USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 670 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 25 GLN : amide:sc= -0.246 X(o=-2.2,f=-2.4) USER MOD Set 1.2: A 37 MET CE :methyl -161:sc= -1.97! (180deg=-2.53!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= 0.557 (180deg=-0.000113) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.365 K(o=-0.36,f=-3.4!) USER MOD Single : A 24 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 45 MET CE :methyl -150:sc= -0.0388 (180deg=-0.734) USER MOD Single : A 46 ASN : amide:sc= -2.66 K(o=-2.7,f=-3.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0157 USER MOD Single : A 50 ASN : amide:sc= -0.519 K(o=-0.52,f=0.52) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 134:sc= -1.01! USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.48) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.94 K(o=-1.9,f=-8.8!) USER MOD Single : A 72 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.18) USER MOD Single : A 75 ASN : amide:sc= -0.601 X(o=-0.6,f=-0.46) USER MOD Single : A 76 THR OG1 : rot 77:sc= 0.245 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -62:sc= -0.584 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -101:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -5.286 19.921 -6.295 1.00 0.00 N ATOM 64 CA ALA A 6 -4.026 19.769 -5.572 1.00 0.00 C ATOM 65 C ALA A 6 -4.128 18.666 -4.518 1.00 0.00 C ATOM 66 O ALA A 6 -3.224 17.840 -4.376 1.00 0.00 O ATOM 67 CB ALA A 6 -3.620 21.086 -4.928 1.00 0.00 C ATOM 0 HA ALA A 6 -3.257 19.481 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.679 20.955 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.496 21.845 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.394 21.403 -4.228 1.00 0.00 H new ATOM 73 N ASN A 7 -5.241 18.646 -3.794 1.00 0.00 N ATOM 74 CA ASN A 7 -5.459 17.632 -2.772 1.00 0.00 C ATOM 75 C ASN A 7 -5.559 16.253 -3.416 1.00 0.00 C ATOM 76 O ASN A 7 -4.832 15.327 -3.051 1.00 0.00 O ATOM 77 CB ASN A 7 -6.731 17.939 -1.981 1.00 0.00 C ATOM 78 CG ASN A 7 -6.541 19.082 -1.003 1.00 0.00 C ATOM 79 OD1 ASN A 7 -5.596 19.089 -0.214 1.00 0.00 O ATOM 80 ND2 ASN A 7 -7.441 20.057 -1.051 1.00 0.00 N ATOM 0 H ASN A 7 -6.002 19.317 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.613 17.640 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.535 18.187 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.042 17.047 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.365 20.853 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.208 20.010 -1.721 1.00 0.00 H new ATOM 87 N LYS A 8 -6.458 16.132 -4.387 1.00 0.00 N ATOM 88 CA LYS A 8 -6.652 14.875 -5.096 1.00 0.00 C ATOM 89 C LYS A 8 -5.352 14.421 -5.753 1.00 0.00 C ATOM 90 O LYS A 8 -5.105 13.224 -5.894 1.00 0.00 O ATOM 91 CB LYS A 8 -7.746 15.025 -6.154 1.00 0.00 C ATOM 92 CG LYS A 8 -9.136 15.221 -5.571 1.00 0.00 C ATOM 93 CD LYS A 8 -9.943 16.231 -6.375 1.00 0.00 C ATOM 94 CE LYS A 8 -10.465 17.354 -5.495 1.00 0.00 C ATOM 95 NZ LYS A 8 -11.563 16.894 -4.601 1.00 0.00 N ATOM 0 H LYS A 8 -7.064 16.891 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.959 14.120 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.507 15.875 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.749 14.139 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.662 14.266 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.054 15.559 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -9.321 16.647 -7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.780 15.727 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.649 17.752 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.825 18.169 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.450 17.367 -4.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.678 15.865 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.329 17.129 -3.615 1.00 0.00 H new ATOM 109 N ASP A 9 -4.522 15.385 -6.148 1.00 0.00 N ATOM 110 CA ASP A 9 -3.249 15.072 -6.782 1.00 0.00 C ATOM 111 C ASP A 9 -2.300 14.455 -5.765 1.00 0.00 C ATOM 112 O ASP A 9 -1.560 13.528 -6.080 1.00 0.00 O ATOM 113 CB ASP A 9 -2.641 16.329 -7.432 1.00 0.00 C ATOM 114 CG ASP A 9 -1.463 16.907 -6.662 1.00 0.00 C ATOM 115 OD1 ASP A 9 -0.424 16.220 -6.560 1.00 0.00 O ATOM 116 OD2 ASP A 9 -1.579 18.048 -6.170 1.00 0.00 O ATOM 0 H ASP A 9 -4.709 16.382 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.417 14.344 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.317 16.084 -8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.415 17.092 -7.521 1.00 0.00 H new ATOM 121 N LEU A 10 -2.338 14.965 -4.537 1.00 0.00 N ATOM 122 CA LEU A 10 -1.489 14.436 -3.478 1.00 0.00 C ATOM 123 C LEU A 10 -1.856 12.983 -3.200 1.00 0.00 C ATOM 124 O LEU A 10 -0.987 12.106 -3.127 1.00 0.00 O ATOM 125 CB LEU A 10 -1.644 15.265 -2.197 1.00 0.00 C ATOM 126 CG LEU A 10 -0.450 15.245 -1.229 1.00 0.00 C ATOM 127 CD1 LEU A 10 0.416 14.011 -1.436 1.00 0.00 C ATOM 128 CD2 LEU A 10 0.381 16.509 -1.383 1.00 0.00 C ATOM 0 H LEU A 10 -2.942 15.737 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.451 14.492 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.839 16.300 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.525 14.909 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.847 15.206 -0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.250 14.030 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.181 13.115 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.800 14.003 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.222 16.478 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.755 16.577 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.237 17.380 -1.165 1.00 0.00 H new ATOM 140 N ILE A 11 -3.157 12.724 -3.073 1.00 0.00 N ATOM 141 CA ILE A 11 -3.627 11.370 -2.828 1.00 0.00 C ATOM 142 C ILE A 11 -3.249 10.474 -4.001 1.00 0.00 C ATOM 143 O ILE A 11 -2.610 9.438 -3.816 1.00 0.00 O ATOM 144 CB ILE A 11 -5.158 11.330 -2.604 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.512 11.932 -1.241 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.686 9.903 -2.700 1.00 0.00 C ATOM 147 CD1 ILE A 11 -5.501 13.445 -1.220 1.00 0.00 C ATOM 0 H ILE A 11 -3.893 13.428 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.148 11.006 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.630 11.923 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.501 11.581 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.807 11.562 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.764 9.902 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.467 9.500 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.205 9.285 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.761 13.797 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.507 13.805 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.227 13.824 -1.939 1.00 0.00 H new ATOM 159 N SER A 12 -3.634 10.877 -5.212 1.00 0.00 N ATOM 160 CA SER A 12 -3.314 10.103 -6.403 1.00 0.00 C ATOM 161 C SER A 12 -1.809 9.918 -6.526 1.00 0.00 C ATOM 162 O SER A 12 -1.338 8.903 -7.021 1.00 0.00 O ATOM 163 CB SER A 12 -3.860 10.796 -7.653 1.00 0.00 C ATOM 164 OG SER A 12 -4.092 9.864 -8.694 1.00 0.00 O ATOM 0 H SER A 12 -4.164 11.730 -5.390 1.00 0.00 H new ATOM 0 HA SER A 12 -3.783 9.123 -6.312 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.789 11.312 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.153 11.554 -7.990 1.00 0.00 H new ATOM 0 HG SER A 12 -4.442 10.332 -9.480 1.00 0.00 H new ATOM 170 N ALA A 13 -1.060 10.918 -6.081 1.00 0.00 N ATOM 171 CA ALA A 13 0.393 10.859 -6.151 1.00 0.00 C ATOM 172 C ALA A 13 0.926 9.737 -5.276 1.00 0.00 C ATOM 173 O ALA A 13 1.852 9.024 -5.664 1.00 0.00 O ATOM 174 CB ALA A 13 1.011 12.195 -5.765 1.00 0.00 C ATOM 0 H ALA A 13 -1.432 11.774 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 13 0.676 10.648 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.097 12.125 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.659 12.969 -6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.720 12.450 -4.746 1.00 0.00 H new ATOM 180 N GLY A 14 0.298 9.537 -4.125 1.00 0.00 N ATOM 181 CA GLY A 14 0.701 8.440 -3.267 1.00 0.00 C ATOM 182 C GLY A 14 0.245 7.137 -3.885 1.00 0.00 C ATOM 183 O GLY A 14 0.973 6.144 -3.917 1.00 0.00 O ATOM 0 H GLY A 14 -0.472 10.106 -3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.784 8.438 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.265 8.559 -2.275 1.00 0.00 H new ATOM 187 N LEU A 15 -0.980 7.178 -4.389 1.00 0.00 N ATOM 188 CA LEU A 15 -1.594 6.033 -5.040 1.00 0.00 C ATOM 189 C LEU A 15 -0.695 5.526 -6.163 1.00 0.00 C ATOM 190 O LEU A 15 -0.249 4.380 -6.140 1.00 0.00 O ATOM 191 CB LEU A 15 -2.975 6.401 -5.582 1.00 0.00 C ATOM 192 CG LEU A 15 -4.135 6.130 -4.623 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.186 7.191 -3.533 1.00 0.00 C ATOM 194 CD2 LEU A 15 -5.452 6.079 -5.382 1.00 0.00 C ATOM 0 H LEU A 15 -1.575 8.006 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.718 5.237 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.977 7.460 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.147 5.846 -6.504 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.973 5.161 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.018 6.982 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.252 7.180 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.325 8.172 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.267 5.885 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.621 7.033 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.413 5.282 -6.125 1.00 0.00 H new ATOM 206 N LYS A 16 -0.421 6.387 -7.135 1.00 0.00 N ATOM 207 CA LYS A 16 0.441 6.026 -8.254 1.00 0.00 C ATOM 208 C LYS A 16 1.816 5.631 -7.737 1.00 0.00 C ATOM 209 O LYS A 16 2.456 4.718 -8.251 1.00 0.00 O ATOM 210 CB LYS A 16 0.565 7.204 -9.219 1.00 0.00 C ATOM 211 CG LYS A 16 0.102 6.892 -10.629 1.00 0.00 C ATOM 212 CD LYS A 16 0.337 8.075 -11.552 1.00 0.00 C ATOM 213 CE LYS A 16 -0.931 8.468 -12.293 1.00 0.00 C ATOM 214 NZ LYS A 16 -1.844 9.279 -11.441 1.00 0.00 N ATOM 0 H LYS A 16 -0.783 7.340 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 16 0.002 5.181 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.017 8.041 -8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.606 7.527 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.636 6.020 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.958 