14.586 -5.465 1.00 0.00 C ATOM 1309 O GLY A 82 -6.955 13.571 -4.887 1.00 0.00 O ATOM 0 H GLY A 82 -6.139 17.015 -4.383 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.233 15.769 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.923 15.903 -6.500 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.386 14.688 -6.057 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.429 13.588 -6.059 1.00 0.00 C ATOM 1315 C TYR A 83 -3.025 14.155 -6.250 1.00 0.00 C ATOM 1316 O TYR A 83 -2.821 15.029 -7.092 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.751 12.597 -7.179 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.247 12.420 -7.288 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.989 13.269 -8.117 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.890 11.415 -6.558 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.376 13.112 -8.218 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.279 11.259 -6.659 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.021 12.108 -7.488 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.390 11.954 -7.586 1.00 0.00 O ATOM 0 H TYR A 83 -5.065 15.525 -6.544 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.488 13.057 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.348 12.959 -8.125 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.275 11.637 -6.976 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.491 14.045 -8.679 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.317 10.761 -5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.948 13.766 -8.859 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.777 10.483 -6.097 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.677 11.211 -7.016 1.00 0.00 H new ATOM 1334 N SER A 84 -2.057 13.677 -5.474 1.00 0.00 N ATOM 1335 CA SER A 84 -0.696 14.191 -5.606 1.00 0.00 C ATOM 1336 C SER A 84 0.324 13.264 -4.957 1.00 0.00 C ATOM 1337 O SER A 84 0.006 12.501 -4.047 1.00 0.00 O ATOM 1338 CB SER A 84 -0.604 15.571 -4.958 1.00 0.00 C ATOM 1339 OG SER A 84 0.698 16.101 -5.165 1.00 0.00 O ATOM 0 H SER A 84 -2.182 12.954 -4.765 1.00 0.00 H new ATOM 0 HA SER A 84 -0.468 14.255 -6.670 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.353 16.237 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.815 15.499 -3.891 1.00 0.00 H new ATOM 0 HG SER A 84 0.650 17.079 -5.208 1.00 0.00 H new ATOM 1345 N GLU A 85 1.561 13.362 -5.433 1.00 0.00 N ATOM 1346 CA GLU A 85 2.653 12.559 -4.904 1.00 0.00 C ATOM 1347 C GLU A 85 2.232 11.099 -4.726 1.00 0.00 C ATOM 1348 O GLU A 85 2.343 10.541 -3.636 1.00 0.00 O ATOM 1349 CB GLU A 85 3.126 13.148 -3.559 1.00 0.00 C ATOM 1350 CG GLU A 85 4.620 12.864 -3.354 1.00 0.00 C ATOM 1351 CD GLU A 85 5.074 13.379 -1.993 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.515 14.361 -1.534 1.00 0.00 O ATOM 1353 OE2 GLU A 85 5.976 12.782 -1.429 1.00 0.00 O ATOM 0 H GLU A 85 1.831 13.993 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 85 3.476 12.583 -5.619 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.947 14.223 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.550 12.715 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.807 11.793 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.200 13.342 -4.143 1.00 0.00 H new ATOM 1360 N PRO A 86 1.769 10.472 -5.778 1.00 0.00 N ATOM 1361 CA PRO A 86 1.344 9.042 -5.743 1.00 0.00 C ATOM 1362 C PRO A 86 2.549 8.113 -5.635 1.00 0.00 C ATOM 1363 O PRO A 86 3.644 8.466 -6.073 1.00 0.00 O ATOM 1364 CB PRO A 86 0.635 8.844 -7.089 1.00 0.00 C ATOM 1365 CG PRO A 86 1.273 9.844 -7.999 1.00 0.00 C ATOM 1366 CD PRO A 86 1.608 11.055 -7.122 1.00 0.00 C ATOM 0 HA PRO A 86 0.711 8.814 -4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.767 