USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 800 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 ASN :FLIP amide:sc= -0.0595 F(o=-1.3!,f=-0.06) USER MOD Set 1.2: A 29 GLN : amide:sc= 0 X(o=-0.06,f=-0.43) USER MOD Set 1.3: A 107 ASN :FLIP amide:sc= 0 X(o=-0.32,f=-0.06) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -157:sc= 1.96 (180deg=1.02) USER MOD Set 2.2: A 91 GLN : amide:sc= 1.89 K(o=3.8,f=-12!) USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= 0.395 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -159:sc= -1.88 (180deg=-3.54!) USER MOD Set 4.1: A 32 GLN : amide:sc= 0.147 K(o=-0.27,f=-0.8) USER MOD Set 4.2: A 33 ASN : amide:sc= -0.421 K(o=-0.27,f=-4.3!) USER MOD Set 5.1: A 24 TYR OH : rot 22:sc= 1.02 USER MOD Set 5.2: A 49 ASN : amide:sc= 0.439 K(o=1.5,f=-2.1!) USER MOD Set 6.1: A 19 ASN : amide:sc= -0.583 K(o=-0.58,f=-3.3!) USER MOD Set 6.2: A 80 ASN : amide:sc= 0 K(o=-0.58,f=-3.3) USER MOD Set 7.1: A 12 TYR OH : rot 64:sc= 0.632 USER MOD Set 7.2: A 98 SER OG : rot 180:sc= 0.593 USER MOD Single : A 6 GLN : amide:sc= 0.344 K(o=0.34,f=-4.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 0.786 (180deg=-1.08!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.795 USER MOD Single : A 17 ASN : amide:sc= -0.0662 K(o=-0.066,f=-2!) USER MOD Single : A 18 TYR OH : rot 110:sc= -0.0179 USER MOD Single : A 21 ASN : amide:sc= -0.0403 X(o=-0.04,f=-0.34) USER MOD Single : A 22 THR OG1 : rot 160:sc= -0.209 USER MOD Single : A 27 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 35 GLN : amide:sc= 0.278 X(o=0.28,f=-0.071) USER MOD Single : A 36 THR OG1 : rot 170:sc= 0.962 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -35:sc= 0.667 USER MOD Single : A 42 ASN : amide:sc= 1.08 K(o=1.1,f=-3!) USER MOD Single : A 44 TYR OH : rot 148:sc= 0.502 USER MOD Single : A 47 SER OG : rot -150:sc= 0.202 USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= -0.105 (180deg=-1.49!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0502 K(o=-0.05,f=-6.7!) USER MOD Single : A 60 SER OG : rot 100:sc= -1.75! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 22:sc= 0.678 USER MOD Single : A 66 SER OG : rot -22:sc= 0.125 USER MOD Single : A 67 THR OG1 : rot -14:sc= 1.4 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 74 MET CE :methyl -157:sc= -0.916 (180deg=-2.24) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.532 (180deg=-1.08) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 77:sc= 0.501 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0.27 (180deg=-0.0252) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -27:sc= 0.0354 USER MOD Single : A 93 ASN : amide:sc= 0.374 K(o=0.37,f=-1.9) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 97 SER OG : rot 84:sc= -1.37! USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.104 F(o=-0.67!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -3.333 -10.824 5.355 1.00 0.00 N ATOM 73 CA GLN A 6 -2.545 -12.024 5.339 1.00 0.00 C ATOM 74 C GLN A 6 -1.074 -11.642 5.319 1.00 0.00 C ATOM 75 O GLN A 6 -0.677 -10.706 4.617 1.00 0.00 O ATOM 76 CB GLN A 6 -2.834 -12.802 4.054 1.00 0.00 C ATOM 77 CG GLN A 6 -4.311 -13.002 3.740 1.00 0.00 C ATOM 78 CD GLN A 6 -4.537 -13.686 2.404 1.00 0.00 C ATOM 79 OE1 GLN A 6 -5.525 -13.431 1.721 1.00 0.00 O ATOM 80 NE2 GLN A 6 -3.639 -14.559 2.017 1.00 0.00 N ATOM 0 HA GLN A 6 -2.784 -12.626 6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -2.368 -12.280 3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.357 -13.780 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -4.769 -13.597 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.812 -12.034 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.828 -14.751 2.605 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -3.751 -15.046 1.128 1.00 0.00 H new ATOM 89 N TYR A 7 -0.285 -12.336 6.075 1.00 0.00 N ATOM 90 CA TYR A 7 1.145 -12.157 6.059 1.00 0.00 C ATOM 91 C TYR A 7 1.800 -13.480 5.698 1.00 0.00 C ATOM 92 O TYR A 7 1.504 -14.508 6.314 1.00 0.00 O ATOM 93 CB TYR A 7 1.668 -11.572 7.400 1.00 0.00 C ATOM 94 CG TYR A 7 1.263 -12.335 8.658 1.00 0.00 C ATOM 95 CD1 TYR A 7 0.038 -12.097 9.272 1.00 0.00 C ATOM 96 CD2 TYR A 7 2.107 -13.282 9.230 1.00 0.00 C ATOM 97 CE1 TYR A 7 -0.335 -12.779 10.413 1.00 0.00 C ATOM 98 CE2 TYR A 7 1.740 -13.968 10.373 1.00 0.00 C ATOM 99 CZ TYR A 7 0.518 -13.713 10.959 1.00 0.00 C ATOM 100 OH TYR A 7 0.149 -14.393 12.098 1.00 0.00 O ATOM 0 H TYR A 7 -0.609 -13.049 6.728 1.00 0.00 H new ATOM 0 HA TYR A 7 1.412 -11.421 5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.756 -11.531 7.357 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.313 -10.545 7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.634 -11.365 8.848 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.065 -13.485 8.774 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.291 -12.581 10.875 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.407 -14.700 10.805 1.00 0.00 H new ATOM 0 HH TYR A 7 0.862 -15.016 12.352 1.00 0.00 H new ATOM 110 N LYS A 8 2.636 -13.487 4.689 1.00 0.00 N ATOM 111 CA LYS A 8 3.265 -14.723 4.277 1.00 0.00 C ATOM 112 C LYS A 8 4.626 -14.422 3.671 1.00 0.00 C ATOM 113 O LYS A 8 4.715 -13.712 2.692 1.00 0.00 O ATOM 114 CB LYS A 8 2.357 -15.415 3.229 1.00 0.00 C ATOM 115 CG LYS A 8 2.702 -16.868 2.825 1.00 0.00 C ATOM 116 CD LYS A 8 2.461 -17.884 3.960 1.00 0.00 C ATOM 117 CE LYS A 8 3.720 -18.190 4.770 1.00 0.00 C ATOM 118 NZ LYS A 8 4.710 -18.957 3.981 1.00 0.00 N ATOM 0 H LYS A 8 2.896 -12.665 4.143 1.00 0.00 H new ATOM 0 HA LYS A 8 3.401 -15.381 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.337 -15.407 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.363 -14.805 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.103 -17.150 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.747 -16.915 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.692 -17.497 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.076 -18.811 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.170 -17.257 5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.450 -18.755 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.665 -18.776 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.498 -19.973 4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.664 -18.662 2.985 1.00 0.00 H new ATOM 132 N ASP A 9 5.668 -14.959 4.300 1.00 0.00 N ATOM 133 CA ASP A 9 7.085 -14.900 3.827 1.00 0.00 C ATOM 134 C ASP A 9 7.532 -13.481 3.488 1.00 0.00 C ATOM 135 O ASP A 9 8.303 -13.268 2.569 1.00 0.00 O ATOM 136 CB ASP A 9 7.285 -15.813 2.602 1.00 0.00 C ATOM 137 CG ASP A 9 6.764 -17.200 2.838 1.00 0.00 C ATOM 138 OD1 ASP A 9 7.125 -17.839 3.859 1.00 0.00 O ATOM 139 OD2 ASP A 9 5.862 -17.643 2.089 1.00 0.00 O ATOM 0 H ASP A 9 5.568 -15.466 5.179 1.00 0.00 H new ATOM 0 HA ASP A 9 7.704 -15.251 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.778 -15.378 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.346 -15.862 2.357 1.00 0.00 H new ATOM 144 N GLY A 10 7.089 -12.522 4.270 1.00 0.00 N ATOM 145 CA GLY A 10 7.471 -11.154 4.032 1.00 0.00 C ATOM 146 C GLY A 10 6.401 -10.375 3.302 1.00 0.00 C ATOM 147 O GLY A 10 6.314 -9.152 3.450 1.00 0.00 O ATOM 0 H GLY A 10 6.470 -12.665 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.684 -10.668 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.392 -11.133 3.450 1.00 0.00 H new ATOM 151 N TYR A 11 5.595 -11.073 2.515 1.00 0.00 N ATOM 152 CA TYR A 11 4.501 -10.451 1.795 1.00 0.00 C ATOM 153 C TYR A 11 3.403 -10.085 2.752 1.00 0.00 C ATOM 154 O TYR A 11 3.070 -10.857 3.671 1.00 0.00 O ATOM 155 CB TYR A 11 3.900 -11.368 0.714 1.00 0.00 C ATOM 156 CG TYR A 11 4.766 -11.640 -0.491 1.00 0.00 C ATOM 157 CD1 TYR A 11 4.889 -10.693 -1.499 1.00 0.00 C ATOM 158 CD2 TYR A 11 5.423 -12.853 -0.646 1.00 0.00 C ATOM 159 CE1 TYR A 11 5.644 -10.941 -2.625 1.00 0.00 C ATOM 160 CE2 TYR A 11 6.186 -13.110 -1.769 1.00 0.00 C ATOM 161 CZ TYR A 11 6.290 -12.149 -2.757 1.00 0.00 C ATOM 162 OH TYR A 11 7.049 -12.397 -3.877 1.00 0.00 O ATOM 0 H TYR A 11 5.682 -12.077 2.360 1.00 0.00 H new ATOM 0 HA TYR A 11 4.916 -9.569 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.649 -12.322 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.966 -10.924 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.383 -9.744 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.337 -13.607 0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.728 -10.192 -3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.698 -14.055 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 11 7.439 -13.294 -3.816 1.00 0.00 H new ATOM 172 N TYR A 12 2.864 -8.930 2.560 1.00 0.00 N ATOM 173 CA TYR A 12 1.769 -8.470 3.335 1.00 0.00 C ATOM 174 C TYR A 12 0.658 -8.234 2.330 1.00 0.00 C ATOM 175 O TYR A 12 0.810 -7.436 1.413 1.00 0.00 O ATOM 176 CB TYR A 12 2.173 -7.172 4.043 1.00 0.00 C ATOM 177 CG TYR A 12 1.373 -6.824 5.280 1.00 0.00 C ATOM 178 CD1 TYR A 12 1.744 -7.336 6.518 1.00 0.00 C ATOM 179 CD2 TYR A 12 0.281 -5.968 5.229 1.00 0.00 C ATOM 180 CE1 TYR A 12 1.056 -7.011 7.667 1.00 0.00 C ATOM 181 CE2 TYR A 12 -0.417 -5.642 6.379 1.00 0.00 C ATOM 182 CZ TYR A 12 -0.023 -6.164 7.594 1.00 0.00 C ATOM 183 OH TYR A 12 -0.709 -5.828 8.741 1.00 0.00 O ATOM 0 H TYR A 12 3.178 -8.270 1.848 1.00 0.00 H new ATOM 0 HA TYR A 12 1.455 -9.172 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.225 -7.243 4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.086 -6.350 3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.591 -8.004 6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.027 -5.552 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.363 -7.419 8.618 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.269 -4.980 6.325 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.115 -5.334 9.345 1.00 0.00 H new ATOM 193 N ILE A 13 -0.398 -8.962 2.438 1.00 0.00 N ATOM 194 CA ILE A 13 -1.468 -8.868 1.473 1.00 0.00 C ATOM 195 C ILE A 13 -2.746 -8.654 2.237 1.00 0.00 C ATOM 196 O ILE A 13 -2.950 -9.293 3.238 1.00 0.00 O ATOM 197 CB ILE A 13 -1.582 -10.182 0.636 1.00 0.00 C ATOM 198 CG1 ILE A 13 -0.205 -10.599 0.082 1.00 0.00 C ATOM 199 CG2 ILE A 13 -2.557 -9.983 -0.519 1.00 0.00 C ATOM 200 CD1 ILE A 13 -0.201 -11.943 -0.620 1.00 0.00 C ATOM 0 H ILE A 13 -0.556 -9.637 3.186 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.273 -8.046 0.784 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.950 -10.972 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.140 -9.836 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.511 -10.628 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.630 -10.904 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.540 -9.723 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.200 -9.179 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.804 -12.162 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.514 -12.719 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.891 -11.915 -1.464 1.00 0.00 H new ATOM 212 N THR A 14 -3.586 -7.770 1.803 1.00 0.00 N ATOM 213 CA THR A 14 -4.792 -7.523 2.536 1.00 0.00 C ATOM 214 C THR A 14 -5.882 -7.012 1.619 1.00 0.00 C ATOM 215 O THR A 14 -5.622 -6.614 0.486 1.00 0.00 O ATOM 216 CB THR A 14 -4.543 -6.510 3.711 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.721 -6.364 4.538 1.00 0.00 O ATOM 218 CG2 THR A 14 -4.132 -5.143 3.182 1.00 0.00 C ATOM 0 H THR A 14 -3.465 -7.213 0.957 1.00 0.00 H new ATOM 0 HA THR A 14 -5.119 -8.469 2.968 1.00 0.00 H new ATOM 0 HB THR A 14 -3.733 -6.918 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.536 -5.729 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.967 -4.464 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.212 -5.238 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.922 -4.747 2.544 1.00 0.00 H new ATOM 226 N THR A 15 -7.079 -7.060 2.088 1.00 0.00 N ATOM 227 CA THR A 15 -8.182 -6.495 1.414 1.00 0.00 C ATOM 228 C THR A 15 -8.637 -5.375 2.301 1.00 0.00 C ATOM 229 O THR A 15 -8.485 -5.466 3.524 1.00 0.00 O ATOM 230 CB THR A 15 -9.333 -7.516 1.262 1.00 0.00 C ATOM 231 OG1 THR A 15 -8.825 -8.746 0.731 1.00 0.00 O ATOM 232 CG2 THR A 15 -10.421 -6.991 0.328 1.00 0.00 C ATOM 0 H THR A 15 -7.319 -7.506 2.974 1.00 0.00 H new ATOM 0 HA THR A 15 -7.907 -6.171 0.410 1.00 0.00 H new ATOM 0 HB THR A 15 -9.765 -7.679 