6.638 -10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.698 8.924 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.117 7.826 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.668 9.035 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.449 7.569 -12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.696 9.526 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.115 8.729 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.359 10.149 -11.143 1.00 0.00 H new ATOM 228 N GLU A 17 2.247 6.335 -6.701 1.00 0.00 N ATOM 229 CA GLU A 17 3.536 6.071 -6.079 1.00 0.00 C ATOM 230 C GLU A 17 3.607 4.626 -5.597 1.00 0.00 C ATOM 231 O GLU A 17 4.583 3.917 -5.857 1.00 0.00 O ATOM 232 CB GLU A 17 3.775 7.030 -4.911 1.00 0.00 C ATOM 233 CG GLU A 17 4.586 8.259 -5.290 1.00 0.00 C ATOM 234 CD GLU A 17 5.949 7.906 -5.854 1.00 0.00 C ATOM 235 OE1 GLU A 17 6.043 7.673 -7.078 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.922 7.864 -5.072 1.00 0.00 O ATOM 0 H GLU A 17 1.721 7.096 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 17 4.316 6.230 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.813 7.349 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.291 6.496 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.032 8.843 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.713 8.891 -4.411 1.00 0.00 H new ATOM 243 N PHE A 18 2.555 4.186 -4.913 1.00 0.00 N ATOM 244 CA PHE A 18 2.495 2.819 -4.413 1.00 0.00 C ATOM 245 C PHE A 18 2.250 1.840 -5.556 1.00 0.00 C ATOM 246 O PHE A 18 2.838 0.760 -5.598 1.00 0.00 O ATOM 247 CB PHE A 18 1.400 2.679 -3.351 1.00 0.00 C ATOM 248 CG PHE A 18 1.526 1.442 -2.497 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.731 0.758 -2.401 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.435 0.967 -1.786 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.841 -0.373 -1.615 1.00 0.00 C ATOM 252 CE2 PHE A 18 0.541 -0.164 -0.999 1.00 0.00 C ATOM 253 CZ PHE A 18 1.745 -0.834 -0.912 1.00 0.00 C ATOM 0 H PHE A 18 1.737 4.754 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 18 3.455 2.583 -3.953 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.420 3.557 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.428 2.669 -3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.592 1.114 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.509 1.487 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.783 -0.896 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.318 -0.524 -0.452 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.830 -1.717 -0.296 1.00 0.00 H new ATOM 263 N SER A 19 1.385 2.231 -6.489 1.00 0.00 N ATOM 264 CA SER A 19 1.071 1.392 -7.640 1.00 0.00 C ATOM 265 C SER A 19 2.344 1.066 -8.410 1.00 0.00 C ATOM 266 O SER A 19 2.636 -0.099 -8.686 1.00 0.00 O ATOM 267 CB SER A 19 0.066 2.094 -8.557 1.00 0.00 C ATOM 268 OG SER A 19 -1.262 1.900 -8.102 1.00 0.00 O ATOM 0 H SER A 19 0.890 3.123 -6.470 1.00 0.00 H new ATOM 0 HA SER A 19 0.624 0.464 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.288 3.160 -8.596 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.166 1.710 -9.572 1.00 0.00 H new ATOM 0 HG SER A 19 -1.884 2.360 -8.704 1.00 0.00 H new ATOM 274 N VAL A 20 3.108 2.103 -8.736 1.00 0.00 N ATOM 275 CA VAL A 20 4.362 1.930 -9.453 1.00 0.00 C ATOM 276 C VAL A 20 5.324 1.096 -8.619 1.00 0.00 C ATOM 277 O VAL A 20 6.009 0.213 -9.135 1.00 0.00 O ATOM 278 CB VAL A 20 5.018 3.283 -9.784 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.245 3.082 -10.661 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.020 4.212 -10.459 1.00 0.00 C ATOM 0 H VAL A 20 2.879 3.072 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 20 4.139 1.420 -10.390 1.00 0.00 H new ATOM 0 HB VAL A 20 5.337 3.747 -8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.695 4.049 -10.884 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.969 2.458 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.952 2.595 -11.591 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.503 5.163 -10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.666 3.756 -11.384 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.175 4.384 -9.793 1.00 0.00 H new ATOM 290 N LEU A 21 5.350 1.371 -7.316 1.00 0.00 N ATOM 291 CA LEU A 21 6.206 0.633 -6.396 1.00 0.00 C ATOM 292 C LEU A 21 5.875 -0.857 -6.456 1.00 0.00 C ATOM 293 O LEU A 21 6.761 -1.710 -6.411 1.00 0.00 O ATOM 294 CB LEU A 21 6.016 1.157 -4.971 1.00 0.00 C ATOM 295 CG LEU A 21 7.166 0.861 -4.007 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.331 1.806 -4.259 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.688 0.971 -2.567 1.00 0.00 C ATOM 0 H LEU A 21 4.788 2.099 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 21 7.246 0.775 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.869 2.236 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.101 0.727 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 21 7.511 -0.158 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.140 1.580 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.686 1.681 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.003 2.835 -4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.516 0.758 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.319 1.980 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.885 0.254 -2.394 1.00 0.00 H new ATOM 309 N LEU A 22 4.582 -1.151 -6.559 1.00 0.00 N ATOM 310 CA LEU A 22 4.100 -2.528 -6.628 1.00 0.00 C ATOM 311 C LEU A 22 4.535 -3.206 -7.925 1.00 0.00 C ATOM 312 O LEU A 22 5.046 -4.326 -7.910 1.00 0.00 O ATOM 313 CB LEU A 22 2.569 -2.553 -6.534 1.00 0.00 C ATOM 314 CG LEU A 22 1.965 -2.562 -5.119 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.250 -3.877 -4.855 1.00 0.00 C ATOM 316 CD2 LEU A 22 3.022 -2.312 -4.050 1.00 0.00 C ATOM 0 H LEU A 22 3.844 -0.448 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 22 4.533 -3.074 -5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.181 -1.683 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.210 -3.436 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 22 1.243 -1.747 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.829 -3.867 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.449 -4.008 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.959 -4.701 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.554 -2.326 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.783 -3.091 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.486 -1.340 -4.217 1.00 0.00 H new ATOM 328 N ASN A 23 4.306 -2.531 -9.046 1.00 0.00 N ATOM 329 CA ASN A 23 4.651 -3.077 -10.357 1.00 0.00 C ATOM 330 C ASN A 23 6.159 -3.062 -10.601 1.00 0.00 C ATOM 331 O ASN A 23 6.680 -3.890 -11.348 1.00 0.00 O ATOM 332 CB ASN A 23 3.938 -2.292 -11.459 1.00 0.00 C ATOM 333 CG ASN A 23 2.428 -2.393 -11.357 1.00 0.00 C ATOM 334 OD1 ASN A 23 1.870 -2.448 -10.262 1.00 0.00 O ATOM 335 ND2 ASN A 23 1.758 -2.420 -12.505 1.00 0.00 N ATOM 0 H ASN A 23 3.882 -1.604 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 23 4.321 -4.116 -10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.234 -1.244 -11.404 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.259 -2.664 -12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.740 -2.489 -12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.262 -2.372 -13.391 1.00 0.00 H new ATOM 342 N GLN A 24 6.856 -2.118 -9.979 1.00 0.00 N ATOM 343 CA GLN A 24 8.302 -2.004 -10.147 1.00 0.00 C ATOM 344 C GLN A 24 9.055 -3.024 -9.287 1.00 0.00 C ATOM 345 O GLN A 24 10.285 -3.069 -9.304 1.00 0.00 O ATOM 346 CB GLN A 24 8.763 -0.584 -9.807 1.00 0.00 C ATOM 347 CG GLN A 24 8.929 -0.328 -8.318 1.00 0.00 C ATOM 348 CD GLN A 24 9.326 1.103 -8.015 1.00 0.00 C ATOM 349 OE1 GLN A 24 8.492 2.009 -8.036 1.00 0.00 O ATOM 350 NE2 GLN A 24 10.605 1.315 -7.733 1.00 0.00 N ATOM 0 H GLN A 24 6.446 -1.422 -9.356 1.00 0.00 H new ATOM 0 HA GLN A 24 8.532 -2.217 -11.191 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.713 -0.392 -10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.042 0.127 -10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.994 -0.558 -7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.685 -1.004 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.262 0.535 -7.727 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.931 2.258 -7.522 1.00 0.00 H new ATOM 359 N GLN A 25 8.317 -3.838 -8.537 1.00 0.00 N ATOM 360 CA GLN A 25 8.932 -4.846 -7.681 1.00 0.00 C ATOM 361 C GLN A 25 9.126 -6.157 -8.435 1.00 0.00 C ATOM 362 O GLN A 25 8.166 -6.877 -8.707 1.00 0.00 O ATOM 363 CB GLN A 25 8.074 -5.079 -6.437 1.00 0.00 C ATOM 364 CG GLN A 25 8.241 -4.005 -5.374 1.00 0.00 C ATOM 365 CD GLN A 25 9.396 -4.287 -4.433 1.00 0.00 C ATOM 366 OE1 GLN A 25 10.279 -3.451 -4.246 1.00 0.00 O ATOM 367 NE2 GLN A 25 9.395 -5.473 -3.835 1.00 0.00 N ATOM 0 H GLN A 25 7.298 -3.819 -8.505 1.00 0.00 H new ATOM 0 HA GLN A 25 9.911 -4.479 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.026 -5.127 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.328 -6.048 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.400 -3.042 -5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.320 -3.924 -4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.642 -6.136 -4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.147 -5.720 -3.192 1.00 0.00 H new ATOM 376 N VAL A 26 10.376 -6.461 -8.773 1.00 0.00 N ATOM 377 CA VAL A 26 10.696 -7.687 -9.497 1.00 0.00 C ATOM 378 C VAL A 26 11.528 -8.630 -8.638 1.00 0.00 C ATOM 379 O VAL A 26 12.738 -8.454 -8.499 1.00 0.00 O ATOM 380 CB VAL A 26 11.465 -7.393 -10.799 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.508 -6.930 -11.887 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.555 -6.358 -10.559 1.00 0.00 C ATOM 0 H VAL A 26 11.183 -5.876 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 26 9.746 -8.161 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 26 11.943 -8.314 -11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.067 -6.726 -12.800 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.771 -7.709 -12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.000 -6.022 -11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.086 -6.165 -11.491 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.105 -5.432 -10.200 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.256 -6.734 -9.814 1.00 0.00 H new ATOM 392 N PHE A 27 10.872 -9.632 -8.065 1.00 0.00 N ATOM 393 CA PHE A 27 11.552 -10.603 -7.218 1.00 0.00 C ATOM 394 C PHE A 27 12.225 -11.684 -8.055 1.00 0.00 C ATOM 395 O PHE A 27 11.558 -12.578 -8.576 1.00 0.00 O ATOM 396 CB PHE A 27 10.566 -11.260 -6.252 1.00 0.00 C ATOM 397 CG PHE A 27 9.673 -10.291 -5.532 1.00 0.00 C ATOM 398 CD1 PHE A 27 10.116 -9.630 -4.398 1.00 0.00 C ATOM 399 CD2 PHE A 27 8.387 -10.051 -5.986 1.00 0.00 C ATOM 400 CE1 PHE A 27 9.290 -8.745 -3.730 1.00 0.00 C ATOM 401 CE2 PHE A 27 7.557 -9.171 -5.321 1.00 0.00 C ATOM 402 CZ PHE A 27 8.009 -8.516 -4.192 1.00 0.00 C ATOM 0 H PHE A 27 9.870 -9.793 -8.172 1.00 0.00 H new ATOM 0 HA PHE A 27 12.313 -10.066 -6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.947 -11.965 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.125 -11.837 -5.516 1.00 0.00 H new ATOM 0 HD1 PHE A 27 11.116 -9.808 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.029 -10.558 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.646 -8.233 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.555 -8.995 -5.683 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.362 -7.826 -3.671 1.00 0.00 H new ATOM 412 N ASN A 28 13.548 -11.615 -8.170 1.00 0.00 N ATOM 413 CA ASN A 28 14.289 -12.612 -8.931 1.00 0.00 C ATOM 414 C ASN A 28 14.032 -14.001 -8.350 1.00 0.00 C ATOM 415 O ASN A 28 13.106 -14.694 -8.772 1.00 0.00 O ATOM 416 CB ASN A 28 15.788 -12.293 -8.923 1.00 0.00 C ATOM 417 CG ASN A 28 16.192 -11.390 -10.072 1.00 0.00 C ATOM 418 OD1 ASN A 28 16.412 -10.193 -9.887 1.00 0.00 O ATOM 419 ND2 ASN A 28 16.289 -11.960 -11.267 1.00 0.00 N ATOM 0 H ASN A 28 14.124 -10.885 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 28 13.946 -12.593 -9.965 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.050 -11.815 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 28 16.355 -13.222 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.555 -11.402 -12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.097 -12.956 -11.374 1.00 0.00 H new ATOM 426 N ASP A 29 14.845 -14.403 -7.376 1.00 0.00 N ATOM 427 CA ASP A 29 14.721 -15.694 -6.713 1.00 0.00 C ATOM 428 C ASP A 29 14.199 -15.476 -5.293 1.00 0.00 C ATOM 429 O ASP A 29 14.046 -14.329 -4.884 1.00 0.00 O ATOM 430 CB ASP A 29 16.088 -16.378 -6.672 1.00 0.00 C ATOM 431 CG ASP A 29 16.187 -17.539 -7.642 1.00 0.00 C ATOM 432 OD1 ASP A 29 16.051 -17.308 -8.862 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.403 -18.680 -7.182 1.00 0.00 O ATOM 0 H ASP A 29 15.615 -13.835 -7.023 1.00 0.00 H new ATOM 0 HA ASP A 29 14.024 -16.329 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.863 -15.648 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.281 -16.736 -5.661 1.00 0.00 H new ATOM 438 N PRO A 30 13.901 -16.554 -4.527 1.00 0.00 N ATOM 439 CA PRO A 30 13.393 -16.481 -3.143 1.00 0.00 C ATOM 440 C PRO A 30 13.808 -15.221 -2.349 1.00 0.00 C ATOM 441 O PRO A 30 13.300 -14.983 -1.253 1.00 0.00 O ATOM 442 CB PRO A 30 14.007 -17.732 -2.504 1.00 0.00 C ATOM 443 CG PRO A 30 14.352 -18.660 -3.637 1.00 0.00 C ATOM 444 CD PRO A 30 14.030 -17.955 -4.933 1.00 0.00 C ATOM 0 HA PRO A 30 12.304 -16.427 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.895 -17.477 -1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.304 -18.202 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 30 15.408 -18.928 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.784 -19.587 -3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.820 -18.089 -5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 30 13.109 -18.332 -5.379 1.00 0.00 H new ATOM 452 N LEU A 31 14.664 -14.397 -2.949 1.00 0.00 N ATOM 453 CA LEU A 31 15.115 -13.116 -2.399 1.00 0.00 C ATOM 454 C LEU A 31 14.953 -12.973 -0.868 1.00 0.00 C ATOM 455 O LEU A 31 15.069 -13.947 -0.123 1.00 0.00 O ATOM 456 CB LEU A 31 14.360 -12.013 -3.166 1.00 0.00 C ATOM 457 CG LEU A 31 15.237 -11.107 -4.032 1.00 0.00 C ATOM 458 CD1 LEU A 31 16.245 -11.935 -4.811 1.00 0.00 C ATOM 459 CD2 LEU A 31 14.379 -10.295 -4.989 1.00 0.00 C ATOM 0 H LEU A 31 15.076 -14.606 -3.858 1.00 0.00 H new ATOM 0 HA LEU A 31 16.193 -13.037 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.610 -12.483 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.824 -11.394 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 31 15.776 -10.422 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.862 -11.276 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.880 -12.484 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.718 -12.639 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.018 -9.656 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.818 -10.969 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.684 -9.677 -4.420 1.00 0.00 H new ATOM 471 N VAL A 32 14.708 -11.737 -0.419 1.00 0.00 N ATOM 472 CA VAL A 32 14.545 -11.415 0.994 1.00 0.00 C ATOM 473 C VAL A 32 13.386 -12.174 1.637 1.00 0.00 C ATOM 474 O VAL A 32 12.475 -12.644 0.957 1.00 0.00 O ATOM 475 CB VAL A 32 14.344 -9.900 1.199 1.00 0.00 C ATOM 476 CG1 VAL A 32 12.926 -9.475 0.837 1.00 0.00 C ATOM 477 CG2 VAL A 32 14.678 -9.513 2.629 1.00 0.00 C ATOM 0 H VAL A 32 14.617 -10.929 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 32 15.466 -11.729 1.486 1.00 0.00 H new ATOM 0 HB VAL A 32 15.024 -9.374 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.817 -8.402 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.731 -9.712 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.214 -10.007 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.532 -8.441 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.026 -10.054 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.717 -9.766 2.841 1.00 0.00 H new ATOM 487 N SER A 33 13.430 -12.261 2.963 1.00 0.00 N ATOM 488 CA SER A 33 12.384 -12.933 3.726 1.00 0.00 C ATOM 489 C SER A 33 11.126 -12.071 3.787 1.00 0.00 C ATOM 490 O SER A 33 11.159 -10.885 3.456 1.00 0.00 O ATOM 491 CB SER A 33 12.876 -13.248 5.141 1.00 0.00 C ATOM 492 OG SER A 33 12.229 -14.397 5.661 1.00 0.00 O ATOM 0 H SER A 33 14.182 -11.873 3.533 1.00 0.00 H new ATOM 0 HA SER A 33 12.140 -13.868 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.954 -13.408 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.689 -12.395 5.793 1.00 0.00 H new ATOM 0 HG SER A 33 12.561 -14.579 6.565 1.00 0.00 H new ATOM 498 N GLU A 34 10.019 -12.668 4.219 1.00 0.00 N ATOM 499 CA GLU A 34 8.754 -11.945 4.327 1.00 0.00 C ATOM 500 C GLU A 34 8.873 -10.808 5.333 1.00 0.00 C ATOM 501 O GLU A 34 8.226 -9.772 5.196 1.00 0.00 O ATOM 502 CB GLU A 34 7.630 -12.899 4.742 1.00 0.00 C ATOM 503 CG GLU A 34 6.700 -13.277 3.602 1.00 0.00 C ATOM 504 CD GLU A 34 5.455 -13.996 4.081 1.00 0.00 C ATOM 505 OE1 GLU A 34 4.592 -13.340 4.702 1.00 0.00 O ATOM 506 OE2 GLU A 34 5.342 -15.215 3.836 1.00 0.00 O ATOM 0 H GLU A 34 9.971 -13.648 4.499 1.00 0.00 H new ATOM 0 HA GLU A 34 8.515 -11.523 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.070 -13.806 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.046 -12.435 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.410 -12.377 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.235 -13.914 2.897 1.00 0.00 H new ATOM 513 N GLU A 35 9.706 -11.015 6.342 1.00 0.00 N ATOM 514 CA GLU A 35 9.916 -10.011 7.376 1.00 0.00 C ATOM 515 C GLU A 35 10.324 -8.673 6.759 1.00 0.00 C ATOM 516 O GLU A 35 9.990 -7.610 7.284 1.00 0.00 O ATOM 517 CB GLU A 35 10.985 -10.482 8.365 1.00 0.00 C ATOM 518 CG GLU A 35 10.595 -10.282 9.820 1.00 0.00 C ATOM 519 CD GLU A 35 11.381 -11.172 10.763 1.00 0.00 C ATOM 520 OE1 GLU A 35 11.036 -12.366 10.878 1.00 0.00 O ATOM 521 OE2 GLU A 35 12.342 -10.674 11.387 1.00 0.00 O ATOM 0 H GLU A 35 10.248 -11.870 6.467 1.00 0.00 H new ATOM 0 HA GLU A 35 8.976 -9.872 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.187 -11.539 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.913 -9.944 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.753 -9.239 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.531 -10.485 9.938 1.00 0.00 H new ATOM 528 N ASP A 36 11.042 -8.733 5.639 1.00 0.00 N ATOM 529 CA ASP A 36 11.486 -7.521 4.958 1.00 0.00 C ATOM 530 C ASP A 36 10.331 -6.842 4.235 1.00 0.00 C ATOM 531 O ASP A 36 10.068 -5.657 4.441 1.00 0.00 O ATOM 532 CB ASP A 36 12.604 -7.842 3.968 1.00 0.00 C ATOM 533 CG ASP A 36 13.141 -6.602 3.280 1.00 0.00 C ATOM 534 OD1 ASP A 36 14.092 -5.993 3.811 1.00 0.00 O ATOM 535 OD2 ASP A 36 12.609 -6.240 2.208 1.00 0.00 O ATOM 0 H ASP A 36 11.327 -9.602 5.187 1.00 0.00 H new ATOM 0 HA ASP A 36 11.868 -6.835 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.417 -8.344 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.231 -8.538 3.217 1.00 0.00 H new ATOM 540 N MET A 37 9.643 -7.596 3.388 1.00 0.00 N ATOM 541 CA MET A 37 8.518 -7.045 2.641 1.00 0.00 C ATOM 542 C MET A 37 7.448 -6.559 3.607 1.00 0.00 C ATOM 543 O MET A 37 6.973 -5.430 3.509 1.00 0.00 O ATOM 544 CB MET A 37 7.935 -8.097 1.695 1.00 0.00 C ATOM 545 CG MET A 37 7.097 -7.510 0.573 1.00 0.00 C ATOM 546 SD MET A 37 8.050 -7.230 -0.932 1.00 0.00 S ATOM 547 CE MET A 37 9.184 -5.957 -0.380 1.00 0.00 C ATOM 0 H MET A 37 9.840 -8.579 3.202 1.00 0.00 H new ATOM 0 HA MET A 37 8.871 -6.204 2.044 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.751 -8.676 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.322 -8.790 2.270 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.268 -8.183 0.354 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.663 -6.567 0.904 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.601 -5.441 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.651 -5.242 0.247 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.990 -6.412 0.195 1.00 0.00 H new ATOM 557 N VAL A 38 7.072 -7.427 4.535 1.00 0.00 N ATOM 558 CA VAL A 38 6.055 -7.104 5.523 1.00 0.00 C ATOM 559 C VAL A 38 6.421 -5.830 6.283 1.00 0.00 C ATOM 560 O VAL A 38 5.590 -4.933 6.427 1.00 0.00 O ATOM 561 CB VAL A 38 5.870 -8.276 6.516 1.00 0.00 C ATOM 562 CG1 VAL A 38 5.257 -7.810 7.830 1.00 0.00 C ATOM 563 CG2 VAL A 38 5.020 -9.370 5.888 1.00 0.00 C ATOM 0 H VAL A 38 7.460 -8.366 4.624 1.00 0.00 H new ATOM 0 HA VAL A 38 5.116 -6.937 4.996 1.00 0.00 H new ATOM 0 HB VAL A 38 6.857 -8.680 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.143 -8.662 8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.908 -7.069 8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.280 -7.366 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.898 -10.188 6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.042 -8.966 5.