USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 494 hydrogens (19 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 NoAdj-H: A1148 2MR HXT : A1148 2MR OXT : A1148 2MR C :(short bond) USER MOD Set 1.1: A 127 TYR OH : rot -163:sc= 1.29 USER MOD Set 1.2: A 136 GLN : amide:sc= 0.0357 K(o=1.3,f=-1.8!) USER MOD Set 2.1: A 112 THR OG1 : rot 74:sc= 0.159 USER MOD Set 2.2: A 128 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.04) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -13:sc= 0.916 USER MOD Single : A 99 SER OG : rot 139:sc= -0.988! USER MOD Single : A 103 SER OG : rot 139:sc= 0.68 USER MOD Single : A 107 CYS SG : rot 52:sc= -0.123 USER MOD Single : A 109 TYR OH : rot 54:sc= 1.18 USER MOD Single : A 115 SER OG : rot 180:sc=-0.000346 USER MOD Single : A 119 LYS NZ :NH3+ 161:sc= -0.073 (180deg=-0.521) USER MOD Single : A 122 THR OG1 : rot 159:sc= 1.26 USER MOD Single : A 123 CYS SG : rot -14:sc= -4.06! USER MOD Single : A 130 TYR OH : rot -126:sc= 0.281 USER MOD Single : A 132 ASN : amide:sc= -2.48! X(o=-2.5!,f=-2) USER MOD Single : A 137 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.21) USER MOD Single : A 139 SER OG : rot 180:sc= 0.134 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 84 -19.692 -8.653 -1.495 1.00 0.00 N ATOM 2 CA ASN A 84 -20.247 -9.532 -2.530 1.00 0.00 C ATOM 3 C ASN A 84 -19.152 -10.141 -3.387 1.00 0.00 C ATOM 4 O ASN A 84 -19.175 -11.342 -3.649 1.00 0.00 O ATOM 5 CB ASN A 84 -21.303 -8.823 -3.407 1.00 0.00 C ATOM 6 CG ASN A 84 -21.782 -9.689 -4.570 1.00 0.00 C ATOM 7 OD1 ASN A 84 -21.223 -9.641 -5.669 1.00 0.00 O ATOM 8 ND2 ASN A 84 -22.805 -10.471 -4.356 1.00 0.00 N ATOM 0 HA ASN A 84 -20.758 -10.339 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -22.157 -8.548 -2.788 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -20.882 -7.897 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -23.161 -11.062 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -23.248 -10.491 -3.438 1.00 0.00 H new ATOM 17 N THR A 85 -18.198 -9.346 -3.820 1.00 0.00 N ATOM 18 CA THR A 85 -17.121 -9.869 -4.612 1.00 0.00 C ATOM 19 C THR A 85 -16.109 -10.604 -3.733 1.00 0.00 C ATOM 20 O THR A 85 -15.927 -10.277 -2.547 1.00 0.00 O ATOM 21 CB THR A 85 -16.421 -8.774 -5.469 1.00 0.00 C ATOM 22 OG1 THR A 85 -15.342 -9.349 -6.233 1.00 0.00 O ATOM 23 CG2 THR A 85 -15.879 -7.672 -4.601 1.00 0.00 C ATOM 0 H THR A 85 -18.151 -8.344 -3.636 1.00 0.00 H new ATOM 0 HA THR A 85 -17.559 -10.581 -5.311 1.00 0.00 H new ATOM 0 HB THR A 85 -17.167 -8.356 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.912 -8.650 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.395 -6.921 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 85 -16.696 -7.211 -4.046 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.152 -8.084 -3.901 1.00 0.00 H new ATOM 31 N ALA A 86 -15.479 -11.595 -4.307 1.00 0.00 N ATOM 32 CA ALA A 86 -14.472 -12.371 -3.634 1.00 0.00 C ATOM 33 C ALA A 86 -13.175 -11.591 -3.625 1.00 0.00 C ATOM 34 O ALA A 86 -12.284 -11.824 -2.803 1.00 0.00 O ATOM 35 CB ALA A 86 -14.287 -13.703 -4.338 1.00 0.00 C ATOM 0 H ALA A 86 -15.654 -11.889 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 86 -14.781 -12.568 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -13.523 -14.284 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -15.228 -14.253 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -13.977 -13.530 -5.369 1.00 0.00 H new ATOM 41 N ALA A 87 -13.077 -10.649 -4.533 1.00 0.00 N ATOM 42 CA ALA A 87 -11.924 -9.829 -4.626 1.00 0.00 C ATOM 43 C ALA A 87 -12.106 -8.611 -3.758 1.00 0.00 C ATOM 44 O ALA A 87 -12.682 -7.609 -4.160 