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.558 -9.390 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.216 -7.732 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.831 -6.065 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.994 -6.801 -0.657 1.00 0.00 H new ATOM 240 N LEU A 16 -9.058 -4.314 1.738 1.00 0.00 N ATOM 241 CA LEU A 16 -9.595 -3.269 2.507 1.00 0.00 C ATOM 242 C LEU A 16 -10.984 -3.034 2.014 1.00 0.00 C ATOM 243 O LEU A 16 -11.188 -2.800 0.816 1.00 0.00 O ATOM 244 CB LEU A 16 -8.753 -2.010 2.383 1.00 0.00 C ATOM 245 CG LEU A 16 -9.049 -0.916 3.403 1.00 0.00 C ATOM 246 CD1 LEU A 16 -8.910 -1.465 4.821 1.00 0.00 C ATOM 247 CD2 LEU A 16 -8.105 0.249 3.200 1.00 0.00 C ATOM 0 H LEU A 16 -9.040 -4.145 0.732 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.601 -3.535 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.702 -2.287 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.893 -1.598 1.384 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.073 -0.570 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.124 -0.674 5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.613 -2.285 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.893 -1.828 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.323 1.026 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.077 -0.090 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.234 0.651 2.195 1.00 0.00 H new ATOM 259 N ASN A 17 -11.935 -3.130 2.898 1.00 0.00 N ATOM 260 CA ASN A 17 -13.326 -2.968 2.524 1.00 0.00 C ATOM 261 C ASN A 17 -13.700 -1.512 2.485 1.00 0.00 C ATOM 262 O ASN A 17 -14.405 -1.011 3.357 1.00 0.00 O ATOM 263 CB ASN A 17 -14.292 -3.764 3.435 1.00 0.00 C ATOM 264 CG ASN A 17 -14.095 -5.279 3.377 1.00 0.00 C ATOM 265 OD1 ASN A 17 -12.993 -5.776 3.177 1.00 0.00 O ATOM 266 ND2 ASN A 17 -15.161 -6.019 3.559 1.00 0.00 N ATOM 0 H ASN A 17 -11.780 -3.320 3.888 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.432 -3.386 1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -14.162 -3.430 4.464 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -15.318 -3.530 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.086 -7.036 3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -16.066 -5.578 3.724 1.00 0.00 H new ATOM 273 N TYR A 18 -13.111 -0.834 1.534 1.00 0.00 N ATOM 274 CA TYR A 18 -13.350 0.556 1.243 1.00 0.00 C ATOM 275 C TYR A 18 -13.121 0.775 -0.227 1.00 0.00 C ATOM 276 O TYR A 18 -12.406 -0.021 -0.877 1.00 0.00 O ATOM 277 CB TYR A 18 -12.469 1.512 2.075 1.00 0.00 C ATOM 278 CG TYR A 18 -12.944 1.734 3.502 1.00 0.00 C ATOM 279 CD1 TYR A 18 -14.077 2.504 3.754 1.00 0.00 C ATOM 280 CD2 TYR A 18 -12.269 1.189 4.591 1.00 0.00 C ATOM 281 CE1 TYR A 18 -14.525 2.726 5.041 1.00 0.00 C ATOM 282 CE2 TYR A 18 -12.713 1.408 5.885 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.844 2.177 6.102 1.00 0.00 C ATOM 284 OH TYR A 18 -14.288 2.406 7.394 1.00 0.00 O ATOM 0 H TYR A 18 -12.420 -1.255 0.913 1.00 0.00 H new ATOM 0 HA TYR A 18 -14.379 0.788 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.453 1.117 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.423 2.476 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.617 2.937 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.388 0.588 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -15.405 3.327 5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.179 0.981 6.721 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.655 1.577 7.765 1.00 0.00 H new ATOM 294 N ASN A 19 -13.691 1.834 -0.745 1.00 0.00 N ATOM 295 CA ASN A 19 -13.662 2.117 -2.154 1.00 0.00 C ATOM 296 C ASN A 19 -12.285 2.458 -2.647 1.00 0.00 C ATOM 297 O ASN A 19 -11.570 3.257 -2.046 1.00 0.00 O ATOM 298 CB ASN A 19 -14.659 3.218 -2.545 1.00 0.00 C ATOM 299 CG ASN A 19 -16.114 2.795 -2.399 1.00 0.00 C ATOM 300 OD1 ASN A 19 -16.463 2.045 -1.518 1.00 0.00 O ATOM 301 ND2 ASN A 19 -16.959 3.260 -3.284 1.00 0.00 N ATOM 0 H ASN A 19 -14.193 2.530 -0.193 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.968 1.193 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.480 4.097 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.476 3.513 -3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.942 2.991 -3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.635 3.892 -4.016 1.00 0.00 H new ATOM 308 N PHE A 20 -11.951 1.873 -3.770 1.00 0.00 N ATOM 309 CA PHE A 20 -10.663 2.020 -4.448 1.00 0.00 C ATOM 310 C PHE A 20 -10.230 3.487 -4.603 1.00 0.00 C ATOM 311 O PHE A 20 -9.049 3.806 -4.472 1.00 0.00 O ATOM 312 CB PHE A 20 -10.797 1.307 -5.797 1.00 0.00 C ATOM 313 CG PHE A 20 -9.694 1.488 -6.795 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.525 0.759 -6.703 1.00 0.00 C ATOM 315 CD2 PHE A 20 -9.863 2.349 -7.869 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.546 0.886 -7.657 1.00 0.00 C ATOM 317 CE2 PHE A 20 -8.883 2.487 -8.821 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.727 1.754 -8.718 1.00 0.00 C ATOM 0 H PHE A 20 -12.589 1.252 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.870 1.571 -3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -10.901 0.240 -5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -11.726 1.639 -6.261 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.380 0.083 -5.873 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.777 2.918 -7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.636 0.309 -7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.021 3.169 -9.647 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.957 1.856 -9.468 1.00 0.00 H new ATOM 328 N ASN A 21 -11.195 4.367 -4.823 1.00 0.00 N ATOM 329 CA ASN A 21 -10.924 5.794 -5.002 1.00 0.00 C ATOM 330 C ASN A 21 -10.301 6.387 -3.738 1.00 0.00 C ATOM 331 O ASN A 21 -9.257 7.036 -3.795 1.00 0.00 O ATOM 332 CB ASN A 21 -12.228 6.545 -5.303 1.00 0.00 C ATOM 333 CG ASN A 21 -12.991 5.963 -6.472 1.00 0.00 C ATOM 334 OD1 ASN A 21 -13.803 5.061 -6.294 1.00 0.00 O ATOM 335 ND2 ASN A 21 -12.753 6.466 -7.656 1.00 0.00 N ATOM 0 H ASN A 21 -12.183 4.119 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.230 5.902 -5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.863 6.528 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.999 7.590 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.250 6.108 -8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.070 7.216 -7.764 1.00 0.00 H new ATOM 342 N THR A 22 -10.926 6.130 -2.596 1.00 0.00 N ATOM 343 CA THR A 22 -10.433 6.645 -1.342 1.00 0.00 C ATOM 344 C THR A 22 -9.141 5.930 -0.925 1.00 0.00 C ATOM 345 O THR A 22 -8.228 6.559 -0.383 1.00 0.00 O ATOM 346 CB THR A 22 -11.521 6.686 -0.199 1.00 0.00 C ATOM 347 OG1 THR A 22 -10.990 7.280 0.990 1.00 0.00 O ATOM 348 CG2 THR A 22 -12.072 5.310 0.133 1.00 0.00 C ATOM 0 H THR A 22 -11.774 5.568 -2.521 1.00 0.00 H new ATOM 0 HA THR A 22 -10.184 7.693 -1.508 1.00 0.00 H new ATOM 0 HB THR A 22 -12.341 7.294 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.726 7.588 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.816 5.397 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.536 4.880 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.260 4.664 0.467 1.00 0.00 H new ATOM 356 N VAL A 23 -9.063 4.622 -1.207 1.00 0.00 N ATOM 357 CA VAL A 23 -7.878 3.831 -0.878 1.00 0.00 C ATOM 358 C VAL A 23 -6.650 4.364 -1.615 1.00 0.00 C ATOM 359 O VAL A 23 -5.590 4.540 -1.007 1.00 0.00 O ATOM 360 CB VAL A 23 -8.072 2.317 -1.176 1.00 0.00 C ATOM 361 CG1 VAL A 23 -6.824 1.523 -0.818 1.00 0.00 C ATOM 362 CG2 VAL A 23 -9.265 1.771 -0.409 1.00 0.00 C ATOM 0 H VAL A 23 -9.808 4.094 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.721 3.931 0.196 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.255 2.211 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.989 0.468 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.980 1.888 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.608 1.644 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.385 0.710 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.101 1.902 0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.166 2.308 -0.707 1.00 0.00 H new ATOM 372 N TYR A 24 -6.806 4.661 -2.908 1.00 0.00 N ATOM 373 CA TYR A 24 -5.721 5.241 -3.698 1.00 0.00 C ATOM 374 C TYR A 24 -5.257 6.553 -3.082 1.00 0.00 C ATOM 375 O TYR A 24 -4.058 6.782 -2.906 1.00 0.00 O ATOM 376 CB TYR A 24 -6.154 5.471 -5.169 1.00 0.00 C ATOM 377 CG TYR A 24 -5.138 6.269 -5.984 1.00 0.00 C ATOM 378 CD1 TYR A 24 -3.957 5.692 -6.415 1.00 0.00 C ATOM 379 CD2 TYR A 24 -5.360 7.608 -6.296 1.00 0.00 C ATOM 380 CE1 TYR A 24 -3.020 6.412 -7.121 1.00 0.00 C ATOM 381 CE2 TYR A 24 -4.430 8.336 -7.010 1.00 0.00 C ATOM 382 CZ TYR A 24 -3.260 7.730 -7.417 1.00 0.00 C ATOM 383 OH TYR A 24 -2.321 8.452 -8.109 1.00 0.00 O ATOM 0 H TYR A 24 -7.671 4.509 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.893 4.532 -3.694 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.314 4.505 -5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.110 5.995 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.766 4.653 -6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.274 8.084 -5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.101 5.942 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.617 9.373 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.738 7.840 -8.605 1.00 0.00 H new ATOM 393 N ASN A 25 -6.222 7.379 -2.728 1.00 0.00 N ATOM 394 CA ASN A 25 -5.972 8.700 -2.162 1.00 0.00 C ATOM 395 C ASN A 25 -5.178 8.568 -0.863 1.00 0.00 C ATOM 396 O ASN A 25 -4.151 9.224 -0.687 1.00 0.00 O ATOM 397 CB ASN A 25 -7.322 9.389 -1.886 1.00 0.00 C ATOM 398 CG ASN A 25 -7.260 10.909 -1.624 1.00 0.00 C ATOM 399 OD1 ASN A 25 -6.201 11.408 -1.034 1.00 0.00 O flip ATOM 400 ND2 ASN A 25 -8.195 11.622 -1.944 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.212 7.155 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.393 9.298 -2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.979 9.213 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.783 8.909 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.011 11.217 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.161 12.623 -1.754 1.00 0.00 H new ATOM 407 N ALA A 26 -5.647 7.696 0.008 1.00 0.00 N ATOM 408 CA ALA A 26 -5.036 7.472 1.319 1.00 0.00 C ATOM 409 C ALA A 26 -3.628 6.887 1.204 1.00 0.00 C ATOM 410 O ALA A 26 -2.698 7.357 1.858 1.00 0.00 O ATOM 411 CB ALA A 26 -5.916 6.560 2.149 1.00 0.00 C ATOM 0 H ALA A 26 -6.467 7.116 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.946 8.440 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.455 6.398 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.894 7.021 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.033 5.604 1.639 1.00 0.00 H new ATOM 417 N THR A 27 -3.483 5.883 0.365 1.00 0.00 N ATOM 418 CA THR A 27 -2.208 5.226 0.131 1.00 0.00 C ATOM 419 C THR A 27 -1.186 6.207 -0.434 1.00 0.00 C ATOM 420 O THR A 27 -0.015 6.205 -0.023 1.00 0.00 O ATOM 421 CB THR A 27 -2.389 4.046 -0.841 1.00 0.00 C ATOM 422 OG1 THR A 27 -3.374 3.155 -0.312 1.00 0.00 O ATOM 423 CG2 THR A 27 -1.082 3.294 -1.052 1.00 0.00 C ATOM 0 H THR A 27 -4.252 5.494 -0.180 1.00 0.00 H new ATOM 0 HA THR A 27 -1.839 4.852 1.086 1.00 0.00 H new ATOM 0 HB THR A 27 -2.710 4.438 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.263 3.432 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.245 2.467 -1.743 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.335 3.971 -1.466 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.728 2.904 -0.098 1.00 0.00 H new ATOM 431 N LEU A 28 -1.641 7.067 -1.338 1.00 0.00 N ATOM 432 CA LEU A 28 -0.785 8.056 -1.936 1.00 0.00 C ATOM 433 C LEU A 28 -0.268 8.984 -0.852 1.00 0.00 C ATOM 434 O LEU A 28 0.920 9.138 -0.696 1.00 0.00 O ATOM 435 CB LEU A 28 -1.554 8.842 -3.004 1.00 0.00 C ATOM 436 CG LEU A 28 -0.775 9.926 -3.743 1.00 0.00 C ATOM 437 CD1 LEU A 28 0.396 9.324 -4.507 1.00 0.00 C ATOM 438 CD2 LEU A 28 -1.692 10.694 -4.680 1.00 0.00 C ATOM 0 H LEU A 28 -2.606 7.090 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 28 0.061 7.568 -2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.936 8.134 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.419 9.306 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.375 10.623 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.937 10.115 