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.511 -9.740 4.988 1.00 0.00 H new ATOM 573 N THR A 39 7.658 -5.743 6.768 1.00 0.00 N ATOM 574 CA THR A 39 8.092 -4.561 7.505 1.00 0.00 C ATOM 575 C THR A 39 8.140 -3.333 6.598 1.00 0.00 C ATOM 576 O THR A 39 7.812 -2.224 7.024 1.00 0.00 O ATOM 577 CB THR A 39 9.469 -4.803 8.131 1.00 0.00 C ATOM 578 OG1 THR A 39 9.432 -5.912 9.011 1.00 0.00 O ATOM 579 CG2 THR A 39 9.989 -3.616 8.913 1.00 0.00 C ATOM 0 H THR A 39 8.369 -6.468 6.665 1.00 0.00 H new ATOM 0 HA THR A 39 7.366 -4.373 8.296 1.00 0.00 H new ATOM 0 HB THR A 39 10.139 -4.986 7.291 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.858 -6.684 8.583 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.968 -3.855 9.329 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.077 -2.754 8.251 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.298 -3.383 9.723 1.00 0.00 H new ATOM 587 N VAL A 40 8.534 -3.539 5.345 1.00 0.00 N ATOM 588 CA VAL A 40 8.608 -2.446 4.381 1.00 0.00 C ATOM 589 C VAL A 40 7.210 -1.941 4.042 1.00 0.00 C ATOM 590 O VAL A 40 6.990 -0.740 3.881 1.00 0.00 O ATOM 591 CB VAL A 40 9.331 -2.879 3.087 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.299 -1.766 2.049 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.766 -3.285 3.389 1.00 0.00 C ATOM 0 H VAL A 40 8.806 -4.449 4.974 1.00 0.00 H new ATOM 0 HA VAL A 40 9.183 -1.642 4.841 1.00 0.00 H new ATOM 0 HB VAL A 40 8.806 -3.741 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.815 -2.095 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.264 -1.523 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.795 -0.882 2.448 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.261 -3.587 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.299 -2.441 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.768 -4.118 4.091 1.00 0.00 H new ATOM 603 N VAL A 41 6.265 -2.871 3.947 1.00 0.00 N ATOM 604 CA VAL A 41 4.883 -2.536 3.642 1.00 0.00 C ATOM 605 C VAL A 41 4.251 -1.763 4.797 1.00 0.00 C ATOM 606 O VAL A 41 3.608 -0.732 4.594 1.00 0.00 O ATOM 607 CB VAL A 41 4.065 -3.817 3.370 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.598 -3.496 3.138 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.644 -4.576 2.183 1.00 0.00 C ATOM 0 H VAL A 41 6.435 -3.868 4.078 1.00 0.00 H new ATOM 0 HA VAL A 41 4.876 -1.910 2.749 1.00 0.00 H new ATOM 0 HB VAL A 41 4.130 -4.452 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.049 -4.419 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.189 -3.005 4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.502 -2.834 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.056 -5.476 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.615 -3.942 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.676 -4.853 2.397 1.00 0.00 H new ATOM 619 N GLU A 42 4.438 -2.277 6.008 1.00 0.00 N ATOM 620 CA GLU A 42 3.887 -1.653 7.207 1.00 0.00 C ATOM 621 C GLU A 42 4.361 -0.209 7.360 1.00 0.00 C ATOM 622 O GLU A 42 3.553 0.697 7.573 1.00 0.00 O ATOM 623 CB GLU A 42 4.276 -2.463 8.447 1.00 0.00 C ATOM 624 CG GLU A 42 3.086 -2.904 9.286 1.00 0.00 C ATOM 625 CD GLU A 42 3.465 -3.925 10.341 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.014 -3.522 11.387 1.00 0.00 O ATOM 627 OE2 GLU A 42 3.210 -5.128 10.121 1.00 0.00 O ATOM 0 H GLU A 42 4.970 -3.129 6.186 1.00 0.00 H new ATOM 0 HA GLU A 42 2.802 -1.640 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.835 -3.345 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.944 -1.865 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.644 -2.033 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.322 -3.327 8.633 1.00 0.00 H new ATOM 634 N ASP A 43 5.671 0.004 7.260 1.00 0.00 N ATOM 635 CA ASP A 43 6.229 1.346 7.402 1.00 0.00 C ATOM 636 C ASP A 43 5.804 2.250 6.249 1.00 0.00 C ATOM 637 O ASP A 43 5.577 3.445 6.440 1.00 0.00 O ATOM 638 CB ASP A 43 7.758 1.296 7.509 1.00 0.00 C ATOM 639 CG ASP A 43 8.418 0.643 6.311 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.133 1.062 5.170 1.00 0.00 O ATOM 641 OD2 ASP A 43 9.231 -0.282 6.516 1.00 0.00 O ATOM 0 H ASP A 43 6.360 -0.727 7.083 1.00 0.00 H new ATOM 0 HA ASP A 43 5.833 1.769 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.142 2.310 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.035 0.750 8.411 1.00 0.00 H new ATOM 646 N TRP A 44 5.716 1.689 5.046 1.00 0.00 N ATOM 647 CA TRP A 44 5.340 2.483 3.882 1.00 0.00 C ATOM 648 C TRP A 44 3.950 3.091 4.073 1.00 0.00 C ATOM 649 O TRP A 44 3.750 4.290 3.863 1.00 0.00 O ATOM 650 CB TRP A 44 5.359 1.621 2.616 1.00 0.00 C ATOM 651 CG TRP A 44 6.705 1.539 1.961 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.771 2.371 2.159 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.127 0.570 0.995 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.829 1.977 1.377 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.459 0.873 0.653 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.508 -0.526 0.387 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.181 0.120 -0.269 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.226 -1.273 -0.529 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.550 -0.947 -0.849 1.00 0.00 C ATOM 0 H TRP A 44 5.897 0.704 4.854 1.00 0.00 H new ATOM 0 HA TRP A 44 6.066 3.289 3.772 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.026 0.614 2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.641 2.025 1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.780 3.215 2.832 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.741 2.432 1.341 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.488 -0.785 0.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.202 0.369 -0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.758 -2.122 -1.005 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.084 -1.550 -1.568 1.00 0.00 H new ATOM 670 N MET A 45 2.990 2.264 4.471 1.00 0.00 N ATOM 671 CA MET A 45 1.626 2.731 4.683 1.00 0.00 C ATOM 672 C MET A 45 1.540 3.667 5.883 1.00 0.00 C ATOM 673 O MET A 45 0.769 4.627 5.876 1.00 0.00 O ATOM 674 CB MET A 45 0.685 1.541 4.883 1.00 0.00 C ATOM 675 CG MET A 45 1.050 0.668 6.073 1.00 0.00 C ATOM 676 SD MET A 45 -0.266 -0.480 6.520 1.00 0.00 S ATOM 677 CE MET A 45 0.025 -1.799 5.344 1.00 0.00 C ATOM 0 H MET A 45 3.131 1.270 4.653 1.00 0.00 H new ATOM 0 HA MET A 45 1.322 3.287 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.332 1.911 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.689 0.930 3.980 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.955 0.106 5.842 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.279 1.303 6.928 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.919 -2.289 5.106 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.459 -1.386 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.712 -2.526 5.776 1.00 0.00 H new ATOM 687 N ASN A 46 2.329 3.386 6.917 1.00 0.00 N ATOM 688 CA ASN A 46 2.320 4.211 8.120 1.00 0.00 C ATOM 689 C ASN A 46 2.907 5.596 7.844 1.00 0.00 C ATOM 690 O ASN A 46 2.480 6.590 8.436 1.00 0.00 O ATOM 691 CB ASN A 46 3.074 3.504 9.261 1.00 0.00 C ATOM 692 CG ASN A 46 4.422 4.130 9.579 1.00 0.00 C ATOM 693 OD1 ASN A 46 5.239 4.359 8.688 1.00 0.00 O ATOM 694 ND2 ASN A 46 4.657 4.411 10.854 1.00 0.00 N ATOM 0 H ASN A 46 2.978 2.599 6.946 1.00 0.00 H new ATOM 0 HA ASN A 46 1.285 4.351 8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.455 3.519 10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.223 2.458 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.544 4.834 11.128 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.951 4.204 11.560 1.00 0.00 H new ATOM 701 N PHE A 47 3.874 5.672 6.934 1.00 0.00 N ATOM 702 CA PHE A 47 4.472 6.955 6.599 1.00 0.00 C ATOM 703 C PHE A 47 3.513 7.751 5.734 1.00 0.00 C ATOM 704 O PHE A 47 3.373 8.957 5.900 1.00 0.00 O ATOM 705 CB PHE A 47 5.837 6.776 5.909 1.00 0.00 C ATOM 706 CG PHE A 47 5.855 7.096 4.434 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.899 8.411 3.984 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.840 6.077 3.498 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.926 8.694 2.632 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.865 6.356 2.144 1.00 0.00 C ATOM 711 CZ PHE A 47 5.908 7.665 1.711 1.00 0.00 C ATOM 0 H PHE A 47 4.253 4.874 6.425 1.00 0.00 H new ATOM 0 HA PHE A 47 4.655 7.508 7.520 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.567 7.411 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.163 5.745 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.912 9.220 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.808 5.050 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.961 9.720 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.851 5.550 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.928 7.885 0.654 1.00 0.00 H new ATOM 721 N TYR A 48 2.833 7.064 4.823 1.00 0.00 N ATOM 722 CA TYR A 48 1.870 7.723 3.959 1.00 0.00 C ATOM 723 C TYR A 48 0.708 8.254 4.787 1.00 0.00 C ATOM 724 O TYR A 48 0.301 9.403 4.639 1.00 0.00 O ATOM 725 CB TYR A 48 1.354 6.757 2.890 1.00 0.00 C ATOM 726 CG TYR A 48 2.260 6.639 1.685 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.705 7.770 1.011 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.667 5.396 1.220 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.529 7.663 -0.093 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.493 5.281 0.118 1.00 0.00 C ATOM 731 CZ TYR A 48 3.921 6.418 -0.535 1.00 0.00 C ATOM 732 OH TYR A 48 4.742 6.308 -1.634 1.00 0.00 O ATOM 0 H TYR A 48 2.931 6.061 4.667 1.00 0.00 H new ATOM 0 HA TYR A 48 2.365 8.556 3.460 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.228 5.770 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.369 7.087 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.402 8.748 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.332 4.504 1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.864 8.551 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.802 4.306 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 48 4.924 5.362 -1.813 1.00 0.00 H new ATOM 742 N ILE A 49 0.173 7.406 5.659 1.00 0.00 N ATOM 743 CA ILE A 49 -0.944 7.794 6.508 1.00 0.00 C ATOM 744 C ILE A 49 -0.600 9.021 7.356 1.00 0.00 C ATOM 745 O ILE A 49 -1.361 9.988 7.395 1.00 0.00 O ATOM 746 CB ILE