1.00 0.00 O ATOM 45 CB ALA A 87 -11.633 -9.448 -6.055 1.00 0.00 C ATOM 0 H ALA A 87 -13.801 -10.441 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.061 -10.391 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.743 -8.820 -6.090 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.464 -10.349 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.481 -8.899 -6.465 1.00 0.00 H new ATOM 51 N SER A 88 -11.657 -8.727 -2.562 1.00 0.00 N ATOM 52 CA SER A 88 -11.752 -7.674 -1.592 1.00 0.00 C ATOM 53 C SER A 88 -10.385 -7.024 -1.433 1.00 0.00 C ATOM 54 O SER A 88 -10.055 -6.471 -0.396 1.00 0.00 O ATOM 55 CB SER A 88 -12.239 -8.266 -0.281 1.00 0.00 C ATOM 56 OG SER A 88 -13.460 -8.963 -0.494 1.00 0.00 O ATOM 0 H SER A 88 -11.202 -9.570 -2.213 1.00 0.00 H new ATOM 0 HA SER A 88 -12.459 -6.909 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.488 -8.944 0.124 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.384 -7.475 0.455 1.00 0.00 H new ATOM 0 HG SER A 88 -13.771 -9.345 0.353 1.00 0.00 H new ATOM 62 N LEU A 89 -9.632 -7.023 -2.525 1.00 0.00 N ATOM 63 CA LEU A 89 -8.286 -6.478 -2.563 1.00 0.00 C ATOM 64 C LEU A 89 -8.402 -4.982 -2.918 1.00 0.00 C ATOM 65 O LEU A 89 -7.447 -4.255 -3.050 1.00 0.00 O ATOM 66 CB LEU A 89 -7.462 -7.299 -3.587 1.00 0.00 C ATOM 67 CG LEU A 89 -5.928 -7.342 -3.423 1.00 0.00 C ATOM 68 CD1 LEU A 89 -5.379 -8.508 -4.198 1.00 0.00 C ATOM 69 CD2 LEU A 89 -5.274 -6.084 -3.930 1.00 0.00 C ATOM 0 H LEU A 89 -9.944 -7.405 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.767 -6.550 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.828 -8.325 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.680 -6.907 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.712 -7.440 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.295 -8.542 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.813 -9.433 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.630 -8.395 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.195 -6.156 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.501 -5.957 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.653 -5.227 -3.373 1.00 0.00 H new ATOM 81 N GLN A 90 -9.622 -4.565 -3.056 1.00 0.00 N ATOM 82 CA GLN A 90 -9.977 -3.176 -3.279 1.00 0.00 C ATOM 83 C GLN A 90 -10.522 -2.596 -1.974 1.00 0.00 C ATOM 84 O GLN A 90 -10.958 -1.440 -1.902 1.00 0.00 O ATOM 85 CB GLN A 90 -11.026 -3.064 -4.400 1.00 0.00 C ATOM 86 CG GLN A 90 -12.309 -3.856 -4.147 1.00 0.00 C ATOM 87 CD GLN A 90 -13.321 -3.729 -5.271 1.00 0.00 C ATOM 88 OE1 GLN A 90 -14.174 -2.842 -5.265 1.00 0.00 O ATOM 89 NE2 GLN A 90 -13.255 -4.610 -6.233 1.00 0.00 N ATOM 0 H GLN A 90 -10.428 -5.189 -3.017 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.096 -2.615 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.283 -2.014 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.580 -3.407 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.058 -4.908 -4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.763 -3.513 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.537 -5.335 -6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.921 -4.573 -7.005 1.00 0.00 H new ATOM 98 N GLN A 91 -10.496 -3.421 -0.946 1.00 0.00 N ATOM 99 CA GLN A 91 -11.000 -3.064 0.358 1.00 0.00 C ATOM 100 C GLN A 91 -9.949 -3.368 1.394 1.00 0.00 C ATOM 101 O GLN A 91 -9.516 -4.509 1.539 1.00 0.00 O ATOM 102 CB GLN A 91 -12.274 -3.837 0.676 1.00 0.00 C ATOM 103 CG GLN A 91 -13.385 -3.628 -0.322 1.00 0.00 C ATOM 104 CD GLN A 91 -14.646 -4.346 0.070 1.00 0.00 C ATOM 105 OE1 GLN A 91 -14.865 -5.496 -0.306 1.00 0.00 O ATOM 106 NE2 GLN A 91 -15.482 -3.686 