7.828 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.438 9.015 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.172 9.435 -8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.598 10.122 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.519 11.553 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.812 11.799 -7.144 1.00 0.00 H new ATOM 1374 N THR A 87 2.341 6.912 -5.091 1.00 0.00 N ATOM 1375 CA THR A 87 3.418 5.939 -4.985 1.00 0.00 C ATOM 1376 C THR A 87 2.986 4.594 -5.514 1.00 0.00 C ATOM 1377 O THR A 87 2.053 3.971 -5.008 1.00 0.00 O ATOM 1378 CB THR A 87 3.890 5.748 -3.553 1.00 0.00 C ATOM 1379 OG1 THR A 87 4.233 7.003 -2.982 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.109 4.821 -3.542 1.00 0.00 C ATOM 0 H THR A 87 1.444 6.597 -4.722 1.00 0.00 H new ATOM 0 HA THR A 87 4.239 6.339 -5.580 1.00 0.00 H new ATOM 0 HB THR A 87 3.088 5.302 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.534 6.871 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.451 4.681 -2.516 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.836 3.856 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.909 5.265 -4.134 1.00 0.00 H new ATOM 1388 N VAL A 88 3.713 4.135 -6.506 1.00 0.00 N ATOM 1389 CA VAL A 88 3.474 2.827 -7.102 1.00 0.00 C ATOM 1390 C VAL A 88 4.473 1.856 -6.492 1.00 0.00 C ATOM 1391 O VAL A 88 5.616 1.756 -6.941 1.00 0.00 O ATOM 1392 CB VAL A 88 3.647 2.896 -8.628 1.00 0.00 C ATOM 1393 CG1 VAL A 88 2.359 3.422 -9.271 1.00 0.00 C ATOM 1394 CG2 VAL A 88 4.798 3.845 -8.973 1.00 0.00 C ATOM 0 H VAL A 88 4.486 4.651 -6.927 1.00 0.00 H new ATOM 0 HA VAL A 88 2.455 2.495 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 88 3.866 1.897 -9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.485 3.470 -10.353 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.533 2.752 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.141 4.419 -8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.919 3.892 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.576 4.841 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.720 3.479 -8.521 1.00 0.00 H new ATOM 1404 N TYR A 89 4.045 1.161 -5.441 1.00 0.00 N ATOM 1405 CA TYR A 89 4.923 0.216 -4.743 1.00 0.00 C ATOM 1406 C TYR A 89 4.637 -1.214 -5.186 1.00 0.00 C ATOM 1407 O TYR A 89 3.502 -1.674 -5.126 1.00 0.00 O ATOM 1408 CB TYR A 89 4.728 0.351 -3.229 1.00 0.00 C ATOM 1409 CG TYR A 89 5.604 -0.645 -2.487 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.994 -0.666 -2.695 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.026 -1.547 -1.580 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.792 -1.583 -2.003 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.829 -2.462 -0.890 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.210 -2.481 -1.103 1.00 0.00 C ATOM 1415 OH TYR A 89 8.002 -3.386 -0.425 1.00 0.00 O ATOM 0 H TYR A 89 3.104 1.231 -5.054 1.00 0.00 H new ATOM 0 HA TYR A 89 5.958 0.449 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.974 1.365 -2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.681 0.183 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.446 0.026 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.959 -1.535 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.860 -1.597 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.381 -3.154 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 89 7.661 -4.293 -0.571 1.00 0.00 H new ATOM 1425 N GLU A 90 5.677 -1.914 -5.642 1.00 0.00 N ATOM 1426 CA GLU A 90 5.533 -3.296 -6.107 1.00 0.00 C ATOM 1427 C GLU A 90 6.530 -4.210 -5.401 1.00 0.00 C ATOM 1428 O GLU A 90 7.723 -3.918 -5.338 1.00 0.00 O ATOM 1429 CB GLU A 90 5.758 -3.357 -7.621 1.00 