A 49 -1.390 6.637 7.432 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.660 7.022 8.189 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.288 6.263 8.405 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.359 5.847 8.838 1.00 0.00 C ATOM 0 H ILE A 49 0.495 6.448 5.795 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.769 8.044 5.841 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.602 5.768 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.407 7.753 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.350 7.509 7.500 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.627 5.447 9.043 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.595 5.946 7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.039 7.126 9.022 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.252 6.196 9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.643 5.125 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.686 5.373 9.552 1.00 0.00 H new ATOM 761 N ASN A 50 0.546 8.981 8.037 1.00 0.00 N ATOM 762 CA ASN A 50 0.965 10.095 8.884 1.00 0.00 C ATOM 763 C ASN A 50 1.397 11.298 8.052 1.00 0.00 C ATOM 764 O ASN A 50 1.159 12.446 8.429 1.00 0.00 O ATOM 765 CB ASN A 50 2.108 9.660 9.801 1.00 0.00 C ATOM 766 CG ASN A 50 1.648 8.713 10.891 1.00 0.00 C ATOM 767 OD1 ASN A 50 1.712 7.493 10.739 1.00 0.00 O ATOM 768 ND2 ASN A 50 1.178 9.272 12.000 1.00 0.00 N ATOM 0 H ASN A 50 1.195 8.195 8.018 1.00 0.00 H new ATOM 0 HA ASN A 50 0.108 10.392 9.489 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.883 9.176 9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.560 10.541 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.852 8.685 12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.143 10.288 12.084 1.00 0.00 H new ATOM 775 N TYR A 51 2.048 11.027 6.930 1.00 0.00 N ATOM 776 CA TYR A 51 2.537 12.076 6.044 1.00 0.00 C ATOM 777 C TYR A 51 1.388 12.826 5.381 1.00 0.00 C ATOM 778 O TYR A 51 1.282 14.047 5.490 1.00 0.00 O ATOM 779 CB TYR A 51 3.451 11.446 4.993 1.00 0.00 C ATOM 780 CG TYR A 51 3.920 12.375 3.900 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.898 13.755 4.052 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.399 11.854 2.709 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.340 14.588 3.041 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.842 12.675 1.697 1.00 0.00 C ATOM 785 CZ TYR A 51 4.812 14.043 1.865 1.00 0.00 C ATOM 786 OH TYR A 51 5.253 14.868 0.856 1.00 0.00 O ATOM 0 H TYR A 51 2.252 10.081 6.609 1.00 0.00 H new ATOM 0 HA TYR A 51 3.097 12.805 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.326 11.035 5.497 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.925 10.609 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.531 14.184 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.425 10.783 2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.316 15.660 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.211 12.250 0.776 1.00 0.00 H new ATOM 0 HH TYR A 51 5.553 14.325 0.097 1.00 0.00 H new ATOM 796 N TYR A 52 0.534 12.088 4.691 1.00 0.00 N ATOM 797 CA TYR A 52 -0.606 12.678 4.004 1.00 0.00 C ATOM 798 C TYR A 52 -1.578 13.304 4.994 1.00 0.00 C ATOM 799 O TYR A 52 -2.167 14.347 4.714 1.00 0.00 O ATOM 800 CB TYR A 52 -1.322 11.629 3.154 1.00 0.00 C ATOM 801 CG TYR A 52 -0.501 11.145 1.981 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.357 12.006 1.308 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.581 9.828 1.550 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.112 11.569 0.240 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.171 9.383 0.481 1.00 0.00 C ATOM 806 CZ TYR A 52 1.017 10.257 -0.170 1.00 0.00 C ATOM 807 OH TYR A 52 1.773 9.818 -1.232 1.00 0.00 O ATOM 0 H TYR A 52 0.608 11.076 4.591 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.231 13.465 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.581 10.777 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.258 12.048 2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.434 13.035 1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.241 9.141 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.774 12.251 -0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.097 8.356 0.156 1.00 0.00 H new ATOM 0 HH TYR A 52 2.196 8.964 -1.002 1.00 0.00 H new ATOM 817 N ARG A 53 -1.736 12.680 6.156 1.00 0.00 N ATOM 818 CA ARG A 53 -2.632 13.209 7.178 1.00 0.00 C ATOM 819 C ARG A 53 -2.262 14.651 7.522 1.00 0.00 C ATOM 820 O ARG A 53 -3.093 15.421 8.001 1.00 0.00 O ATOM 821 CB ARG A 53 -2.582 12.336 8.435 1.00 0.00 C ATOM 822 CG ARG A 53 -3.469 12.834 9.565 1.00 0.00 C ATOM 823 CD ARG A 53 -2.827 12.597 10.921 1.00 0.00 C ATOM 824 NE ARG A 53 -2.749 11.176 11.245 1.00 0.00 N ATOM 825 CZ ARG A 53 -2.608 10.704 12.483 1.00 0.00 C ATOM 826 NH1 ARG A 53 -2.531 11.536 13.514 1.00 0.00 N ATOM 827 NH2 ARG A 53 -2.545 9.395 12.688 1.00 0.00 N ATOM 0 H ARG A 53 -1.260 11.815 6.413 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.648 13.197 6.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.880 11.321 8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.553 12.285 8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.664 13.898 9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.433 12.326 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.825 13.027 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.401 13.114 11.690 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.806 10.505 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.580 12.543 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.423 11.168 14.459 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.604 8.752 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.437 9.032 13.635 1.00 0.00 H new ATOM 841 N GLN A 54 -1.006 15.010 7.267 1.00 0.00 N ATOM 842 CA GLN A 54 -0.519 16.353 7.545 1.00 0.00 C ATOM 843 C GLN A 54 -0.229 17.118 6.248 1.00 0.00 C ATOM 844 O GLN A 54 0.066 18.314 6.279 1.00 0.00 O ATOM 845 CB GLN A 54 0.742 16.262 8.419 1.00 0.00 C ATOM 846 CG GLN A 54 1.833 17.259 8.061 1.00 0.00 C ATOM 847 CD GLN A 54 2.993 17.225 9.034 1.00 0.00 C ATOM 848 OE1 GLN A 54 2.955 17.862 10.087 1.00 0.00 O ATOM 849 NE2 GLN A 54 4.035 16.478 8.687 1.00 0.00 N ATOM 0 H GLN A 54 -0.307 14.385 6.867 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.291 16.906 8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.458 16.412 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.150 15.254 8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.199 17.046 7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.410 18.263 8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.024 15.966 7.805 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.846 16.416 9.303 1.00 0.00 H new ATOM 858 N GLN A 55 -0.303 16.427 5.113 1.00 0.00 N ATOM 859 CA GLN A 55 -0.033 17.051 3.821 1.00 0.00 C ATOM 860 C GLN A 55 -1.320 17.344 3.047 1.00 0.00 C ATOM 861 O GLN A 55 -1.381 17.138 1.835 1.00 0.00 O ATOM 862 CB GLN A 55 0.878 16.154 2.983 1.00 0.00 C ATOM 863 CG GLN A 55 1.852 16.926 2.107 1.00 0.00 C ATOM 864 CD GLN A 55 2.706 17.894 2.900 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.931 19.029 2.481 1.00 0.00 O ATOM 866 NE2 GLN A 55 3.190 17.448 4.053 1.00 0.00 N ATOM 0 H GLN A 55 -0.547 15.438 5.062 1.00 0.00 H new ATOM 0 HA GLN A 55 0.464 18.001 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.441 15.499 3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.262 15.514 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.498 16.223 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.295 17.476 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.978 16.499 4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.774 18.054 4.630 1.00 0.00 H new ATOM 927 N PRO A 60 -11.572 20.098 6.722 1.00 0.00 N ATOM 928 CA PRO A 60 -11.252 18.804 7.335 1.00 0.00 C ATOM 929 C PRO A 60 -11.953 17.635 6.646 1.00 0.00 C ATOM 930 O PRO A 60 -11.524 16.488 6.767 1.00 0.00 O ATOM 931 CB PRO A 60 -11.753 18.954 8.774 1.00 0.00 C ATOM 932 CG PRO A 60 -12.807 20.005 8.703 1.00 0.00 C ATOM 933 CD PRO A 60 -12.371 20.953 7.621 1.00 0.00 C ATOM 0 HA PRO A 60 -10.189 18.577 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.156 18.015 9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.946 19.248 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.779 19.569 8.472 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.908 20.522 9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -13.224 21.393 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.781 21.777 8.022 1.00 0.00 H new ATOM 941 N GLN A 61 -13.031 17.929 5.925 1.00 0.00 N ATOM 942 CA GLN A 61 -13.784 16.895 5.223 1.00 0.00 C ATOM 943 C GLN A 61 -12.976 16.321 4.064 1.00 0.00 C ATOM 944 O GLN A 61 -13.002 15.116 3.811 1.00 0.00 O ATOM 945 CB GLN A 61 -15.107 17.461 4.703 1.00 0.00 C ATOM 946 CG GLN A 61 -14.933 18.569 3.677 1.00 0.00 C ATOM 947 CD GLN A 61 -16.249 19.200 3.268 1.00 0.00 C ATOM 948 OE1 GLN A 61 -17.202 18.503 2.914 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.310 20.525 3.314 1.00 0.00 N ATOM 0 H GLN A 61 -13.402 18.872 5.812 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.991 16.092 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.688 16.653 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -15.685 17.844 5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.278 19.338 4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.438 18.166 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.497 21.063 3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.170 21.005 3.050 1.00 0.00 H new ATOM 958 N GLU A 62 -12.256 17.191 3.367 1.00 0.00 N ATOM 959 CA GLU A 62 -11.438 16.773 2.236 1.00 0.00 C ATOM 960 C GLU A 62 -10.309 15.861 2.704 1.00 0.00 C ATOM 961 O GLU A 62 -10.068 14.802 2.121 1.00 0.00 O ATOM 962 CB GLU A 62 -10.861 17.994 1.517 1.00 0.00 C ATOM 963 CG GLU A 62 -11.692 18.449 0.328 1.00 0.00 C ATOM 964 CD GLU A 62 -11.111 17.993 -0.997 1.00 0.00 C ATOM 965 OE1 GLU A 62 -10.017 18.471 -1.361 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.752 17.158 -1.670 1.00 0.00 O ATOM 0 H GLU A 62 -12.222 18.191 3.565 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.069 16.220 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.777 18.817 2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.852 17.762 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.706 18.062 