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.067 8.823 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.024 8.602 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.120 11.463 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.124 10.009 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.491 11.162 -4.105 1.00 0.00 H new ATOM 450 N GLN A 29 -1.181 9.503 -0.056 1.00 0.00 N ATOM 451 CA GLN A 29 -0.865 10.384 1.070 1.00 0.00 C ATOM 452 C GLN A 29 0.126 9.740 2.029 1.00 0.00 C ATOM 453 O GLN A 29 1.097 10.369 2.434 1.00 0.00 O ATOM 454 CB GLN A 29 -2.129 10.729 1.852 1.00 0.00 C ATOM 455 CG GLN A 29 -3.129 11.580 1.110 1.00 0.00 C ATOM 456 CD GLN A 29 -4.402 11.771 1.909 1.00 0.00 C ATOM 457 OE1 GLN A 29 -5.349 11.010 1.775 1.00 0.00 O ATOM 458 NE2 GLN A 29 -4.425 12.763 2.761 1.00 0.00 N ATOM 0 H GLN A 29 -2.180 9.327 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.421 11.286 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.616 9.801 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.841 11.248 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.688 12.552 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.366 11.114 0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.617 13.380 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.251 12.920 3.339 1.00 0.00 H new ATOM 467 N ALA A 30 -0.107 8.479 2.351 1.00 0.00 N ATOM 468 CA ALA A 30 0.707 7.763 3.314 1.00 0.00 C ATOM 469 C ALA A 30 2.183 7.725 2.918 1.00 0.00 C ATOM 470 O ALA A 30 3.061 8.034 3.736 1.00 0.00 O ATOM 471 CB ALA A 30 0.176 6.351 3.492 1.00 0.00 C ATOM 0 H ALA A 30 -0.865 7.925 1.952 1.00 0.00 H new ATOM 0 HA ALA A 30 0.643 8.303 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.792 5.819 4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.852 6.392 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.207 5.828 2.536 1.00 0.00 H new ATOM 477 N ILE A 31 2.454 7.375 1.681 1.00 0.00 N ATOM 478 CA ILE A 31 3.825 7.290 1.227 1.00 0.00 C ATOM 479 C ILE A 31 4.372 8.640 0.707 1.00 0.00 C ATOM 480 O ILE A 31 5.441 9.067 1.102 1.00 0.00 O ATOM 481 CB ILE A 31 4.031 6.137 0.196 1.00 0.00 C ATOM 482 CG1 ILE A 31 5.475 6.071 -0.291 1.00 0.00 C ATOM 483 CG2 ILE A 31 3.062 6.219 -0.980 1.00 0.00 C ATOM 484 CD1 ILE A 31 5.706 4.990 -1.310 1.00 0.00 C ATOM 0 H ILE A 31 1.752 7.147 0.977 1.00 0.00 H new ATOM 0 HA ILE A 31 4.420 7.042 2.106 1.00 0.00 H new ATOM 0 HB ILE A 31 3.809 5.211 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.751 7.033 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.132 5.904 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.251 5.393 -1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.038 6.159 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.205 7.164 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.752 4.996 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.460 4.021 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.073 5.168 -2.179 1.00 0.00 H new ATOM 496 N GLN A 32 3.581 9.326 -0.093 1.00 0.00 N ATOM 497 CA GLN A 32 3.984 10.573 -0.753 1.00 0.00 C ATOM 498 C GLN A 32 4.147 11.726 0.234 1.00 0.00 C ATOM 499 O GLN A 32 5.059 12.529 0.124 1.00 0.00 O ATOM 500 CB GLN A 32 2.935 10.931 -1.813 1.00 0.00 C ATOM 501 CG GLN A 32 3.062 12.303 -2.405 1.00 0.00 C ATOM 502 CD GLN A 32 1.899 12.653 -3.298 1.00 0.00 C ATOM 503 OE1 GLN A 32 1.921 12.418 -4.496 1.00 0.00 O ATOM 504 NE2 GLN A 32 0.853 13.190 -2.709 1.00 0.00 N ATOM 0 H GLN A 32 2.627 9.038 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 32 4.958 10.414 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.993 10.199 -2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.945 10.836 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.134 13.037 -1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.988 12.365 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.870 13.372 -1.706 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.024 13.424 -3.256 1.00 0.00 H new ATOM 513 N ASN A 33 3.277 11.794 1.205 1.00 0.00 N ATOM 514 CA ASN A 33 3.293 12.905 2.142 1.00 0.00 C ATOM 515 C ASN A 33 4.061 12.566 3.394 1.00 0.00 C ATOM 516 O ASN A 33 3.975 13.282 4.392 1.00 0.00 O ATOM 517 CB ASN A 33 1.873 13.364 2.473 1.00 0.00 C ATOM 518 CG ASN A 33 1.180 14.038 1.293 1.00 0.00 C ATOM 519 OD1 ASN A 33 0.534 13.390 0.466 1.00 0.00 O ATOM 520 ND2 ASN A 33 1.301 15.343 1.207 1.00 0.00 N ATOM 0 H ASN A 33 2.548 11.101 1.375 1.00 0.00 H new ATOM 0 HA ASN A 33 3.811 13.733 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.283 12.505 2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.907 14.057 3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.854 15.847 0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.842 15.852 1.906 1.00 0.00 H new ATOM 527 N GLY A 34 4.807 11.473 3.323 1.00 0.00 N ATOM 528 CA GLY A 34 5.677 11.049 4.407 1.00 0.00 C ATOM 529 C GLY A 34 4.950 10.852 5.711 1.00 0.00 C ATOM 530 O GLY A 34 5.307 11.437 6.720 1.00 0.00 O ATOM 0 H GLY A 34 4.825 10.856 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.166 10.116 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.462 11.792 4.545 1.00 0.00 H new ATOM 534 N GLN A 35 3.929 10.027 5.696 1.00 0.00 N ATOM 535 CA GLN A 35 3.148 9.789 6.901 1.00 0.00 C ATOM 536 C GLN A 35 3.737 8.631 7.692 1.00 0.00 C ATOM 537 O GLN A 35 3.228 8.246 8.739 1.00 0.00 O ATOM 538 CB GLN A 35 1.685 9.527 6.552 1.00 0.00 C ATOM 539 CG GLN A 35 1.006 10.682 5.814 1.00 0.00 C ATOM 540 CD GLN A 35 0.956 11.968 6.631 1.00 0.00 C ATOM 541 OE1 GLN A 35 0.014 12.206 7.365 1.00 0.00 O ATOM 542 NE2 GLN A 35 1.958 12.807 6.498 1.00 0.00 N ATOM 0 H GLN A 35 3.617 9.511 4.874 1.00 0.00 H new ATOM 0 HA GLN A 35 3.188 10.683 7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.624 8.630 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.134 9.322 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.538 10.872 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.009 10.388 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.734 12.580 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.960 13.685 7.017 1.00 0.00 H new ATOM 551 N THR A 36 4.801 8.078 7.179 1.00 0.00 N ATOM 552 CA THR A 36 5.483 7.019 7.826 1.00 0.00 C ATOM 553 C THR A 36 6.965 7.095 7.476 1.00 0.00 C ATOM 554 O THR A 36 7.337 7.261 6.312 1.00 0.00 O ATOM 555 CB THR A 36 4.865 5.613 7.473 1.00 0.00 C ATOM 556 OG1 THR A 36 5.509 4.551 8.218 1.00 0.00 O ATOM 557 CG2 THR A 36 4.932 5.305 5.973 1.00 0.00 C ATOM 0 H THR A 36 5.214 8.361 6.290 1.00 0.00 H new ATOM 0 HA THR A 36 5.367 7.131 8.904 1.00 0.00 H new ATOM 0 HB THR A 36 3.815 5.663 7.760 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.005 3.719 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.494 4.325 5.783 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.378 6.064 5.421 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.972 5.306 5.647 1.00 0.00 H new ATOM 565 N PHE A 37 7.790 7.048 8.483 1.00 0.00 N ATOM 566 CA PHE A 37 9.215 7.057 8.304 1.00 0.00 C ATOM 567 C PHE A 37 9.751 5.793 8.902 1.00 0.00 C ATOM 568 O PHE A 37 9.130 5.229 9.820 1.00 0.00 O ATOM 569 CB PHE A 37 9.868 8.266 9.002 1.00 0.00 C ATOM 570 CG PHE A 37 9.422 9.611 8.493 1.00 0.00 C ATOM 571 CD1 PHE A 37 10.058 10.201 7.415 1.00 0.00 C ATOM 572 CD2 PHE A 37 8.373 10.288 9.100 1.00 0.00 C ATOM 573 CE1 PHE A 37 9.659 11.439 6.949 1.00 0.00 C ATOM 574 CE2 PHE A 37 7.971 11.526 8.638 1.00 0.00 C ATOM 575 CZ PHE A 37 8.614 12.102 7.561 1.00 0.00 C ATOM 0 H PHE A 37 7.492 7.002 9.457 1.00 0.00 H new ATOM 0 HA PHE A 37 9.444 7.129 7.241 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.655 8.209 10.069 1.00 0.00 H new ATOM 0 HB3 PHE A 37 10.950 8.192 8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.876 9.688 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 37 7.866 9.842 9.943 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.164 11.888 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.154 12.043 9.119 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.300 13.069 7.198 1.00 0.00 H new ATOM 585 N ASP A 38 10.843 5.321 8.387 1.00 0.00 N ATOM 586 CA ASP A 38 11.465 4.137 8.924 1.00 0.00 C ATOM 587 C ASP A 38 12.638 4.558 9.783 1.00 0.00 C ATOM 588 O ASP A 38 13.085 5.705 9.691 1.00 0.00 O ATOM 589 CB ASP A 38 11.924 3.185 7.809 1.00 0.00 C ATOM 590 CG ASP A 38 12.445 1.874 8.365 1.00 0.00 C ATOM 591 OD1 ASP A 38 11.614 1.018 8.752 1.00 0.00 O ATOM 592 OD2 ASP A 38 13.676 1.729 8.492 1.00 0.00 O ATOM 0 H ASP A 38 11.329 5.735 7.592 1.00 0.00 H new ATOM 0 HA ASP A 38 10.737 3.593 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.091 2.988 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.705 3.666 7.220 1.00 0.00 H new ATOM 597 N TYR A 39 13.149 3.646 10.579 1.00 0.00 N ATOM 598 CA TYR A 39 14.252 3.907 11.468 1.00 0.00 C ATOM 599 C TYR A 39 15.520 4.218 10.669 1.00 0.00 C ATOM 600 O TYR A 39 16.390 4.945 11.137 1.00 0.00 O ATOM 601 CB TYR A 39 14.467 2.695 12.397 1.00 0.00 C ATOM 602 CG TYR A 39 15.574 2.861 13.427 1.00 0.00 C ATOM 603 CD1 TYR A 39 15.373 3.622 14.573 1.00 0.00 C ATOM 604 CD2 TYR A 39 16.816 2.257 13.252 1.00 0.00 C ATOM 605 CE1 TYR A 39 16.375 3.777 15.513 1.00 0.00 C ATOM 606 CE2 TYR A 39 17.821 2.407 14.188 1.00 0.00 C ATOM 607 CZ TYR A 39 17.595 3.167 15.316 1.00 0.00 C ATOM 608 OH TYR A 39 18.594 3.318 16.252 1.00 0.00 O ATOM 0 H TYR A 39 12.802 2.688 10.626 1.00 0.00 H new ATOM 0 HA TYR A 39 14.021 4.779 12.080 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.533 2.487 12.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.690 1.822 11.784 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.418 4.100 14.732 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.997 1.661 12.370 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.203 4.373 16.397 1.00 0.00 H new ATOM 0 HE2 TYR A 39 18.779 1.931 14.037 1.00 0.00 H new ATOM 0 HH TYR A 39 19.390 2.824 15.964 1.00 0.00 H new ATOM 618 N LYS A 40 15.613 3.693 9.450 1.00 0.00 N ATOM 619 CA LYS A 40 16.798 3.947 8.651 1.00 0.00 C ATOM 620 C LYS A 40 16.611 5.186 7.745 1.00 0.00 C ATOM 621 O LYS A 40 17.504 5.517 6.969 1.00 0.00 O ATOM 622 CB LYS A 40 17.110 2.722 7.781 1.00 0.00 C ATOM 623 CG LYS A 40 16.093 2.503 6.670 1.00 0.00 C ATOM 624 CD LYS A 40 16.394 1.279 5.827 1.00 0.00 C ATOM 625 CE LYS A 40 16.063 -0.011 6.550 1.00 0.00 C ATOM 626 NZ LYS A 40 16.403 -1.176 5.719 1.00 0.00 N ATOM 0 H LYS A 40 14.904 3.108 9.008 1.00 0.00 H new ATOM 0 HA LYS A 40 17.627 4.141 9.331 1.00 0.00 H new ATOM 0 HB2 LYS A 40 18.100 2.839 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.145 1.835 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.100 2.401 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.069 3.383 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.824 1.330 4.899 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.449 1.279 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.611 -0.057 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.002 -0.032 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.842 -1.996 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.193 -0.965 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.415 -1.392 5.821 1.00 0.00 H new ATOM 640 N SER A 41 15.453 5.867 7.882 1.00 0.00 N ATOM 641 CA SER A 41 15.137 7.106 7.139 1.00 0.00 C ATOM 642 C SER A 41 15.316 6.933 5.593 1.00 0.00 C ATOM 643 O SER A 41 15.657 7.889 4.882 1.00 0.00 O ATOM 644 CB SER A 41 16.005 8.264 7.688 1.00 0.00 C ATOM 645 OG SER A 41 15.682 9.502 7.077 1.00 0.00 O ATOM 0 H SER A 41 14.708 5.572 8.513 1.00 0.00 H new ATOM 0 HA SER A 41 14.084 7.343 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.865 8.344 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.058 8.040 7.519 1.00 0.00 H new ATOM 0 HG SER A 41 15.440 9.351 6.139 1.00 0.00 H new ATOM 651 N ASN A 42 14.998 5.753 5.094 1.00 0.00 N ATOM 652 CA ASN A 42 15.226 5.398 3.686 1.00 0.00 C ATOM 653 C ASN A 42 14.264 6.109 2.721 1.00 0.00 C ATOM 654 O ASN A 42 13.116 6.410 3.080 1.00 0.00 O ATOM 655 CB ASN A 42 15.172 3.865 3.478 1.00 0.00 C ATOM 656 CG ASN A 42 13.820 3.220 3.809 1.00 0.00 C ATOM 657 OD1 ASN A 42 13.045 3.722 4.621 1.00 0.00 O ATOM 658 ND2 ASN A 42 13.584 2.063 3.263 1.00 0.00 N ATOM 0 H ASN A 42 14.574 5.007 5.645 1.00 0.00 H new ATOM 0 HA ASN A 42 16.229 5.750 