0.00 C ATOM 1430 CG GLU A 90 6.957 -2.485 -7.996 1.00 0.00 C ATOM 1431 CD GLU A 90 7.328 -2.711 -9.458 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.428 -2.724 -10.282 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.505 -2.875 -9.731 1.00 0.00 O ATOM 0 H GLU A 90 6.627 -1.548 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 90 4.525 -3.637 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.933 -4.387 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.867 -3.013 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.719 -1.434 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.806 -2.724 -7.355 1.00 0.00 H new ATOM 1440 N PHE A 91 6.023 -5.319 -4.875 1.00 0.00 N ATOM 1441 CA PHE A 91 6.873 -6.280 -4.176 1.00 0.00 C ATOM 1442 C PHE A 91 6.158 -7.617 -4.024 1.00 0.00 C ATOM 1443 O PHE A 91 4.990 -7.667 -3.641 1.00 0.00 O ATOM 1444 CB PHE A 91 7.256 -5.731 -2.795 1.00 0.00 C ATOM 1445 CG PHE A 91 6.074 -5.834 -1.851 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.979 -4.974 -2.003 1.00 0.00 C ATOM 1447 CD2 PHE A 91 6.077 -6.790 -0.829 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.887 -5.073 -1.132 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.984 -6.888 0.041 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.889 -6.031 -0.111 1.00 0.00 C ATOM 0 H PHE A 91 5.037 -5.575 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 91 7.777 -6.436 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.102 -6.289 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.573 -4.692 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.977 -4.235 -2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.922 -7.452 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.043 -4.410 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.987 -7.626 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.045 -6.108 0.559 1.00 0.00 H new ATOM 1460 N SER A 92 6.869 -8.701 -4.320 1.00 0.00 N ATOM 1461 CA SER A 92 6.286 -10.029 -4.203 1.00 0.00 C ATOM 1462 C SER A 92 6.307 -10.505 -2.755 1.00 0.00 C ATOM 1463 O SER A 92 7.001 -9.935 -1.913 1.00 0.00 O ATOM 1464 CB SER A 92 7.033 -11.018 -5.095 1.00 0.00 C ATOM 1465 OG SER A 92 8.433 -10.854 -4.917 1.00 0.00 O ATOM 0 H SER A 92 7.838 -8.685 -4.639 1.00 0.00 H new ATOM 0 HA SER A 92 5.248 -9.975 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.742 -12.039 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.767 -10.855 -6.139 1.00 0.00 H new ATOM 0 HG SER A 92 8.912 -11.490 -5.488 1.00 0.00 H new ATOM 1471 N MET A 93 5.525 -11.547 -2.469 1.00 0.00 N ATOM 1472 CA MET A 93 5.441 -12.089 -1.115 1.00 0.00 C ATOM 1473 C MET A 93 6.411 -13.263 -0.934 1.00 0.00 C ATOM 1474 O MET A 93 6.632 -14.034 -1.868 1.00 0.00 O ATOM 1475 CB MET A 93 4.014 -12.573 -0.853 1.00 0.00 C ATOM 1476 CG MET A 93 3.066 -11.373 -0.828 1.00 0.00 C ATOM 1477 SD MET A 93 3.317 -10.430 0.700 1.00 0.00 S ATOM 1478 CE MET A 93 2.697 -11.669 1.870 1.00 0.00 C ATOM 0 H MET A 93 4.944 -12.030 -3.154 1.00 0.00 H new ATOM 0 HA MET A 93 5.710 -11.303 -0.410 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.709 -13.275 -1.628 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.968 -13.106 0.096 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.247 -10.736 -1.694 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.032 -11.712 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.972 -11.206 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.218 -12.480 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.528 -12.067 2.453 1.00 0.00 H new ATOM 1488 N PRO A 94 6.981 -13.429 0.240 1.00 0.00 N ATOM 1489 CA PRO A 94 7.924 -14.556 0.519 1.00 0.00 C ATOM 1490 C PRO A 94 7.171 -15.882 0.638 1.00 0.00 C ATOM 1491 O PRO A 94 5.959 -15.890 0.817 1.00 0.00 O ATOM 1492 CB PRO A 94 8.563 -14.158 1.859 1.00 0.00 C ATOM 1493 CG PRO A 94 7.526 -13.327 2.539 1.00 0.00 C ATOM 1494 CD PRO A 94 6.796 -12.573 1.430 1.00 0.00 C ATOM 0 HA PRO A 94 8.658 -14.707 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.819 -15.036 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.484 -13.596 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.836 -13.952 3.106 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.983 -12.635 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.740 -12.439 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.218 -11.579 1.277 1.00 0.00 H new ATOM 1502 N PRO A 95 7.858 -16.991 0.552 1.00 0.00 N ATOM 1503 CA PRO A 95 7.222 -18.342 0.672 1.00 0.00 C ATOM 1504 C PRO A 95 6.666 -18.584 2.076 1.00 0.00 C ATOM 1505 O PRO A 95 7.119 -17.978 3.049 1.00 0.00 O ATOM 1506 CB PRO A 95 8.373 -19.308 0.342 1.00 0.00 C ATOM 1507 CG PRO A 95 9.611 -18.545 0.685 1.00 0.00 C ATOM 1508 CD PRO A 95 9.309 -17.094 0.325 1.00 0.00 C ATOM 0 HA PRO A 95 6.364 -18.465 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.299 -20.227 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.362 -19.594 -0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.853 -18.645 1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.469 -18.918 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.866 -16.398 0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.572 -16.872 -0.709 1.00 0.00 H new ATOM 1516 N LYS A 96 5.671 -19.463 2.170 1.00 0.00 N ATOM 1517 CA LYS A 96 5.045 -19.772 3.454 1.00 0.00 C ATOM 1518 C LYS A 96 6.100 -19.865 4.567 1.00 0.00 C ATOM 1519 O LYS A 96 7.112 -20.545 4.398 1.00 0.00 O ATOM 1520 CB LYS A 96 4.296 -21.112 3.353 1.00 0.00 C ATOM 1521 CG LYS A 96 3.590 -21.467 4.687 1.00 0.00 C ATOM 1522 CD LYS A 96 2.212 -20.781 4.769 1.00 0.00 C ATOM 1523 CE LYS A 96 1.145 -21.647 4.087 1.00 0.00 C ATOM 1524 NZ LYS A 96 0.856 -22.837 4.935 1.00 0.00 N ATOM 0 H LYS A 96 5.282 -19.972 1.376 1.00 0.00 H new ATOM 0 HA LYS A 96 4.347 -18.971 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.559 -21.059 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.997 -21.904 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.470 -22.548 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.209 -21.154 5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.943 -20.614 5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.256 -19.803 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.235 -21.067 3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.492 -21.963 3.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.097 -23.194 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.557 -23.580 4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.906 -22.569 5.939 1.00 0.00 H new ATOM 1538 N PRO A 97 5.884 -19.235 5.705 1.00 0.00 N ATOM 1539 CA PRO A 97 6.849 -19.309 6.840 1.00 0.00 C ATOM 1540 C PRO A 97 6.797 -20.665 7.537 1.00 0.00 C ATOM 1541 O PRO A 97 5.775 -21.350 7.505 1.00 0.00 O ATOM 1542 CB PRO A 97 6.386 -18.193 7.780 1.00 0.00 C ATOM 1543 CG PRO A 97 4.921 -18.063 7.528 1.00 0.00 C ATOM 1544 CD PRO A 97 4.719 -18.384 6.046 1.00 0.00 C ATOM 0 HA PRO A 97 7.883 -19.193 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.587 -18.445 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.907 -17.259 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.354 -18.750 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.573 -17.057 7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.778 -18.907 5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.695 -17.478 5.440 1.00 0.00 H new