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.764 19.537 0.334 1.00 0.00 H new ATOM 973 N ARG A 63 -9.625 16.271 3.769 1.00 0.00 N ATOM 974 CA ARG A 63 -8.534 15.478 4.314 1.00 0.00 C ATOM 975 C ARG A 63 -9.057 14.122 4.766 1.00 0.00 C ATOM 976 O ARG A 63 -8.496 13.082 4.426 1.00 0.00 O ATOM 977 CB ARG A 63 -7.876 16.194 5.501 1.00 0.00 C ATOM 978 CG ARG A 63 -7.761 17.703 5.337 1.00 0.00 C ATOM 979 CD ARG A 63 -7.059 18.337 6.529 1.00 0.00 C ATOM 980 NE ARG A 63 -6.927 19.785 6.379 1.00 0.00 N ATOM 981 CZ ARG A 63 -6.815 20.631 7.401 1.00 0.00 C ATOM 982 NH1 ARG A 63 -6.810 20.184 8.651 1.00 0.00 N ATOM 983 NH2 ARG A 63 -6.704 21.933 7.171 1.00 0.00 N ATOM 0 H ARG A 63 -9.807 17.142 4.267 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.787 15.342 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.450 15.981 6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.879 15.780 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.210 17.931 4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.755 18.136 5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.618 18.116 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.071 17.893 6.646 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.920 20.170 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.892 19.184 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.724 20.840 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.705 22.284 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.618 22.583 7.952 1.00 0.00 H new ATOM 997 N ASP A 64 -10.118 14.150 5.564 1.00 0.00 N ATOM 998 CA ASP A 64 -10.697 12.926 6.099 1.00 0.00 C ATOM 999 C ASP A 64 -11.053 11.940 4.989 1.00 0.00 C ATOM 1000 O ASP A 64 -10.812 10.740 5.130 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.941 13.246 6.931 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.628 13.387 8.407 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.010 14.403 8.789 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -11.997 12.479 9.181 1.00 0.00 O ATOM 0 H ASP A 64 -10.593 15.005 5.854 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.947 12.458 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.390 14.170 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.680 12.457 6.793 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.619 12.425 3.885 1.00 0.00 N ATOM 1010 CA LYS A 65 -11.983 11.541 2.786 1.00 0.00 C ATOM 1011 C LYS A 65 -10.739 11.028 2.072 1.00 0.00 C ATOM 1012 O LYS A 65 -10.724 9.912 1.552 1.00 0.00 O ATOM 1013 CB LYS A 65 -12.893 12.268 1.794 1.00 0.00 C ATOM 1014 CG LYS A 65 -14.366 12.213 2.165 1.00 0.00 C ATOM 1015 CD LYS A 65 -15.094 13.484 1.752 1.00 0.00 C ATOM 1016 CE LYS A 65 -16.128 13.210 0.671 1.00 0.00 C ATOM 1017 NZ LYS A 65 -17.454 12.854 1.247 1.00 0.00 N ATOM 0 H LYS A 65 -11.832 13.411 3.731 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.522 10.689 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.583 13.311 1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.760 11.831 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.832 11.353 1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.466 12.069 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.583 13.923 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.372 14.216 1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.232 14.091 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.780 12.398 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.130 12.675 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.360 11.999 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.799 13.639 1.835 1.00 0.00 H new ATOM 1031 N ALA A 66 -9.692 11.843 2.054 1.00 0.00 N ATOM 1032 CA ALA A 66 -8.446 11.453 1.413 1.00 0.00 C ATOM 1033 C ALA A 66 -7.730 10.396 2.248 1.00 0.00 C ATOM 1034 O ALA A 66 -7.216 9.410 1.719 1.00 0.00 O ATOM 1035 CB ALA A 66 -7.550 12.666 1.206 1.00 0.00 C ATOM 0 H ALA A 66 -9.682 12.773 2.474 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.677 11.027 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.622 12.355 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.061 13.392 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.324 13.120 2.171 1.00 0.00 H new ATOM 1041 N LEU A 67 -7.700 10.617 3.559 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.047 9.696 4.480 1.00 0.00 C ATOM 1043 C LEU A 67 -7.740 8.339 4.494 1.00 0.00 C ATOM 1044 O LEU A 67 -7.079 7.300 4.530 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.029 10.289 5.891 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.707 10.939 6.309 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.188 11.871 5.218 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -5.882 11.688 7.622 1.00 0.00 C ATOM 0 H LEU A 67 -8.123 11.430 4.008 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.023 9.548 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.821 11.034 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.268 9.499 6.603 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.967 10.152 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.248 12.320 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.024 11.303 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.920 12.657 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.935 12.146 7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.638 12.464 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.198 10.992 8.399 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.070 8.341 4.457 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.818 7.090 4.458 1.00 0.00 C ATOM 1062 C GLN A 68 -9.648 6.374 3.125 1.00 0.00 C ATOM 1063 O GLN A 68 -9.440 5.160 3.084 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.301 7.336 4.746 1.00 0.00 C ATOM 1065 CG GLN A 68 -11.949 8.349 3.817 1.00 0.00 C ATOM 1066 CD GLN A 68 -12.732 7.696 2.694 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -12.283 6.720 2.094 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -13.911 8.235 2.405 1.00 0.00 N ATOM 0 H GLN A 68 -9.644 9.183 4.426 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.421 6.457 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.838 6.391 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.409 7.680 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.615 8.991 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.178 8.991 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.244 9.044 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.484 7.840 1.659 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.732 7.129 2.034 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.584 6.557 0.704 1.00 0.00 C ATOM 1079 C GLU A 69 -8.198 5.956 0.529 1.00 0.00 C ATOM 1080 O GLU A 69 -8.024 4.977 -0.196 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.837 7.618 -0.369 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.165 7.035 -1.734 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.646 7.093 -2.052 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -12.204 8.209 -2.086 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.249 6.019 -2.266 1.00 0.00 O ATOM 0 H GLU A 69 -9.901 8.135 2.046 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.323 5.764 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.659 8.258 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.955 8.252 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.611 7.578 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.829 5.999 -1.773 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.211 6.529 1.208 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.853 6.011 1.126 1.00 0.00 C ATOM 1094 C LEU A 70 -5.773 4.688 1.873 1.00 0.00 C ATOM 1095 O LEU A 70 -5.259 3.695 1.359 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.857 7.014 1.712 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.162 7.912 0.688 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.741 9.226 1.329 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.959 7.201 0.088 1.00 0.00 C ATOM 0 H LEU A 70 -7.324 7.342 1.814 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.595 5.851 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.381 7.645 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.096 6.465 2.266 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.867 8.132 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.248 9.852 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.621 9.742 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.052 9.026 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.476 7.854 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.252 6.952 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.286 6.287 -0.407 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.287 4.691 3.098 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.280 3.501 3.940 1.00 0.00 C ATOM 1113 C ARG A 71 -6.951 2.323 3.240 1.00 0.00 C ATOM 1114 O ARG A 71 -6.437 1.205 3.267 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.987 3.786 5.266 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.753 2.718 6.322 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.791 1.610 6.237 1.00 0.00 C ATOM 1118 NE ARG A 71 -9.154 2.125 6.341 1.00 0.00 N ATOM 1119 CZ ARG A 71 -10.235 1.445 5.964 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.115 0.224 5.458 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -11.438 1.987 6.095 1.00 0.00 N ATOM 0 H ARG A 71 -6.716 5.509 3.531 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.241 3.237 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.646 4.747 5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.058 3.878 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.757 2.294 6.197 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.785 3.172 7.313 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.676 1.078 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.615 0.887 7.034 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.285 3.061 6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.192 -0.198 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.946 -0.293 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.535 2.925 6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.266 1.466 5.806 1.00 0.00 H new ATOM 1135 N GLN A 72 -8.099 2.569 2.610 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.810 1.506 1.909 