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 42 15.420 3.644 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.941 3.401 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.738 1.548 3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.245 1.671 2.592 1.00 0.00 H new ATOM 665 N PRO A 43 14.752 6.456 1.500 1.00 0.00 N ATOM 666 CA PRO A 43 13.936 7.065 0.449 1.00 0.00 C ATOM 667 C PRO A 43 12.719 6.213 0.071 1.00 0.00 C ATOM 668 O PRO A 43 12.826 5.125 -0.491 1.00 0.00 O ATOM 669 CB PRO A 43 14.898 7.204 -0.730 1.00 0.00 C ATOM 670 CG PRO A 43 16.231 7.273 -0.092 1.00 0.00 C ATOM 671 CD PRO A 43 16.160 6.328 1.064 1.00 0.00 C ATOM 0 HA PRO A 43 13.512 8.015 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.823 6.355 -1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.687 8.100 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 43 17.017 6.984 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.457 8.286 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.401 5.307 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.856 6.604 1.856 1.00 0.00 H new ATOM 679 N TYR A 44 11.589 6.727 0.436 1.00 0.00 N ATOM 680 CA TYR A 44 10.295 6.124 0.227 1.00 0.00 C ATOM 681 C TYR A 44 9.593 6.662 -1.016 1.00 0.00 C ATOM 682 O TYR A 44 8.524 6.204 -1.366 1.00 0.00 O ATOM 683 CB TYR A 44 9.408 6.256 1.485 1.00 0.00 C ATOM 684 CG TYR A 44 9.335 7.659 2.070 1.00 0.00 C ATOM 685 CD1 TYR A 44 8.534 8.638 1.503 1.00 0.00 C ATOM 686 CD2 TYR A 44 10.078 7.994 3.196 1.00 0.00 C ATOM 687 CE1 TYR A 44 8.472 9.909 2.037 1.00 0.00 C ATOM 688 CE2 TYR A 44 10.021 9.261 3.735 1.00 0.00 C ATOM 689 CZ TYR A 44 9.218 10.214 3.153 1.00 0.00 C ATOM 690 OH TYR A 44 9.161 11.478 3.687 1.00 0.00 O ATOM 0 H TYR A 44 11.532 7.626 0.914 1.00 0.00 H new ATOM 0 HA TYR A 44 10.465 5.062 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.399 5.928 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.784 5.577 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.948 8.402 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 44 10.710 7.249 3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.842 10.659 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 44 10.604 9.505 4.611 1.00 0.00 H new ATOM 0 HH TYR A 44 9.283 11.429 4.658 1.00 0.00 H new ATOM 700 N ASP A 45 10.210 7.601 -1.697 1.00 0.00 N ATOM 701 CA ASP A 45 9.503 8.381 -2.714 1.00 0.00 C ATOM 702 C ASP A 45 9.312 7.605 -4.026 1.00 0.00 C ATOM 703 O ASP A 45 10.116 6.737 -4.407 1.00 0.00 O ATOM 704 CB ASP A 45 10.205 9.727 -2.951 1.00 0.00 C ATOM 705 CG ASP A 45 9.503 10.575 -3.993 1.00 0.00 C ATOM 706 OD1 ASP A 45 8.246 10.603 -3.984 1.00 0.00 O ATOM 707 OD2 ASP A 45 10.195 11.166 -4.830 1.00 0.00 O ATOM 0 H ASP A 45 11.192 7.849 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 45 8.503 8.580 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.253 10.278 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.232 9.546 -3.267 1.00 0.00 H new ATOM 712 N ILE A 46 8.220 7.938 -4.669 1.00 0.00 N ATOM 713 CA ILE A 46 7.610 7.197 -5.746 1.00 0.00 C ATOM 714 C ILE A 46 8.332 7.347 -7.078 1.00 0.00 C ATOM 715 O ILE A 46 8.644 8.437 -7.513 1.00 0.00 O ATOM 716 CB ILE A 46 6.130 7.638 -5.874 1.00 0.00 C ATOM 717 CG1 ILE A 46 5.441 7.484 -4.507 1.00 0.00 C ATOM 718 CG2 ILE A 46 5.403 6.823 -6.938 1.00 0.00 C ATOM 719 CD1 ILE A 46 4.016 7.962 -4.467 1.00 0.00 C ATOM 0 H ILE A 46 7.701 8.786 -4.440 1.00 0.00 H new ATOM 0 HA ILE A 46 7.679 6.138 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 46 6.095 8.682 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.466 6.433 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.016 8.033 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.367 7.155 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.892 6.964 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.429 5.767 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.611 7.815 -3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.980 9.021 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.422 7.397 -5.185 1.00 0.00 H new ATOM 731 N SER A 47 8.570 6.229 -7.733 1.00 0.00 N ATOM 732 CA SER A 47 9.235 6.243 -9.002 1.00 0.00 C ATOM 733 C SER A 47 8.214 6.029 -10.144 1.00 0.00 C ATOM 734 O SER A 47 8.388 6.545 -11.242 1.00 0.00 O ATOM 735 CB SER A 47 10.290 5.151 -8.985 1.00 0.00 C ATOM 736 OG SER A 47 11.071 5.263 -7.794 1.00 0.00 O ATOM 0 H SER A 47 8.309 5.301 -7.399 1.00 0.00 H new ATOM 0 HA SER A 47 9.712 7.207 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.815 4.171 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.931 5.236 -9.863 1.00 0.00 H new ATOM 0 HG SER A 47 11.979 4.935 -7.966 1.00 0.00 H new ATOM 742 N VAL A 48 7.131 5.287 -9.868 1.00 0.00 N ATOM 743 CA VAL A 48 6.020 5.155 -10.807 1.00 0.00 C ATOM 744 C VAL A 48 4.719 5.169 -10.026 1.00 0.00 C ATOM 745 O VAL A 48 4.551 4.426 -9.056 1.00 0.00 O ATOM 746 CB VAL A 48 6.070 3.791 -11.610 1.00 0.00 C ATOM 747 CG1 VAL A 48 4.825 3.600 -12.496 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.332 3.678 -12.457 1.00 0.00 C ATOM 0 H VAL A 48 7.006 4.770 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 48 6.091 5.982 -11.513 1.00 0.00 H new ATOM 0 HB VAL A 48 6.084 2.997 -10.863 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.900 2.652 -13.029 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.931 3.596 -11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.761 4.417 -13.215 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.327 2.728 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.363 4.498 -13.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.209 3.727 -11.812 1.00 0.00 H new ATOM 758 N ASN A 49 3.838 6.014 -10.435 1.00 0.00 N ATOM 759 CA ASN A 49 2.484 6.065 -9.956 1.00 0.00 C ATOM 760 C ASN A 49 1.624 5.850 -11.161 1.00 0.00 C ATOM 761 O ASN A 49 1.714 6.652 -12.092 1.00 0.00 O ATOM 762 CB ASN A 49 2.183 7.433 -9.305 1.00 0.00 C ATOM 763 CG ASN A 49 0.762 7.570 -8.729 1.00 0.00 C ATOM 764 OD1 ASN A 49 -0.194 6.936 -9.176 1.00 0.00 O ATOM 765 ND2 ASN A 49 0.613 8.416 -7.742 1.00 0.00 N ATOM 0 H ASN A 49 4.041 6.721 -11.141 1.00 0.00 H new ATOM 0 HA ASN A 49 2.300 5.311 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.903 7.606 -8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.337 8.216 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.308 8.560 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.418 8.931 -7.386 1.00 0.00 H new ATOM 772 N LYS A 50 0.861 4.806 -11.231 1.00 0.00 N ATOM 773 CA LYS A 50 0.005 4.690 -12.352 1.00 0.00 C ATOM 774 C LYS A 50 -1.380 4.212 -12.014 1.00 0.00 C ATOM 775 O LYS A 50 -1.580 3.395 -11.097 1.00 0.00 O ATOM 776 CB LYS A 50 0.650 3.895 -13.493 1.00 0.00 C ATOM 777 CG LYS A 50 1.416 2.640 -13.119 1.00 0.00 C ATOM 778 CD LYS A 50 0.498 1.515 -12.732 1.00 0.00 C ATOM 779 CE LYS A 50 1.260 0.254 -12.427 1.00 0.00 C ATOM 780 NZ LYS A 50 0.351 -0.909 -12.198 1.00 0.00 N ATOM 0 H LYS A 50 0.816 4.050 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.136 5.707 -12.719 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.135 3.614 -14.195 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.330 4.560 -14.025 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.036 2.329 -13.960 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.090 2.860 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.087 1.807 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.208 1.327 -13.541 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.934 0.029 -13.253 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.879 0.409 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.837 -1.620 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.507 -0.587 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.089 -1.330 -13.112 1.00 0.00 H new ATOM 794 N ASN A 51 -2.324 4.758 -12.732 1.00 0.00 N ATOM 795 CA ASN A 51 -3.709 4.401 -12.626 1.00 0.00 C ATOM 796 C ASN A 51 -4.143 3.644 -13.864 1.00 0.00 C ATOM 797 O ASN A 51 -3.733 3.961 -14.975 1.00 0.00 O ATOM 798 CB ASN A 51 -4.607 5.644 -12.403 1.00 0.00 C ATOM 799 CG ASN A 51 -4.568 6.656 -13.552 1.00 0.00 C ATOM 800 OD1 ASN A 51 -3.728 7.537 -13.579 1.00 0.00 O ATOM 801 ND2 ASN A 51 -5.491 6.548 -14.485 1.00 0.00 N ATOM 0 H ASN A 51 -2.144 5.484 -13.426 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.825 3.758 -11.754 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.636 5.315 -12.258 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.299 6.142 -11.484 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.515 7.213 -15.258 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.181 5.799 -14.435 1.00 0.00 H new ATOM 808 N ASN A 52 -4.922 2.641 -13.664 1.00 0.00 N ATOM 809 CA ASN A 52 -5.498 1.860 -14.746 1.00 0.00 C ATOM 810 C ASN A 52 -7.009 1.999 -14.752 1.00 0.00 C ATOM 811 O ASN A 52 -7.628 2.148 -15.790 1.00 0.00 O ATOM 812 CB ASN A 52 -5.110 0.385 -14.581 1.00 0.00 C ATOM 813 CG ASN A 52 -5.977 -0.578 -15.390 1.00 0.00 C ATOM 814 OD1 ASN A 52 -7.016 -1.053 -14.899 1.00 0.00 O ATOM 815 ND2 ASN A 52 -5.571 -0.883 -16.599 1.00 0.00 N ATOM 0 H ASN A 52 -5.193 2.319 -12.735 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.110 2.232 -15.694 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.069 0.258 -14.878 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.175 0.118 -13.526 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.113 -1.530 -17.171 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.713 -0.473 -16.967 1.00 0.00 H new ATOM 822 N GLY A 53 -7.587 1.969 -13.576 1.00 0.00 N ATOM 823 CA GLY A 53 -9.025 1.997 -13.460 1.00 0.00 C ATOM 824 C GLY A 53 -9.481 0.851 -12.605 1.00 0.00 C ATOM 825 O GLY A 53 -10.444 0.951 -11.831 1.00 0.00 O ATOM 0 H GLY A 53 -7.086 1.925 -12.688 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.347 2.942 -13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.481 1.932 -14.448 1.00 0.00 H new ATOM 829 N THR A 54 -8.825 -0.265 -12.752 1.00 0.00 N ATOM 830 CA THR A 54 -9.066 -1.353 -11.864 1.00 0.00 C ATOM 831 C THR A 54 -7.780 -1.640 -11.096 1.00 0.00 C ATOM 832 O THR A 54 -7.740 -2.453 -10.167 1.00 0.00 O ATOM 833 CB THR A 54 -9.637 -2.605 -12.598 1.00 0.00 C ATOM 834 OG1 THR A 54 -10.402 -3.385 -11.665 1.00 0.00 O ATOM 835 CG2 THR A 54 -8.543 -3.474 -13.226 1.00 0.00 C ATOM 0 H THR A 54 -8.126 -0.439 -13.474 1.00 0.00 H new ATOM 0 HA THR A 54 -9.845 -1.079 -11.153 1.00 0.00 H new ATOM 0 HB THR A 54 -10.267 -2.252 -13.414 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.766 -4.174 -12.119 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.999 -4.330 -13.723 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.985 -2.886 -13.955 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.865 -3.825 -12.448 1.00 0.00 H new ATOM 843 N ASP A 55 -6.766 -0.906 -11.479 1.00 0.00 N ATOM 844 CA ASP A 55 -5.463 -0.949 -10.884 1.00 0.00 C ATOM 845 C ASP A 55 -4.989 0.443 -10.598 1.00 0.00 C ATOM 846 O ASP A 55 -5.332 1.396 -11.317 1.00 0.00 O ATOM 847 CB ASP A 55 -4.450 -1.701 -11.783 1.00 0.00 C ATOM 848 CG ASP A 55 -2.981 -1.333 -11.535 1.00 0.00 C ATOM 849 OD1 ASP A 55 -2.429 -1.755 -10.521 1.00 0.00 O ATOM 850 OD2 ASP A 55 -2.366 -0.644 -12.372 1.00 0.00 O ATOM 0 H ASP A 55 -6.833 -0.236 -12.245 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.534 -1.501 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.573 -2.773 -11.629 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.690 -1.499 -12.827 1.00 0.00 H new ATOM 855 N ALA A 56 -4.332 0.552 -9.509 1.00 0.00 N ATOM 856 CA ALA A 56 -3.634 1.719 -9.076 1.00 0.00 C ATOM 857 C ALA A 56 -2.472 1.181 -8.326 1.00 0.00 C ATOM 858 O ALA A 56 -2.644 0.441 -7.354 1.00 0.00 O ATOM 859 CB ALA A 56 -4.485 2.600 -8.186 1.00 0.00 C ATOM 0 H ALA A 56 -4.257 -0.218 -8.845 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.349 2.354 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.910 3.475 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.372 2.921 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.787 2.040 -7.301 1.00 0.00 H new ATOM 865 N GLU A 57 -1.318 1.472 -8.761 1.00 0.00 N ATOM 866 CA GLU A 57 -0.191 0.826 -8.202 1.00 0.00 C ATOM 867 C GLU A 57 0.927 1.800 -8.045 1.00 0.00 C ATOM 868 O GLU A 57 1.217 2.598 -8.960 1.00 0.00 O ATOM 869 CB GLU A 57 0.138 -0.328 -9.113 1.00 0.00 C ATOM 870 CG GLU A 57 1.170 -1.319 -8.655 1.00 0.00 C ATOM 871 CD GLU A 57 1.102 -2.535 -9.540 1.00 0.00 C ATOM 872 OE1 GLU A 57 1.728 -2.514 -10.622 1.00 0.00 O ATOM 873 OE2 GLU A 57 0.336 -3.472 -9.213 1.00 0.00 O ATOM 0 H GLU A 57 -1.119 2.148 -9.498 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.383 0.441 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.785 -0.874 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.471 0.084 -10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.165 -0.875 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.991 -1.598 -7.617 1.00 0.00 H new ATOM 880 N ILE A 58 1.520 1.767 -6.889 1.00 0.00 N ATOM 881 CA ILE A 58 2.544 2.690 -6.539 1.00 0.00 C ATOM 882 C ILE A 58 3.847 1.928 -6.468 1.00 0.00 C ATOM 883 O ILE A 58 3.943 0.928 -5.742 1.00 0.00 O ATOM 884 CB ILE A 58 2.277 3.315 -5.139 1.00 0.00 C ATOM 885 CG1 ILE A 58 0.799 3.753 -4.958 1.00 0.00 C ATOM 886 CG2 ILE A 58 3.199 4.496 -4.921 1.00 0.00 C ATOM 887 CD1 ILE A 58 0.299 4.801 -5.937 1.00 0.00 C ATOM 0 H ILE A 58 1.300 1.090 -6.159 1.00 0.00 H new ATOM 0 HA ILE A 58 2.575 3.487 -7.282 1.00 0.00 H new ATOM 0 HB ILE A 58 2.477 2.545 -4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.165 2.871 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.675 4.139 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.008 4.930 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.236 4.163 -4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.018 5.246 -5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.744 5.033 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.900 5.705 -5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.382 4.418 -6.954 1.00 0.00 H new ATOM 899 N VAL A 59 4.825 2.366 -7.210 1.00 0.00 N ATOM 900 CA VAL A 59 6.114 1.724 -7.207 1.00 0.00 C ATOM 901 C VAL A 59 7.187 2.760 -6.922 1.00 0.00 C ATOM 902 O VAL A 59 7.381 3.696 -7.690 1.00 0.00 O ATOM 903 CB VAL A 59 6.431 1.021 -8.567 1.00 0.00 C ATOM 904 CG1 VAL A 59 7.764 0.277 -8.502 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.310 0.069 -8.980 1.00 0.00 C ATOM 0 H VAL A 59 4.755 3.172 -7.831 1.00 0.00 H new ATOM 0 HA VAL A 59 6.098 0.957 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 59 6.507 1.801 -9.325 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.960 -0.203 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.564 0.983 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.720 -0.481 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.564 -0.402 -9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.185 -0.699 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.380 0.627 -9.089 1.00 0.00 H new ATOM 915 N SER A 60 7.823 2.618 -5.825 1.00 0.00 N ATOM 916 CA SER A 60 8.909 3.459 -5.439 1.00 0.00 C ATOM 917 C SER A 60 10.169 2.599 -5.403 1.00 0.00 C ATOM 918 O SER A 60 10.098 1.422 -5.066 1.00 0.00 O ATOM 919 CB SER A 60 8.602 4.039 -4.067 1.00 0.00 C ATOM 920 OG SER A 60 7.319 4.639 -4.056 1.00 0.00 O ATOM 0 H SER A 60 7.603 1.893 -5.142 1.00 0.00 H new ATOM 0 HA SER A 60 9.055 4.282 -6.138 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.648 3.252 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.358 4.778 -3.801 1.00 0.00 H new ATOM 0 HG SER A 60 6.674 4.024 -3.648 1.00 0.00 H new ATOM 926 N ALA A 61 11.295 3.145 -5.744 1.00 0.00 N ATOM 927 CA ALA A 61 12.500 2.357 -5.766 1.00 0.00 C ATOM 928 C ALA A 61 13.355 2.693 -4.578 1.00 0.00 C ATOM 929 O ALA A 61 13.367 3.825 -4.115 1.00 0.00 O ATOM 930 CB ALA A 61 13.266 2.564 -7.063 1.00 0.00 C ATOM 0 H ALA A 61 11.411 4.123 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 61 12.226 1.304 -5.712 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.171 1.957 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.641 2.268 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.536 3.615 -7.162 1.00 0.00 H new ATOM 936 N SER A 62 14.025 1.706 -4.071 1.00 0.00 N ATOM 937 CA SER A 62 14.841 1.860 -2.920 1.00 0.00 C ATOM 938 C SER A 62 16.317 1.800 -3.304 1.00 0.00 C ATOM 939 O SER A 62 16.811 0.771 -3.752 1.00 0.00 O ATOM 940 CB SER A 62 14.476 0.757 -1.935 1.00 0.00 C ATOM 941 OG SER A 62 13.086 0.823 -1.621 1.00 0.00 O ATOM 0 H SER A 62 14.017 0.761 -4.454 1.00 0.00 H new ATOM 0 HA SER A 62 14.671 2.832 -2.457 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.715 -0.217 -2.362 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.068 0.860 -1.026 1.00 0.00 H new ATOM 0 HG SER A 62 12.859 0.110 -0.989 1.00 0.00 H new ATOM 947 N ASP A 63 16.986 2.922 -3.189 1.00 0.00 N ATOM 948 CA ASP A 63 18.421 3.015 -3.466 1.00 0.00 C ATOM 949 C ASP A 63 19.214 2.604 -2.238 1.00 0.00 C ATOM 950 O ASP A 63 20.300 2.038 -2.342 1.00 0.00 O ATOM 951 CB ASP A 63 18.781 4.463 -3.816 1.00 0.00 C ATOM 952 CG ASP A 63 18.370 5.404 -2.703 1.00 0.00 C ATOM 953 OD1 ASP A 63 17.185 5.766 -2.672 1.00 0.00 O ATOM 954 OD2 ASP A 63 19.189 5.700 -1.810 1.00 0.00 O ATOM 0 H ASP A 63 16.561 3.804 -2.901 1.00 0.00 H new ATOM 0 HA ASP A 63 18.662 2.354 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.854 4.544 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.286 4.751 -4.743 1.00 0.00 H new ATOM 959 N SER A 64 18.644 2.854 -1.078 1.00 0.00 N ATOM 960 CA SER A 64 19.304 2.561 0.157 1.00 0.00 C ATOM 961 C SER A 64 19.082 1.103 0.522 1.00 0.00 C ATOM 962 O SER A 64 19.933 0.449 1.139 1.00 0.00 O ATOM 963 CB SER A 64 18.792 3.500 1.240 1.00 0.00 C ATOM 964 OG SER A 64 18.977 4.866 0.861 1.00 0.00 O ATOM 0 H SER A 64 17.716 3.264 -0.975 1.00 0.00 H new ATOM 0 HA SER A 64 20.378 2.718 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 64 17.734 3.309 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.317 3.304 2.175 1.00 0.00 H new ATOM 0 HG SER A 64 19.058 4.927 -0.114 1.00 0.00 H new ATOM 970 N ASP A 65 17.950 0.581 0.121 1.00 0.00 N ATOM 971 CA ASP A 65 17.675 -0.804 0.331 1.00 0.00 C ATOM 972 C ASP A 65 17.932 -1.528 -0.944 1.00 0.00 C ATOM 973 O ASP A 65 17.075 -1.621 -1.803 1.00 0.00 O ATOM 974 CB ASP A 65 16.240 -1.071 0.811 1.00 0.00 C ATOM 975 CG ASP A 65 15.949 -0.491 2.166 1.00 0.00 C ATOM 976 OD1 ASP A 65 15.652 0.696 2.257 1.00 0.00 O ATOM 977 OD2 ASP A 65 16.013 -1.240 3.167 1.00 0.00 O ATOM 0 H ASP A 65 17.210 1.100 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 65 18.329 -1.161 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.539 -0.655 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 65 16.068 -2.147 0.839 1.00 0.00 H new ATOM 982 N SER A 66 19.122 -2.047 -1.046 1.00 0.00 N ATOM 983 CA SER A 66 19.599 -2.775 -2.212 1.00 0.00 C ATOM 984 C SER A 66 18.773 -4.042 -2.478 1.00 0.00 C ATOM 985 O SER A 66 18.853 -4.625 -3.550 1.00 0.00 O ATOM 986 CB SER A 66 21.095 -3.115 -2.039 1.00 0.00 C ATOM 987 OG SER A 66 21.621 -3.797 -3.165 1.00 0.00 O ATOM 0 H SER A 66 19.817 -1.979 -0.303 1.00 0.00 H new ATOM 0 HA SER A 66 19.477 -2.133 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.659 -2.196 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 21.226 -3.731 -1.149 1.00 0.00 H new ATOM 0 HG SER A 66 20.890 -4.216 -3.665 1.00 0.00 H new ATOM 993 N THR A 67 18.016 -4.469 -1.490 1.00 0.00 N ATOM 994 CA THR A 67 17.311 -5.709 -1.569 1.00 0.00 C ATOM 995 C THR A 67 16.040 -5.667 -2.433 1.00 0.00 C ATOM 996 O THR A 67 15.580 -6.746 -2.807 1.00 0.00 O ATOM 997 CB THR A 67 16.962 -6.256 -0.146 1.00 0.00 C ATOM 998 OG1 THR A 67 16.201 -7.473 -0.240 1.00 0.00 O ATOM 999 CG2 THR A 67 16.172 -5.230 0.667 1.00 0.00 C ATOM 0 H THR A 67 17.879 -3.961 -0.616 1.00 0.00 H new ATOM 0 HA THR A 67 18.002 -6.387 -2.070 1.00 0.00 H new ATOM 0 HB THR A 67 17.905 -6.456 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.875 -7.585 -1.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.946 -5.642 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.764 -4.322 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 67 15.242 -4.994 0.150 1.00 0.00 H new ATOM 1007 N ASP A 68 15.490 -4.465 -2.770 1.00 0.00 N ATOM 1008 CA ASP A 68 14.246 -4.405 -3.598 1.00 0.00 C ATOM 1009 C ASP A 68 13.737 -2.955 -3.735 1.00 0.00 C ATOM 1010 O ASP A 68 14.511 -2.005 -3.687 1.00 0.00 O ATOM 1011 CB ASP A 68 13.117 -5.247 -2.971 1.00 0.00 C ATOM 1012 CG ASP A 68 12.157 -5.795 -4.031 1.00 0.00 C ATOM 1013 OD1 ASP A 68 11.144 -5.120 -4.386 1.00 0.00 O ATOM 1014 OD2 ASP A 68 12.390 -6.905 -4.547 1.00 0.00 O ATOM 0 H ASP A 68 15.868 -3.558 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 68 14.505 -4.803 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.550 -6.075 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.562 -4.637 -2.259 1.00 0.00 H new ATOM 1019 N SER A 69 12.434 -2.826 -3.899 1.00 0.00 N ATOM 1020 CA SER A 69 11.739 -1.604 -4.104 1.00 0.00 C ATOM 1021 C SER A 69 10.412 -1.639 -3.316 1.00 0.00 C ATOM 1022 O SER A 69 9.972 -2.707 -2.872 1.00 0.00 O ATOM 1023 CB SER A 69 11.478 -1.473 -5.607 1.00 0.00 C ATOM 1024 OG SER A 69 10.919 -2.683 -6.132 1.00 0.00 O ATOM 0 H SER A 69 11.809 -3.632 -3.889 1.00 0.00 H new ATOM 0 HA SER A 69 12.318 -0.750 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.797 -0.642 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.410 -1.243 -6.124 1.00 0.00 H new ATOM 0 HG SER A 69 10.758 -2.579 -7.093 1.00 0.00 H new ATOM 1030 N LEU A 70 9.799 -0.498 -3.123 1.00 0.00 N ATOM 1031 CA LEU A 70 8.529 -0.428 -2.446 1.00 0.00 C ATOM 1032 C LEU A 70 7.447 -0.473 -3.512 1.00 0.00 C ATOM 1033 O LEU A 70 7.307 0.443 -4.310 1.00 0.00 O ATOM 1034 CB LEU A 70 8.443 0.883 -1.588 1.00 0.00 C ATOM 1035 CG LEU A 70 7.170 1.156 -0.698 1.00 0.00 C ATOM 1036 CD1 LEU A 70 5.904 1.419 -1.513 1.00 0.00 C ATOM 1037 CD2 LEU A 70 6.946 0.028 0.298 1.00 0.00 C ATOM 0 H LEU A 70 10.164 0.404 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 70 8.403 -1.263 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.310 0.897 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.549 1.726 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 70 7.378 2.075 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.067 1.599 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.054 2.294 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.687 0.552 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.062 0.243 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.801 -0.909 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.815 -0.059 0.950 1.00 0.00 H new ATOM 1049 N GLN A 71 6.715 -1.534 -3.534 1.00 0.00 N ATOM 1050 CA GLN A 71 5.639 -1.689 -4.467 1.00 0.00 C ATOM 1051 C GLN A 71 4.364 -2.026 -3.729 1.00 0.00 C ATOM 1052 O GLN A 71 4.317 -2.985 -2.941 1.00 0.00 O ATOM 1053 CB GLN A 71 5.989 -2.748 -5.527 1.00 0.00 C ATOM 1054 CG GLN A 71 4.826 -3.201 -6.397 1.00 0.00 C ATOM 1055 CD GLN A 71 5.245 -4.233 -7.421 1.00 0.00 C ATOM 1056 OE1 GLN A 71 5.249 -5.430 -7.152 1.00 0.00 O ATOM 1057 NE2 GLN A 71 5.570 -3.787 -8.604 1.00 0.00 N ATOM 0 H GLN A 71 6.843 -2.326 -2.904 1.00 0.00 H new ATOM 0 HA GLN A 71 5.481 -0.749 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.771 -2.348 -6.173 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.406 -3.620 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.042 -3.617 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.399 -2.338 -6.908 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.556 -2.785 -8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.838 -4.441 -9.340 1.00 0.00 H new ATOM 1066 N VAL A 72 3.365 -1.201 -3.932 1.00 0.00 N ATOM 1067 CA VAL A 72 2.063 -1.401 -3.357 1.00 0.00 C ATOM 1068 C VAL A 72 1.069 -1.501 -4.494 1.00 0.00 C ATOM 1069 O VAL A 72 0.954 -0.580 -5.314 1.00 0.00 O ATOM 1070 CB VAL A 72 1.660 -0.218 -2.422 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.255 -0.410 -1.857 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.655 -0.068 -1.288 1.00 0.00 C ATOM 0 H VAL A 72 3.438 -0.363 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 72 2.073 -2.309 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 72 1.667 0.691 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.005 0.431 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.462 -0.464 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.218 -1.335 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.355 0.762 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.680 -0.987 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.646 0.129 -1.697 1.00 0.00 H new ATOM 1082 