1.00 0.00 C ATOM 1137 C GLN A 72 -8.041 1.085 0.662 1.00 0.00 C ATOM 1138 O GLN A 72 -7.968 -0.102 0.334 1.00 0.00 O ATOM 1139 CB GLN A 72 -10.230 1.945 1.538 1.00 0.00 C ATOM 1140 CG GLN A 72 -10.306 3.342 0.948 1.00 0.00 C ATOM 1141 CD GLN A 72 -10.944 3.363 -0.427 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -12.159 3.519 -0.559 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -10.126 3.208 -1.462 1.00 0.00 N ATOM 0 H GLN A 72 -8.550 3.483 2.571 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.885 0.650 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.644 1.235 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.858 1.902 2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.877 3.984 1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.301 3.760 0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.126 3.082 -1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.498 3.215 -2.412 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.457 2.062 -0.025 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.684 1.787 -1.230 1.00 0.00 C ATOM 1154 C GLU A 73 -5.493 0.892 -0.908 1.00 0.00 C ATOM 1155 O GLU A 73 -5.247 -0.095 -1.597 1.00 0.00 O ATOM 1156 CB GLU A 73 -6.202 3.090 -1.869 1.00 0.00 C ATOM 1157 CG GLU A 73 -5.922 2.970 -3.359 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.190 2.923 -4.189 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -8.084 2.114 -3.862 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -7.289 3.695 -5.166 1.00 0.00 O ATOM 0 H GLU A 73 -7.504 3.048 0.232 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.331 1.269 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.954 3.863 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.295 3.419 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.313 3.816 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.338 2.069 -3.544 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.759 1.236 0.147 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.601 0.449 0.553 1.00 0.00 C ATOM 1169 C LEU A 74 -4.040 -0.923 1.050 1.00 0.00 C ATOM 1170 O LEU A 74 -3.442 -1.943 0.706 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.819 1.176 1.648 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.267 2.546 1.246 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.421 3.542 2.386 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.807 2.430 0.831 1.00 0.00 C ATOM 0 H LEU A 74 -4.945 2.050 0.733 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.953 0.319 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.468 1.302 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.988 0.544 1.961 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.840 2.911 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.023 4.509 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.476 3.647 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.874 3.184 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.430 3.413 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.221 2.043 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.723 1.751 -0.018 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.080 -0.937 1.879 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.592 -2.181 2.444 1.00 0.00 C ATOM 1188 C ASN A 75 -5.879 -3.202 1.347 1.00 0.00 C ATOM 1189 O ASN A 75 -5.554 -4.381 1.485 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.862 -1.913 3.256 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.604 -1.909 4.750 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.767 -2.926 5.423 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.200 -0.759 5.279 1.00 0.00 N ATOM 0 H ASN A 75 -5.584 -0.101 2.174 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.828 -2.592 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.283 -0.952 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.607 -2.673 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.012 -0.696 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.077 0.061 4.684 1.00 0.00 H new ATOM 1200 N THR A 76 -6.466 -2.740 0.251 1.00 0.00 N ATOM 1201 CA THR A 76 -6.759 -3.628 -0.868 1.00 0.00 C ATOM 1202 C THR A 76 -5.508 -3.829 -1.720 1.00 0.00 C ATOM 1203 O THR A 76 -5.129 -4.954 -2.031 1.00 0.00 O ATOM 1204 CB THR A 76 -7.893 -3.057 -1.722 1.00 0.00 C ATOM 1205 OG1 THR A 76 -9.010 -2.727 -0.916 1.00 0.00 O ATOM 1206 CG2 THR A 76 -8.368 -4.007 -2.799 1.00 0.00 C ATOM 0 H THR A 76 -6.746 -1.769 0.112 1.00 0.00 H new ATOM 0 HA THR A 76 -7.076 -4.593 -0.472 1.00 0.00 H new ATOM 0 HB THR A 76 -7.476 -2.171 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.838 -1.883 -0.448 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.172 -3.540 -3.367 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.540 -4.242 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.734 -4.925 -2.339 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.891 -2.717 -2.105 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.690 -2.729 -2.943 1.00 0.00 C ATOM 1216 C LEU A 77 -2.626 -3.701 -2.429 1.00 0.00 C ATOM 1217 O LEU A 77 -1.988 -4.401 -3.215 1.00 0.00 O ATOM 1218 CB LEU A 77 -3.098 -1.320 -3.026 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.752 -0.396 -4.058 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -3.009 0.929 -4.131 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.792 -1.063 -5.426 1.00 0.00 C ATOM 0 H LEU A 77 -5.206 -1.782 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.994 -3.069 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.175 -0.853 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.036 -1.403 -3.258 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.777 -0.200 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.486 1.574 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.033 1.414 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.974 0.750 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.260 -0.391 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.776 -1.290 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.368 -1.986 -5.364 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.413 -3.718 -1.118 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.399 -4.584 -0.516 1.00 0.00 C ATOM 1235 C ALA A 78 -1.817 -6.056 -0.498 1.00 0.00 C ATOM 1236 O ALA A 78 -0.966 -6.946 -0.513 1.00 0.00 O ATOM 1237 CB ALA A 78 -1.088 -4.111 0.895 1.00 0.00 C ATOM 0 H ALA A 78 -2.927 -3.144 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.505 -4.515 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.332 -4.760 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.713 -3.088 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.995 -4.146 1.499 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.120 -6.311 -0.433 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.626 -7.683 -0.376 1.00 0.00 C ATOM 1245 C ASN A 79 -3.053 -8.565 -1.493 1.00 0.00 C ATOM 1246 O ASN A 79 -2.565 -9.664 -1.227 1.00 0.00 O ATOM 1247 CB ASN A 79 -5.155 -7.681 -0.452 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.799 -8.201 0.819 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.291 -7.428 1.640 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.797 -9.518 0.988 1.00 0.00 N ATOM 0 H ASN A 79 -3.843 -5.592 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.301 -8.106 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.505 -6.667 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.475 -8.294 -1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.215 -9.925 1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.378 -10.122 0.281 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.108 -8.109 -2.756 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.597 -8.880 -3.895 1.00 0.00 C ATOM 1259 C PRO A 80 -1.073 -8.944 -3.944 1.00 0.00 C ATOM 1260 O PRO A 80 -0.506 -9.853 -4.552 1.00 0.00 O ATOM 1261 CB PRO A 80 -3.134 -8.118 -5.108 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.292 -6.719 -4.627 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.689 -6.825 -3.181 1.00 0.00 C ATOM 0 HA PRO A 80 -2.915 -9.921 -3.843 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.443 -8.173 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.084 -8.531 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.363 -6.160 -4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.052 -6.191 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.296 -5.994 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.772 -6.816 -3.061 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.405 -7.977 -3.316 1.00 0.00 N ATOM 1272 CA PHE A 81 1.055 -7.938 -3.313 1.00 0.00 C ATOM 1273 C PHE A 81 1.642 -9.019 -2.415 1.00 0.00 C ATOM 1274 O PHE A 81 2.527 -9.768 -2.827 1.00 0.00 O ATOM 1275 CB PHE A 81 1.543 -6.564 -2.845 1.00 0.00 C ATOM 1276 CG PHE A 81 3.004 -6.302 -3.110 1.00 0.00 C ATOM 1277 CD1 PHE A 81 3.769 -7.189 -3.857 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.611 -5.161 -2.611 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.106 -6.939 -4.097 1.00 0.00 C ATOM 1280 CE2 PHE A 81 4.949 -4.908 -2.849 1.00 0.00 C ATOM 1281 CZ PHE A 81 5.696 -5.798 -3.593 1.00 0.00 C ATOM 0 H PHE A 81 -0.850 -7.214 -2.805 1.00 0.00 H new ATOM 0 HA PHE A 81 1.393 -8.122 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.952 -5.793 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.357 -6.470 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.313 -8.084 -4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.031 -4.460 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.690 -7.637 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.409 -4.015 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.741 -5.602 -3.781 1.00 0.00 H new ATOM 1291 N LEU A 82 1.143 -9.098 -1.186 1.00 0.00 N ATOM 1292 CA LEU A 82 1.623 -10.092 -0.238 1.00 0.00 C ATOM 1293 C LEU A 82 1.233 -11.494 -0.695 1.00 0.00 C ATOM 1294 O LEU A 82 1.901 -12.474 -0.366 1.00 0.00 O ATOM 1295 CB LEU A 82 1.071 -9.808 1.160 1.00 0.00 C ATOM 1296 CG LEU A 82 1.411 -8.424 1.723 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.816 -8.254 3.111 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.919 -8.209 1.758 1.00 0.00 C ATOM 0 H LEU A 82 0.409 -8.488 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 82 2.711 -10.034 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.013 -9.917 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.452 -10.566 1.845 1.00 0.00 H new ATOM 0 HG LEU A 82 0.976 -7.672 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.067 -7.266 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.268 -8.358 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.221 -9.016 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.136 -7.220 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.380 -8.968 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.321 -8.285 0.748 1.00 0.00 H new ATOM 1310 N ALA A 83 0.152 -11.582 -1.469 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.317 -12.862 -1.984 1.00 0.00 C ATOM 1312 C ALA A 83 0.597 -13.355 -3.098 1.00 0.00 C ATOM 1313 O ALA A 83 1.098 -14.479 -3.056 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.750 -12.745 -2.482 1.00 0.00 C ATOM 0 H ALA A 83 -0.413 -10.781 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.294 -13.589 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.083 -13.711 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.397 -12.436 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.799 -12.004 -3.280 1.00 0.00 H new ATOM 1320 N LYS A 84 0.825 -12.496 -4.083 1.00 0.00 N ATOM 1321 CA LYS A 84 1.697 -12.830 -5.203 1.00 0.00 C ATOM 1322 C LYS A 84 3.107 -13.109 -4.700 1.00 0.00 C ATOM 1323 O LYS A 84 3.825 -13.945 -5.249 1.00 0.00 O ATOM 1324 CB LYS A 84 1.717 -11.689 -6.223 1.00 0.00 C ATOM 1325 CG LYS A 84 0.502 -11.671 -7.136 1.00 0.00 C ATOM 1326 CD LYS A 84 0.889 -11.881 -8.591 1.00 0.00 C ATOM 1327 CE LYS A 84 -0.252 -12.494 -9.388 1.00 0.00 C ATOM 1328 NZ LYS A 84 -1.411 -11.566 -9.504 1.00 0.00 N ATOM 0 H LYS A 84 0.418 -11.562 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 84 1.311 -13.725 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.777 -10.739 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.618 -11.772 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.196 -12.450 -6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.018 -10.719 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.173 -10.927 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.763 -12.530 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.102 -12.758 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.574 -13.418 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.167 -12.022 -10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.766 -11.333 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.111 -10.694 -9.985 1.00 0.00 H new ATOM 1342 N TYR A 85 3.484 -12.409 -3.635 1.00 0.00 N ATOM 1343 CA TYR A 85 4.799 -12.596 -3.044 1.00 0.00 C ATOM 1344 C TYR A 85 4.889 -14.000 -2.453 1.00 0.00 C ATOM 1345 O TYR A 85 5.822 -14.751 -2.743 1.00 0.00 O ATOM 1346 CB TYR A 85 5.062 -11.544 -1.968 1.00 0.00 C ATOM 1347 CG TYR A 85 6.439 -11.643 -1.358 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.579 -11.484 -2.138 1.00 0.00 C ATOM 1349 CD2 TYR A 85 6.603 -11.898 -0.003 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.841 -11.576 -1.584 1.00 0.00 C ATOM 1351 CE2 TYR A 85 7.861 -11.991 0.558 1.00 0.00 C ATOM 1352 CZ TYR A 85 8.976 -11.830 -0.236 1.00 0.00 C ATOM 1353 OH TYR A 85 10.230 -11.923 0.319 1.00 0.00 O ATOM 0 H TYR A 85 2.902 -11.714 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 85 5.559 -12.480 -3.817 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.935 -10.552 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.315 -11.646 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.476 -11.285 -3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.732 -12.026 0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.717 -11.450 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.971 -12.189 1.614 1.00 0.00 H new ATOM 0 HH TYR A 85 10.714 -12.671 -0.089 1.00 0.00 H new ATOM 1363 N ARG A 86 3.908 -14.350 -1.622 1.00 0.00 N ATOM 1364 CA ARG A 86 3.877 -15.666 -0.993 1.00 0.00 C ATOM 1365 C ARG A 86 3.960 -16.760 -2.051 1.00 0.00 C ATOM 1366 O ARG A 86 4.742 -17.701 -1.918 1.00 0.00 O ATOM 1367 CB ARG A 86 2.600 -15.834 -0.164 1.00 0.00 C ATOM 1368 CG ARG A 86 2.854 -16.317 1.255 1.00 0.00 C ATOM 1369 CD ARG A 86 1.674 -17.110 1.799 1.00 0.00 C ATOM 1370 NE ARG A 86 1.521 -18.400 1.127 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.696 -18.616 0.102 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -0.059 -17.636 -0.378 1.00 0.00 N ATOM 1373 NH2 ARG A 86 0.627 -19.824 -0.446 1.00 0.00 N ATOM 0 H ARG A 86 3.128 -13.742 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 86 4.738 -15.751 -0.330 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.074 -14.880 -0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.941 -16.541 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.749 -16.938 1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.047 -15.461 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.809 -17.273 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.760 -16.528 1.678 1.00 0.00 H new ATOM 0 HE ARG A 86 2.081 -19.184 1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.012 -16.706 0.038 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.686 -17.813 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.204 -20.583 -0.083 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.003 -19.993 -1.230 1.00 0.00 H new ATOM 1387 N ASP A 87 3.162 -16.629 -3.108 1.00 0.00 N ATOM 1388 CA ASP A 87 3.169 -17.608 -4.187 1.00 0.00 C ATOM 1389 C ASP A 87 4.566 -17.720 -4.785 1.00 0.00 C ATOM 1390 O ASP A 87 5.042 -18.816 -5.075 1.00 0.00 O ATOM 1391 CB ASP A 87 2.163 -17.218 -5.272 1.00 0.00 C ATOM 1392 CG ASP A 87 1.625 -18.420 -6.024 1.00 0.00 C ATOM 1393 OD1 ASP A 87 0.686 -19.067 -5.514 1.00 0.00 O ATOM 1394 OD2 ASP A 87 2.141 -18.713 -7.122 1.00 0.00 O ATOM 0 H ASP A 87 2.507 -15.858 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 87 2.880 -18.576 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.333 -16.677 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.639 -16.536 -5.976 1.00 0.00 H new ATOM 1399 N PHE A 88 5.225 -16.576 -4.957 1.00 0.00 N ATOM 1400 CA PHE A 88 6.574 -16.549 -5.508 1.00 0.00 C ATOM 1401 C PHE A 88 7.513 -17.373 -4.632 1.00 0.00 C ATOM 1402 O PHE A 88 8.399 -18.064 -5.131 1.00 0.00 O ATOM 1403 CB PHE A 88 7.081 -15.107 -5.619 1.00 0.00 C ATOM 1404 CG PHE A 88 8.550 -15.003 -5.926 1.00 0.00 C ATOM 1405 CD1 PHE A 88 9.057 -15.487 -7.121 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.425 -14.430 -5.015 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.406 -15.401 -7.404 1.00 0.00 C ATOM 1408 CE2 PHE A 88 10.776 -14.343 -5.293 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.266 -14.829 -6.488 1.00 0.00 C ATOM 0 H PHE A 88 4.846 -15.658 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 88 6.551 -16.983 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.519 -14.593 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.877 -14.587 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.389 -15.937 -7.840 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.047 -14.048 -4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.788 -15.781 -8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.448 -13.895 -4.576 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.322 -14.762 -6.706 1.00 0.00 H new ATOM 1419 N LEU A 89 7.300 -17.300 -3.323 1.00 0.00 N ATOM 1420 CA LEU A 89 8.118 -18.047 -2.376 1.00 0.00 C ATOM 1421 C LEU A 89 7.862 -19.545 -2.509 1.00 0.00 C ATOM 1422 O LEU A 89 8.790 -20.350 -2.448 1.00 0.00 O ATOM 1423 CB LEU A 89 7.830 -17.593 -0.944 1.00 0.00 C ATOM 1424 CG LEU A 89 9.049 -17.567 -0.019 1.00 0.00 C ATOM 1425 CD1 LEU A 89 9.145 -16.231 0.701 1.00 0.00 C ATOM 1426 CD2 LEU A 89 8.985 -18.712 0.980 1.00 0.00 C ATOM 0 H LEU A 89 6.569 -16.732 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 89 9.166 -17.850 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.395 -16.594 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.079 -18.255 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 89 9.945 -17.693 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.018 -16.231 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 89 9.240 -15.429 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.246 -16.073 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.860 -18.678 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.082 -18.619 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.968 -19.661 0.445 1.00 0.00 H new ATOM 1438 N LYS A 90 6.600 -19.913 -2.702 1.00 0.00 N ATOM 1439 CA LYS A 90 6.233 -21.314 -2.858 1.00 0.00 C ATOM 1440 C LYS A 90 6.720 -21.842 -4.204 1.00 0.00 C ATOM 1441 O LYS A 90 7.151 -22.989 -4.317 1.00 0.00 O ATOM 1442 CB LYS A 90 4.717 -21.485 -2.741 1.00 0.00 C ATOM 1443 CG LYS A 90 4.191 -21.289 -1.328 1.00 0.00 C ATOM 1444 CD LYS A 90 4.145 -22.601 -0.561 1.00 0.00 C ATOM 1445 CE LYS A 90 2.750 -23.206 -0.572 1.00 0.00 C ATOM 1446 NZ LYS A 90 2.395 -23.812 0.741 1.00 0.00 N ATOM 0 H LYS A 90 5.817 -19.262 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 90 6.710 -21.887 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.227 -20.773 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.444 -22.482 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.826 -20.579 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.192 -20.855 -1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.851 -23.305 -1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.461 -22.433 0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.022 -22.435 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.691 -23.967 -1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.437 -24.213 0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.074 -24.566 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.426 -23.081 1.480 1.00 0.00 H new ATOM 1460 N SER A 91 6.641 -20.988 -5.223 1.00 0.00 N ATOM 1461 CA SER A 91 7.063 -21.341 -6.580 1.00 0.00 C ATOM 1462 C SER A 91 8.429 -22.031 -6.610 1.00 0.00 C ATOM 1463 O SER A 91 8.783 -22.658 -7.607 1.00 0.00 O ATOM 1464 CB SER A 91 7.098 -20.090 -7.459 1.00 0.00 C ATOM 1465 OG SER A 91 8.290 -19.354 -7.252 1.00 0.00 O ATOM 0 H SER A 91 6.285 -20.036 -5.134 1.00 0.00 H new ATOM 0 HA SER A 91 6.332 -22.050 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.022 -20.377 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.236 -19.461 -7.237 1.00 0.00 H new ATOM 0 HG SER A 91 8.106 -18.592 -6.663 1.00 0.00 H new