N ALA A 73 0.363 -2.585 -4.538 1.00 0.00 N ATOM 1083 CA ALA A 73 -0.585 -2.829 -5.579 1.00 0.00 C ATOM 1084 C ALA A 73 -1.983 -2.736 -5.048 1.00 0.00 C ATOM 1085 O ALA A 73 -2.337 -3.439 -4.111 1.00 0.00 O ATOM 1086 CB ALA A 73 -0.337 -4.194 -6.188 1.00 0.00 C ATOM 0 H ALA A 73 0.428 -3.333 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.465 -2.070 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.062 -4.376 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.671 -4.230 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.441 -4.960 -5.419 1.00 0.00 H new ATOM 1092 N MET A 74 -2.770 -1.868 -5.639 1.00 0.00 N ATOM 1093 CA MET A 74 -4.151 -1.697 -5.250 1.00 0.00 C ATOM 1094 C MET A 74 -5.021 -2.089 -6.405 1.00 0.00 C ATOM 1095 O MET A 74 -4.874 -1.599 -7.529 1.00 0.00 O ATOM 1096 CB MET A 74 -4.430 -0.257 -4.813 1.00 0.00 C ATOM 1097 CG MET A 74 -3.491 0.252 -3.729 1.00 0.00 C ATOM 1098 SD MET A 74 -3.727 1.986 -3.330 1.00 0.00 S ATOM 1099 CE MET A 74 -2.997 2.747 -4.761 1.00 0.00 C ATOM 0 H MET A 74 -2.472 -1.261 -6.402 1.00 0.00 H new ATOM 0 HA MET A 74 -4.370 -2.334 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.354 0.397 -5.682 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.456 -0.190 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.635 -0.343 -2.827 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.461 0.099 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 74 -2.689 3.763 -4.515 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.127 2.170 -5.076 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.727 2.775 -5.570 1.00 0.00 H new ATOM 1109 N LYS A 75 -5.864 -3.008 -6.130 1.00 0.00 N ATOM 1110 CA LYS A 75 -6.750 -3.610 -7.078 1.00 0.00 C ATOM 1111 C LYS A 75 -8.184 -3.304 -6.684 1.00 0.00 C ATOM 1112 O LYS A 75 -8.535 -3.437 -5.517 1.00 0.00 O ATOM 1113 CB LYS A 75 -6.549 -5.104 -6.994 1.00 0.00 C ATOM 1114 CG LYS A 75 -5.558 -5.790 -7.950 1.00 0.00 C ATOM 1115 CD LYS A 75 -4.087 -5.300 -7.871 1.00 0.00 C ATOM 1116 CE LYS A 75 -3.786 -4.212 -8.908 1.00 0.00 C ATOM 1117 NZ LYS A 75 -2.371 -3.727 -8.869 1.00 0.00 N ATOM 0 H LYS A 75 -5.969 -3.389 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.553 -3.233 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.234 -5.334 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.522 -5.573 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.574 -6.862 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.913 -5.650 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.887 -4.913 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.415 -6.144 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.002 -4.600 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.456 -3.368 -8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.188 -3.123 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.216 -3.179 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.724 -4.541 -8.886 1.00 0.00 H new ATOM 1131 N LYS A 76 -9.004 -2.943 -7.639 1.00 0.00 N ATOM 1132 CA LYS A 76 -10.366 -2.563 -7.349 1.00 0.00 C ATOM 1133 C LYS A 76 -11.307 -3.749 -7.442 1.00 0.00 C ATOM 1134 O LYS A 76 -11.365 -4.424 -8.473 1.00 0.00 O ATOM 1135 CB LYS A 76 -10.851 -1.497 -8.324 1.00 0.00 C ATOM 1136 CG LYS A 76 -12.251 -0.990 -7.999 1.00 0.00 C ATOM 1137 CD LYS A 76 -12.836 -0.067 -9.060 1.00 0.00 C ATOM 1138 CE LYS A 76 -13.280 -0.820 -10.311 1.00 0.00 C ATOM 1139 NZ LYS A 76 -12.171 -1.204 -11.210 1.00 0.00 N ATOM 0 H LYS A 76 -8.752 -2.904 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.372 -2.173 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.155 -0.658 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.843 -1.905 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.915 -1.845 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.223 -0.461 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.688 0.469 -8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.093 0.681 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.817 -1.719 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.984 -0.199 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.543 -1.378 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.471 -0.436 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.718 -2.069 -10.852 1.00 0.00 H new ATOM 1153 N LEU A 77 -12.054 -3.966 -6.396 1.00 0.00 N ATOM 1154 CA LEU A 77 -13.075 -4.987 -6.373 1.00 0.00 C ATOM 1155 C LEU A 77 -14.433 -4.328 -6.577 1.00 0.00 C ATOM 1156 O LEU A 77 -14.654 -3.200 -6.120 1.00 0.00 O ATOM 1157 CB LEU A 77 -13.068 -5.809 -5.053 1.00 0.00 C ATOM 1158 CG LEU A 77 -11.961 -6.871 -4.868 1.00 0.00 C ATOM 1159 CD1 LEU A 77 -12.002 -7.916 -5.973 1.00 0.00 C ATOM 1160 CD2 LEU A 77 -10.586 -6.247 -4.772 1.00 0.00 C ATOM 0 H LEU A 77 -11.974 -3.438 -5.527 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.867 -5.691 -7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.000 -5.107 -4.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.031 -6.312 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.161 -7.371 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.210 -8.647 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.969 -8.420 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.857 -7.431 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.839 -7.030 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.374 -5.691 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.553 -5.569 -3.919 1.00 0.00 H new ATOM 1172 N PRO A 78 -15.375 -5.013 -7.245 1.00 0.00 N ATOM 1173 CA PRO A 78 -16.707 -4.459 -7.543 1.00 0.00 C ATOM 1174 C PRO A 78 -17.632 -4.511 -6.325 1.00 0.00 C ATOM 1175 O PRO A 78 -18.793 -4.142 -6.384 1.00 0.00 O ATOM 1176 CB PRO A 78 -17.221 -5.382 -8.650 1.00 0.00 C ATOM 1177 CG PRO A 78 -16.564 -6.697 -8.393 1.00 0.00 C ATOM 1178 CD PRO A 78 -15.230 -6.399 -7.754 1.00 0.00 C ATOM 0 HA PRO A 78 -16.670 -3.408 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -18.307 -5.470 -8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.962 -4.997 -9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -17.178 -7.314 -7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -16.433 -7.252 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -15.009 -7.099 -6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.416 -6.476 -8.475 1.00 0.00 H new ATOM 1186 N ASN A 79 -17.080 -4.954 -5.225 1.00 0.00 N ATOM 1187 CA ASN A 79 -17.804 -5.095 -3.979 1.00 0.00 C ATOM 1188 C ASN A 79 -17.537 -3.895 -3.090 1.00 0.00 C ATOM 1189 O ASN A 79 -17.856 -3.922 -1.911 1.00 0.00 O ATOM 1190 CB ASN A 79 -17.357 -6.375 -3.249 1.00 0.00 C ATOM 1191 CG ASN A 79 -17.572 -7.638 -4.064 1.00 0.00 C ATOM 1192 OD1 ASN A 79 -16.710 -8.041 -4.836 1.00 0.00 O ATOM 1193 ND2 ASN A 79 -18.706 -8.278 -3.891 1.00 0.00 N ATOM 0 H ASN A 79 -16.101 -5.232 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.870 -5.158 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.300 -6.290 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.904 -6.459 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.890 -9.138 -4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -19.402 -7.915 -3.240 1.00 0.00 H new ATOM 1200 N ASN A 80 -16.977 -2.831 -3.696 1.00 0.00 N ATOM 1201 CA ASN A 80 -16.575 -1.589 -2.983 1.00 0.00 C ATOM 1202 C ASN A 80 -15.431 -1.892 -2.039 1.00 0.00 C ATOM 1203 O ASN A 80 -15.330 -1.351 -0.951 1.00 0.00 O ATOM 1204 CB ASN A 80 -17.754 -0.913 -2.227 1.00 0.00 C ATOM 1205 CG ASN A 80 -18.838 -0.375 -3.147 1.00 0.00 C ATOM 1206 OD1 ASN A 80 -18.782 0.765 -3.608 1.00 0.00 O ATOM 1207 ND2 ASN A 80 -19.843 -1.177 -3.405 1.00 0.00 N ATOM 0 H ASN A 80 -16.787 -2.802 -4.698 1.00 0.00 H new ATOM 0 HA ASN A 80 -16.249 -0.872 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.197 -1.635 -1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.365 -0.095 -1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -20.607 -0.861 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -19.861 -2.116 -3.008 1.00 0.00 H new ATOM 1214 N ALA A 81 -14.542 -2.733 -2.505 1.00 0.00 N ATOM 1215 CA ALA A 81 -13.403 -3.147 -1.744 1.00 0.00 C ATOM 1216 C ALA A 81 -12.165 -3.013 -2.597 1.00 0.00 C ATOM 1217 O ALA A 81 -12.260 -2.920 -3.825 1.00 0.00 O ATOM 1218 CB ALA A 81 -13.573 -4.582 -1.277 1.00 0.00 C ATOM 0 H ALA A 81 -14.595 -3.151 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.305 -2.514 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.699 -4.883 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -14.464 -4.659 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.679 -5.236 -2.142 1.00 0.00 H new ATOM 1224 N THR A 82 -11.031 -2.986 -1.974 1.00 0.00 N ATOM 1225 CA THR A 82 -9.784 -2.859 -2.670 1.00 0.00 C ATOM 1226 C THR A 82 -8.805 -3.921 -2.139 1.00 0.00 C ATOM 1227 O THR A 82 -8.740 -4.153 -0.934 1.00 0.00 O ATOM 1228 CB THR A 82 -9.220 -1.444 -2.431 1.00 0.00 C ATOM 1229 OG1 THR A 82 -10.255 -0.482 -2.679 1.00 0.00 O ATOM 1230 CG2 THR A 82 -8.056 -1.151 -3.362 1.00 0.00 C ATOM 0 H THR A 82 -10.940 -3.052 -0.960 1.00 0.00 H new ATOM 0 HA THR A 82 -9.928 -3.010 -3.740 1.00 0.00 H new ATOM 0 HB THR A 82 -8.869 -1.385 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.875 -0.465 -1.920 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.680 -0.146 -3.169 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.260 -1.876 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.391 -1.221 -4.397 1.00 0.00 H new ATOM 1238 N ARG A 83 -8.078 -4.578 -3.016 1.00 0.00 N ATOM 1239 CA ARG A 83 -7.133 -5.592 -2.605 1.00 0.00 C ATOM 1240 C ARG A 83 -5.750 -5.001 -2.716 1.00 0.00 C ATOM 1241 O ARG A 83 -5.393 -4.446 -3.754 1.00 0.00 O ATOM 1242 CB ARG A 83 -7.269 -6.829 -3.510 1.00 0.00 C ATOM 1243 CG ARG A 83 -6.371 -8.029 -3.179 1.00 0.00 C ATOM 1244 CD ARG A 83 -6.726 -8.684 -1.842 1.00 0.00 C ATOM 1245 NE ARG A 83 -5.995 -9.958 -1.656 1.00 0.00 N ATOM 1246 CZ ARG A 83 -6.014 -10.731 -0.539 1.00 0.00 C ATOM 1247 NH1 ARG A 83 -6.693 -10.357 0.541 1.00 0.00 N ATOM 1248 NH2 ARG A 83 -5.357 -11.890 -0.524 1.00 0.00 N ATOM 0 H ARG A 83 -8.124 -4.427 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.323 -5.906 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.307 -7.162 -3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.064 -6.524 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.454 -8.769 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.331 -7.703 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.487 -8.002 -1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.799 -8.869 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.426 -10.285 -2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.210 -9.478 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.697 -10.949 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.842 -12.195 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.369 -12.472 0.313 1.00 0.00 H new ATOM 1262 N ILE A 84 -4.996 -5.095 -1.659 1.00 0.00 N ATOM 1263 CA ILE A 84 -3.674 -4.560 -1.614 1.00 0.00 C ATOM 1264 C ILE A 84 -2.675 -5.675 -1.497 1.00 0.00 C ATOM 1265 O ILE A 84 -2.853 -6.623 -0.725 1.00 0.00 O ATOM 1266 CB ILE A 84 -3.478 -3.501 -0.455 1.00 0.00 C ATOM 1267 CG1 ILE A 84 -3.875 -2.102 -0.901 1.00 0.00 C ATOM 1268 CG2 ILE A 84 -2.065 -3.487 0.115 1.00 0.00 C ATOM 1269 CD1 ILE A 84 -5.343 -1.907 -1.158 1.00 0.00 C ATOM 0 H ILE A 84 -5.289 -5.552 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.509 -4.023 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.145 -3.820 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.558 -1.391 -0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.327 -1.859 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.999 -2.739 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.828 -4.469 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.356 -3.243 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.524 -0.879 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.668 -2.588 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.903 -2.113 -0.246 1.00 0.00 H new ATOM 1281 N SER A 85 -1.679 -5.586 -2.300 1.00 0.00 N ATOM 1282 CA SER A 85 -0.602 -6.507 -2.292 1.00 0.00 C ATOM 1283 C SER A 85 0.692 -5.725 -2.152 1.00 0.00 C ATOM 1284 O SER A 85 0.905 -4.728 -2.852 1.00 0.00 O ATOM 1285 CB SER A 85 -0.637 -7.340 -3.569 1.00 0.00 C ATOM 1286 OG SER A 85 -1.923 -7.945 -3.703 1.00 0.00 O ATOM 0 H SER A 85 -1.587 -4.850 -3.001 1.00 0.00 H new ATOM 0 HA SER A 85 -0.679 -7.198 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.427 -6.710 -4.433 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.137 -8.107 -3.538 1.00 0.00 H new ATOM 0 HG SER A 85 -1.949 -8.480 -4.524 1.00 0.00 H new ATOM 1292 N ILE A 86 1.486 -6.123 -1.210 1.00 0.00 N ATOM 1293 CA ILE A 86 2.742 -5.492 -0.917 1.00 0.00 C ATOM 1294 C ILE A 86 3.877 -6.365 -1.457 1.00 0.00 C ATOM 1295 O ILE A 86 3.770 -7.594 -1.474 1.00 0.00 O ATOM 1296 CB ILE A 86 2.921 -5.310 0.629 1.00 0.00 C ATOM 1297 CG1 ILE A 86 1.809 -4.419 1.254 1.00 0.00 C ATOM 1298 CG2 ILE A 86 4.300 -4.766 0.975 1.00 0.00 C ATOM 1299 CD1 ILE A 86 1.844 -2.951 0.861 1.00 0.00 C ATOM 0 H ILE A 86 1.277 -6.917 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 86 2.763 -4.510 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 86 2.827 -6.304 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.839 -4.829 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.881 -4.488 2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.386 -4.653 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.064 -5.458 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.439 -3.796 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.027 -2.423 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.794 -2.515 1.168 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.736 -2.861 -0.220 1.00 0.00 H new ATOM 1311 N LYS A 87 4.941 -5.736 -1.857 1.00 0.00 N ATOM 1312 CA LYS A 87 6.114 -6.403 -2.340 1.00 0.00 C ATOM 1313 C LYS A 87 7.182 -6.207 -1.286 1.00 0.00 C ATOM 1314 O LYS A 87 7.331 -5.113 -0.739 1.00 0.00 O ATOM 1315 CB LYS A 87 6.572 -5.756 -3.645 1.00 0.00 C ATOM 1316 CG LYS A 87 7.924 -6.234 -4.144 1.00 0.00 C ATOM 1317 CD LYS A 87 7.916 -7.693 -4.565 1.00 0.00 C ATOM 1318 CE LYS A 87 9.335 -8.190 -4.766 1.00 0.00 C ATOM 1319 NZ LYS A 87 10.112 -7.298 -5.645 1.00 0.00 N ATOM 0 H LYS A 87 5.020 -4.719 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 87 5.920 -7.459 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.825 -5.951 -4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.611 -4.676 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.232 -5.619 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.667 -6.092 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.417 -8.295 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.348 -7.809 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.832 -8.269 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.311 -9.192 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.098 -7.626 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.701 -7.308 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.086 -6.329 -5.267 1.00 0.00 H new ATOM 1333 N TYR A 88 7.879 -7.262 -0.959 1.00 0.00 N ATOM 1334 CA TYR A 88 8.805 -7.213 0.129 1.00 0.00 C ATOM 1335 C TYR A 88 10.238 -7.329 -0.340 1.00 0.00 C ATOM 1336 O TYR A 88 10.511 -7.870 -1.405 1.00 0.00 O ATOM 1337 CB TYR A 88 8.509 -8.349 1.141 1.00 0.00 C ATOM 1338 CG TYR A 88 9.023 -9.736 0.732 1.00 0.00 C ATOM 1339 CD1 TYR A 88 8.549 -10.390 -0.394 1.00 0.00 C ATOM 1340 CD2 TYR A 88 10.016 -10.365 1.473 1.00 0.00 C ATOM 1341 CE1 TYR A 88 9.046 -11.626 -0.761 1.00 0.00 C ATOM 1342 CE2 TYR A 88 10.518 -11.595 1.108 1.00 0.00 C ATOM 1343 CZ TYR A 88 10.026 -12.222 -0.008 1.00 0.00 C ATOM 1344 OH TYR A 88 10.522 -13.447 -0.379 1.00 0.00 O ATOM 0 H TYR A 88 7.820 -8.163 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 88 8.680 -6.243 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.951 -8.083 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.431 -8.408 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.780 -9.927 -0.994 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.403 -9.878 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.663 -12.123 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.294 -12.062 1.697 1.00 0.00 H new ATOM 0 HH TYR A 88 11.210 -13.728 0.259 1.00 0.00 H new ATOM 1354 N GLY A 89 11.124 -6.797 0.463 1.00 0.00 N ATOM 1355 CA GLY A 89 12.525 -7.027 0.295 1.00 0.00 C ATOM 1356 C GLY A 89 12.903 -8.119 1.264 1.00 0.00 C ATOM 1357 O GLY A 89 12.132 -8.377 2.191 1.00 0.00 O ATOM 0 H GLY A 89 10.888 -6.193 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.748 -7.324 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.093 -6.118 0.495 1.00 0.00 H new ATOM 1361 N SER A 90 14.078 -8.698 1.126 1.00 0.00 N ATOM 1362 CA SER A 90 14.507 -9.874 1.920 1.00 0.00 C ATOM 1363 C SER A 90 14.492 -9.627 3.453 1.00 0.00 C ATOM 1364 O SER A 90 14.509 -10.567 4.234 1.00 0.00 O ATOM 1365 CB SER A 90 15.899 -10.345 1.449 1.00 0.00 C ATOM 1366 OG SER A 90 16.320 -11.521 2.119 1.00 0.00 O ATOM 0 H SER A 90 14.781 -8.378 0.460 1.00 0.00 H new ATOM 0 HA SER A 90 13.774 -10.661 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.874 -10.530 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.626 -9.551 1.619 1.00 0.00 H new ATOM 0 HG SER A 90 15.902 -11.560 3.004 1.00 0.00 H new ATOM 1372 N GLN A 91 14.454 -8.372 3.848 1.00 0.00 N ATOM 1373 CA GLN A 91 14.457 -7.978 5.258 1.00 0.00 C ATOM 1374 C GLN A 91 13.039 -8.033 5.870 1.00 0.00 C ATOM 1375 O GLN A 91 12.877 -7.886 7.070 1.00 0.00 O ATOM 1376 CB GLN A 91 15.022 -6.561 5.370 1.00 0.00 C ATOM 1377 CG GLN A 91 14.198 -5.523 4.614 1.00 0.00 C ATOM 1378 CD GLN A 91 14.857 -4.168 4.550 1.00 0.00 C ATOM 1379 OE1 GLN A 91 15.606 -3.768 5.445 1.00 0.00 O ATOM 1380 NE2 GLN A 91 14.583 -3.448 3.495 1.00 0.00 N ATOM 0 H GLN A 91 14.420 -7.584 3.202 1.00 0.00 H new ATOM 0 HA GLN A 91 15.078 -8.679 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 91 15.073 -6.279 6.422 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.043 -6.553 4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 91 14.019 -5.880 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.224 -5.423 5.093 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.959 -3.814 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.993 -2.520 3.390 1.00 0.00 H new ATOM 1389 N GLY A 92 12.031 -8.239 5.031 1.00 0.00 N ATOM 1390 CA GLY A 92 10.664 -8.261 5.510 1.00 0.00 C ATOM 1391 C GLY A 92 10.042 -6.876 5.471 1.00 0.00 C ATOM 1392 O GLY A 92 10.196 -6.082 6.387 1.00 0.00 O ATOM 0 H GLY A 92 12.137 -8.391 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.074 -8.944 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.640 -8.644 6.530 1.00 0.00 H new ATOM 1396 N ASN A 93 9.324 -6.590 4.408 1.00 0.00 N ATOM 1397 CA ASN A 93 8.725 -5.261 4.216 1.00 0.00 C ATOM 1398 C ASN A 93 7.379 -5.166 4.946 1.00 0.00 C ATOM 1399 O ASN A 93 6.781 -4.091 5.069 1.00 0.00 O ATOM 1400 CB ASN A 93 8.579 -4.944 2.718 1.00 0.00 C ATOM 1401 CG ASN A 93 8.186 -3.499 2.425 1.00 0.00 C ATOM 1402 OD1 ASN A 93 8.488 -2.596 3.188 1.00 0.00 O ATOM 1403 ND2 ASN A 93 7.569 -3.270 1.301 1.00 0.00 N ATOM 0 H ASN A 93 9.133 -7.251 3.655 1.00 0.00 H new ATOM 0 HA ASN A 93 9.390 -4.513 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.522 -5.162 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.829 -5.608 2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.325 -2.315 1.038 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.330 -4.046 0.683 1.00 0.00 H new ATOM 1410 N SER A 94 6.916 -6.299 5.438 1.00 0.00 N ATOM 1411 CA SER A 94 5.661 -6.412 6.153 1.00 0.00 C ATOM 1412 C SER A 94 5.578 -5.453 7.366 1.00 0.00 C ATOM 1413 O SER A 94 4.496 -4.986 7.715 1.00 0.00 O ATOM 1414 CB SER A 94 5.474 -7.868 6.562 1.00 0.00 C ATOM 1415 OG SER A 94 6.694 -8.390 7.078 1.00 0.00 O ATOM 0 H SER A 94 7.413 -7.185 5.349 1.00 0.00 H new ATOM 0 HA SER A 94 4.847 -6.108 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.689 -7.945 7.314 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.151 -8.457 5.703 1.00 0.00 H new ATOM 0 HG SER A 94 6.565 -9.325 7.340 1.00 0.00 H new ATOM 1421 N ILE A 95 6.730 -5.134 7.961 1.00 0.00 N ATOM 1422 CA ILE A 95 6.798 -4.204 9.097 1.00 0.00 C ATOM 1423 C ILE A 95 6.330 -2.804 8.655 1.00 0.00 C ATOM 1424 O ILE A 95 5.422 -2.216 9.257 1.00 0.00 O ATOM 1425 CB ILE A 95 8.245 -4.119 9.736 1.00 0.00 C ATOM 1426 CG1 ILE A 95 8.677 -5.446 10.421 1.00 0.00 C ATOM 1427 CG2 ILE A 95 8.344 -2.968 10.740 1.00 0.00 C ATOM 1428 CD1 ILE A 95 8.951 -6.617 9.492 1.00 0.00 C ATOM 0 H ILE A 95 7.635 -5.507 7.675 1.00 0.00 H new ATOM 0 HA ILE A 95 6.135 -4.592 9.870 1.00 0.00 H new ATOM 0 HB ILE A 95 8.928 -3.933 8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.576 -5.254 11.006 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.897 -5.740 11.123 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.349 -2.937 11.160 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.133 -2.025 10.235 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.620 -3.121 11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.244 -7.487 10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.050 -6.849 8.924 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.756 -6.356 8.805 1.00 0.00 H new ATOM 1440 N ARG A 96 6.922 -2.313 7.562 1.00 0.00 N ATOM 1441 CA ARG A 96 6.566 -1.013 6.972 1.00 0.00 C ATOM 1442 C ARG A 96 5.093 -1.021 6.584 1.00 0.00 C ATOM 1443 O ARG A 96 4.342 -0.086 6.859 1.00 0.00 O ATOM 1444 CB ARG A 96 7.361 -0.793 5.672 1.00 0.00 C ATOM 1445 CG ARG A 96 8.876 -0.590 5.775 1.00 0.00 C ATOM 1446 CD ARG A 96 9.255 0.846 6.134 1.00 0.00 C ATOM 1447 NE ARG A 96 9.171 1.150 7.562 1.00 0.00 N ATOM 1448 CZ ARG A 96 8.423 2.105 8.125 1.00 0.00 C ATOM 1449 NH1 ARG A 96 7.503 2.768 7.407 1.00 0.00 N ATOM 1450 NH2 ARG A 96 8.609 2.399 9.406 1.00 0.00 N ATOM 0 H ARG A 96 7.662 -2.803 7.059 1.00 0.00 H new ATOM 0 HA ARG A 96 6.784 -0.233 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.183 -1.651 5.024 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.942 0.078 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.279 -1.267 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.340 -0.857 4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.272 1.037 5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.602 1.529 5.590 1.00 0.00 H new ATOM 0 HE ARG A 96 9.737 0.579 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.368 2.545 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.939 3.494 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.315 1.899 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.046 3.125 9.850 1.00 0.00 H new ATOM 1464 N SER A 97 4.706 -2.114 5.985 1.00 0.00 N ATOM 1465 CA SER A 97 3.401 -2.299 5.407 1.00 0.00 C ATOM 1466 C SER A 97 2.279 -2.351 6.439 1.00 0.00 C ATOM 1467 O SER A 97 1.184 -1.860 6.179 1.00 0.00 O ATOM 1468 CB SER A 97 3.427 -3.556 4.592 1.00 0.00 C ATOM 1469 OG SER A 97 4.520 -3.510 3.699 1.00 0.00 O ATOM 0 H SER A 97 5.311 -2.929 5.882 1.00 0.00 H new ATOM 0 HA SER A 97 3.181 -1.432 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 97 3.512 -4.425 5.245 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.494 -3.664 4.038 1.00 0.00 H new ATOM 0 HG SER A 97 5.332 -3.810 4.160 1.00 0.00 H new ATOM 1475 N SER A 98 2.545 -2.924 7.600 1.00 0.00 N ATOM 1476 CA SER A 98 1.530 -3.021 8.621 1.00 0.00 C ATOM 1477 C SER A 98 1.168 -1.613 9.107 1.00 0.00 C ATOM 1478 O SER A 98 -0.002 -1.304 9.349 1.00 0.00 O ATOM 1479 CB SER A 98 2.015 -3.912 9.777 1.00 0.00 C ATOM 1480 OG SER A 98 0.939 -4.299 10.620 1.00 0.00 O ATOM 0 H SER A 98 3.448 -3.324 7.853 1.00 0.00 H new ATOM 0 HA SER A 98 0.635 -3.486 8.208 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.501 -4.800 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.763 -3.377 10.362 1.00 0.00 H new ATOM 0 HG SER A 98 1.278 -4.866 11.344 1.00 0.00 H new ATOM 1486 N ALA A 99 2.177 -0.762 9.215 1.00 0.00 N ATOM 1487 CA ALA A 99 1.965 0.619 9.589 1.00 0.00 C ATOM 1488 C ALA A 99 1.275 1.368 8.454 1.00 0.00 C ATOM 1489 O ALA A 99 0.379 2.171 8.688 1.00 0.00 O ATOM 1490 CB ALA A 99 3.283 1.285 9.960 1.00 0.00 C ATOM 0 H ALA A 99 3.152 -1.009 9.047 1.00 0.00 H new ATOM 0 HA ALA A 99 1.318 0.649 10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.101 2.323 10.238 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.733 0.758 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.960 1.252 9.107 1.00 0.00 H new ATOM 1496 N LEU A 100 1.688 1.057 7.221 1.00 0.00 N ATOM 1497 CA LEU A 100 1.153 1.672 6.016 1.00 0.00 C ATOM 1498 C LEU A 100 -0.352 1.465 5.946 1.00 0.00 C ATOM 1499 O LEU A 100 -1.106 2.416 5.779 1.00 0.00 O ATOM 1500 CB LEU A 100 1.813 1.045 4.781 1.00 0.00 C ATOM 1501 CG LEU A 100 1.591 1.762 3.454 1.00 0.00 C ATOM 1502 CD1 LEU A 100 2.202 3.154 3.490 1.00 0.00 C ATOM 1503 CD2 LEU A 100 2.177 0.950 2.320 1.00 0.00 C ATOM 0 H LEU A 100 2.412 0.362 7.037 1.00 0.00 H new ATOM 0 HA LEU A 100 1.365 2.741 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.886 0.985 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.449 0.022 4.682 1.00 0.00 H new ATOM 0 HG LEU A 100 0.519 1.867 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.033 3.650 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.738 3.735 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.273 3.076 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.013 1.471 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.247 0.819 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.694 -0.026 2.284 1.00 0.00 H new ATOM 1515 N ILE A 101 -0.771 0.225 6.138 1.00 0.00 N ATOM 1516 CA ILE A 101 -2.189 -0.144 6.096 1.00 0.00 C ATOM 1517 C ILE A 101 -2.991 0.616 7.151 1.00 0.00 C ATOM 1518 O ILE A 101 -4.076 1.122 6.854 1.00 0.00 O ATOM 1519 CB ILE A 101 -2.388 -1.686 6.251 1.00 0.00 C ATOM 1520 CG1 ILE A 101 -1.791 -2.441 5.049 1.00 0.00 C ATOM 1521 CG2 ILE A 101 -3.856 -2.065 6.462 1.00 0.00 C ATOM 1522 CD1 ILE A 101 -2.368 -2.044 3.700 1.00 0.00 C ATOM 0 H ILE A 101 -0.145 -0.557 6.327 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.567 0.141 5.114 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.850 -1.988 7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.714 -2.275 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.946 -3.510 5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.941 -3.147 6.564 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.229 -1.585 7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.444 -1.734 5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.888 -2.627 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.441 -2.237 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.189 -0.983 3.526 1.00 0.00 H new ATOM 1534 N GLY A 102 -2.419 0.746 8.351 1.00 0.00 N ATOM 1535 CA GLY A 102 -3.074 1.476 9.430 1.00 0.00 C ATOM 1536 C GLY A 102 -3.375 2.909 9.049 1.00 0.00 C ATOM 1537 O GLY A 102 -4.445 3.444 9.350 1.00 0.00 O ATOM 0 H GLY A 102 -1.509 0.356 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.002 0.970 9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.437 1.463 10.314 1.00 0.00 H new ATOM 1541 N ILE A 103 -2.443 3.508 8.361 1.00 0.00 N ATOM 1542 CA ILE A 103 -2.575 4.863 7.888 1.00 0.00 C ATOM 1543 C ILE A 103 -3.613 4.931 6.779 1.00 0.00 C ATOM 1544 O ILE A 103 -4.486 5.799 6.794 1.00 0.00 O ATOM 1545 CB ILE A 103 -1.218 5.374 7.373 1.00 0.00 C ATOM 1546 CG1 ILE A 103 -0.212 5.353 8.521 1.00 0.00 C ATOM 1547 CG2 ILE A 103 -1.349 6.784 6.778 1.00 0.00 C ATOM 1548 CD1 ILE A 103 1.211 5.498 8.083 1.00 0.00 C ATOM 0 H ILE A 103 -1.559 3.066 8.109 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.901 5.495 8.714 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.866 4.721 6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.452 6.158 9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.320 4.417 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.375 7.121 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.053 6.764 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.712 7.470 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.864 5.474 8.955 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.470 4.679 7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.336 6.447 7.562 1.00 0.00 H new ATOM 1560 N ILE A 104 -3.540 3.984 5.851 1.00 0.00 N ATOM 1561 CA ILE A 104 -4.437 3.962 4.709 1.00 0.00 C ATOM 1562 C ILE A 104 -5.886 3.817 5.158 1.00 0.00 C ATOM 1563 O ILE A 104 -6.729 4.640 4.792 1.00 0.00 O ATOM 1564 CB ILE A 104 -4.077 2.796 3.741 1.00 0.00 C ATOM 1565 CG1 ILE A 104 -2.666 2.991 3.185 1.00 0.00 C ATOM 1566 CG2 ILE A 104 -5.093 2.696 2.597 1.00 0.00 C ATOM 1567 CD1 ILE A 104 -2.151 1.819 2.373 1.00 0.00 C ATOM 0 H ILE A 104 -2.865 3.220 5.870 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.320 4.910 4.183 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.110 1.863 4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.654 3.884 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.982 3.172 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.817 1.874 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.086 2.514 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.098 3.629 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.145 2.038 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.128 0.926 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.810 1.649 1.521 1.00 0.00 H new ATOM 1579 N GLU A 105 -6.168 2.829 5.999 1.00 0.00 N ATOM 1580 CA GLU A 105 -7.520 2.657 6.466 1.00 0.00 C ATOM 1581 C GLU A 105 -7.951 3.795 7.364 1.00 0.00 C ATOM 1582 O GLU A 105 -9.046 4.320 7.209 1.00 0.00 O ATOM 1583 CB GLU A 105 -7.805 1.286 7.087 1.00 0.00 C ATOM 1584 CG GLU A 105 -6.983 0.908 8.300 1.00 0.00 C ATOM 1585 CD GLU A 105 -7.537 -0.328 8.953 1.00 0.00 C ATOM 1586 OE1 GLU A 105 -7.227 -1.440 8.511 1.00 0.00 O ATOM 1587 OE2 GLU A 105 -8.348 -0.183 9.895 1.00 0.00 O ATOM 0 H GLU A 105 -5.492 2.155 6.359 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.140 2.688 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.858 1.250 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.651 0.526 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.948 0.737 8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.979 1.732 9.014 1.00 0.00 H new ATOM 1594 N GLY A 106 -7.055 4.215 8.255 1.00 0.00 N ATOM 1595 CA GLY A 106 -7.353 5.269 9.201 1.00 0.00 C ATOM 1596 C GLY A 106 -7.718 6.571 8.528 1.00 0.00 C ATOM 1597 O GLY A 106 -8.685 7.222 8.924 1.00 0.00 O ATOM 0 H GLY A 106 -6.112 3.833 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.176 4.954 9.843 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.489 5.428 9.846 1.00 0.00 H new ATOM 1601 N ASN A 107 -6.995 6.911 7.472 1.00 0.00 N ATOM 1602 CA ASN A 107 -7.239 8.145 6.715 1.00 0.00 C ATOM 1603 C ASN A 107 -8.612 8.092 6.068 1.00 0.00 C ATOM 1604 O ASN A 107 -9.358 9.080 6.067 1.00 0.00 O ATOM 1605 CB ASN A 107 -6.155 8.332 5.642 1.00 0.00 C ATOM 1606 CG ASN A 107 -6.325 9.598 4.803 1.00 0.00 C ATOM 1607 OD1 ASN A 107 -6.963 9.476 3.663 1.00 0.00 O flip ATOM 1608 ND2 ASN A 107 -5.856 10.668 5.168 1.00 0.00 N flip ATOM 0 H ASN A 107 -6.225 6.348 7.111 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.203 8.993 7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.179 8.357 6.126 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.160 7.466 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.365 10.732 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.956 11.496 4.580 1.00 0.00 H new ATOM 1615 N ILE A 108 -8.961 6.919 5.561 1.00 0.00 N ATOM 1616 CA ILE A 108 -10.264 6.705 4.967 1.00 0.00 C ATOM 1617 C ILE A 108 -11.340 6.852 6.032 1.00 0.00 C ATOM 1618 O ILE A 108 -12.327 7.519 5.816 1.00 0.00 O ATOM 1619 CB ILE A 108 -10.382 5.305 4.320 1.00 0.00 C ATOM 1620 CG1 ILE A 108 -9.372 5.147 3.193 1.00 0.00 C ATOM 1621 CG2 ILE A 108 -11.790 5.093 3.783 1.00 0.00 C ATOM 1622 CD1 ILE A 108 -9.233 3.733 2.704 1.00 0.00 C ATOM 0 H ILE A 108 -8.354 6.100 5.551 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.395 7.452 4.184 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.173 4.556 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.668 5.784 2.359 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.400 5.502 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.862 4.104 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.507 5.170 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.012 5.853 3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.497 3.696 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.907 3.095 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.195 3.381 2.331 1.00 0.00 H new ATOM 1634 N ARG A 109 -11.107 6.260 7.200 1.00 0.00 N ATOM 1635 CA ARG A 109 -12.067 6.310 8.296 1.00 0.00 C ATOM 1636 C ARG A 109 -12.365 7.747 8.719 1.00 0.00 C ATOM 1637 O ARG A 109 -13.483 8.056 9.081 1.00 0.00 O ATOM 1638 CB ARG A 109 -11.600 5.477 9.496 1.00 0.00 C ATOM 1639 CG ARG A 109 -11.276 4.038 9.138 1.00 0.00 C ATOM 1640 CD ARG A 109 -11.010 3.179 10.365 1.00 0.00 C ATOM 1641 NE ARG A 109 -10.589 1.805 10.012 1.00 0.00 N ATOM 1642 CZ ARG A 109 -11.404 0.796 9.664 1.00 0.00 C ATOM 1643 NH1 ARG A 109 -12.700 1.019 9.403 1.00 0.00 N ATOM 1644 NH2 ARG A 109 -10.901 -0.415 9.517 1.00 0.00 N ATOM 0 H ARG A 109 -10.257 5.738 7.411 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.993 5.872 7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.716 5.944 9.932 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.376 5.488 10.261 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.105 3.612 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.402 4.017 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.236 3.648 10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.912 3.134 10.976 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.589 1.606 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.078 1.964 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.308 0.243 9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -9.905 -0.575 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.508 -1.191 9.253 1.00 0.00 H new ATOM 1658 N TYR A 110 -11.366 8.616 8.666 1.00 0.00 N ATOM 1659 CA TYR A 110 -11.594 10.020 8.979 1.00 0.00 C ATOM 1660 C TYR A 110 -12.395 10.715 7.878 1.00 0.00 C ATOM 1661 O TYR A 110 -13.370 11.386 8.155 1.00 0.00 O ATOM 1662 CB TYR A 110 -10.285 10.788 9.234 1.00 0.00 C ATOM 1663 CG TYR A 110 -9.526 10.357 10.470 1.00 0.00 C ATOM 1664 CD1 TYR A 110 -10.097 10.473 11.731 1.00 0.00 C ATOM 1665 CD2 TYR A 110 -8.235 9.860 10.380 1.00 0.00 C ATOM 1666 CE1 TYR A 110 -9.403 10.100 12.865 1.00 0.00 C ATOM 1667 CE2 TYR A 110 -7.535 9.482 11.508 1.00 0.00 C ATOM 1668 CZ TYR A 110 -8.123 9.604 12.747 1.00 0.00 C ATOM 1669 OH TYR A 110 -7.428 9.233 13.872 1.00 0.00 O ATOM 0 H TYR A 110 -10.406 8.381 8.414 1.00 0.00 H new ATOM 0 HA TYR A 110 -12.174 10.032 9.902 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.636 10.669 8.366 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -10.514 11.850 9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -11.100 10.861 11.826 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -7.769 9.767 9.410 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.861 10.196 13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -6.532 9.093 11.419 1.00 0.00 H new ATOM 0 HH TYR A 110 -6.542 8.903 13.615 1.00 0.00 H new ATOM 1679 N ALA A 111 -11.959 10.560 6.638 1.00 0.00 N ATOM 1680 CA ALA A 111 -12.613 11.213 5.500 1.00 0.00 C ATOM 1681 C ALA A 111 -14.030 10.672 5.217 1.00 0.00 C ATOM 1682 O ALA A 111 -14.973 11.431 5.034 1.00 0.00 O ATOM 1683 CB ALA A 111 -11.740 11.090 4.256 1.00 0.00 C ATOM 0 H ALA A 111 -11.153 9.987 6.387 1.00 0.00 H new ATOM 0 HA ALA A 111 -12.733 12.263 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.234 11.578 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.777 11.568 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.584 10.037 4.024 1.00 0.00 H new ATOM 1689 N ASN A 112 -14.144 9.365 5.168 1.00 0.00 N ATOM 1690 CA ASN A 112 -15.393 8.674 4.824 1.00 0.00 C ATOM 1691 C ASN A 112 -16.347 8.652 6.015 1.00 0.00 C ATOM 1692 O ASN A 112 -17.552 8.788 5.842 1.00 0.00 O ATOM 1693 CB ASN A 112 -15.052 7.234 4.340 1.00 0.00 C ATOM 1694 CG ASN A 112 -16.194 6.387 3.722 1.00 0.00 C ATOM 1695 OD1 ASN A 112 -17.415 6.531 4.174 1.00 0.00 O flip ATOM 1696 ND2 ASN A 112 -15.932 5.581 2.831 1.00 0.00 N flip ATOM 0 H ASN A 112 -13.369 8.732 5.366 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.900 9.209 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.254 7.310 3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.649 6.683 5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.974 5.486 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.673 5.007 2.428 1.00 0.00 H new