0.819 1.00 0.00 N ATOM 0 H GLN A 91 -10.119 -4.368 -0.997 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.235 -2.000 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -12.039 -4.900 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.628 -3.543 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.591 -2.562 -0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.060 -3.977 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.263 -2.733 1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.355 -4.122 1.115 1.00 0.00 H new ATOM 115 N TRP A 92 -9.516 -2.364 2.082 1.00 0.00 N ATOM 116 CA TRP A 92 -8.478 -2.493 3.073 1.00 0.00 C ATOM 117 C TRP A 92 -8.875 -1.716 4.296 1.00 0.00 C ATOM 118 O TRP A 92 -9.829 -0.930 4.239 1.00 0.00 O ATOM 119 CB TRP A 92 -7.152 -1.959 2.537 1.00 0.00 C ATOM 120 CG TRP A 92 -6.627 -2.679 1.336 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.980 -2.466 0.045 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.638 -3.716 1.314 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.296 -3.307 -0.772 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.460 -4.083 -0.028 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.890 -4.369 2.294 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.566 -5.073 -0.421 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -4.000 -5.348 1.901 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.844 -5.690 0.553 1.00 0.00 C ATOM 0 H TRP A 92 -9.873 -1.414 1.977 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.350 -3.547 3.321 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.275 -0.905 2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -6.407 -2.013 3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.701 -1.733 -0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.393 -3.351 -1.786 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.005 -4.114 3.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.449 -5.342 -1.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.412 -5.860 2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -3.136 -6.459 0.281 1.00 0.00 H new ATOM 139 N LYS A 93 -8.218 -1.958 5.406 1.00 0.00 N ATOM 140 CA LYS A 93 -8.478 -1.188 6.596 1.00 0.00 C ATOM 141 C LYS A 93 -7.170 -0.695 7.158 1.00 0.00 C ATOM 142 O LYS A 93 -6.124 -1.307 6.928 1.00 0.00 O ATOM 143 CB LYS A 93 -9.258 -1.988 7.642 1.00 0.00 C ATOM 144 CG LYS A 93 -8.476 -3.068 8.357 1.00 0.00 C ATOM 145 CD LYS A 93 -9.449 -3.935 9.166 1.00 0.00 C ATOM 146 CE LYS A 93 -8.783 -5.078 9.922 1.00 0.00 C ATOM 147 NZ LYS A 93 -8.245 -6.126 9.027 1.00 0.00 N ATOM 0 H LYS A 93 -7.503 -2.679 5.508 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.106 -0.338 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.649 -1.294 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.117 -2.449 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.935 -3.681 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.732 -2.621 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -9.977 -3.301 9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.198 -4.348 8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.973 -4.679 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.506 -5.526 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.990 -6.964 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -8.966 -6.386 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.400 -5.766 8.539 1.00 0.00 H new ATOM 161 N VAL A 94 -7.220 0.403 7.847 1.00 0.00 N ATOM 162 CA VAL A 94 -6.053 0.991 8.453 1.00 0.00 C ATOM 163 C VAL A 94 -5.482 0.053 9.507 1.00 0.00 C ATOM 164 O VAL A 94 -6.218 -0.501 10.319 1.00 0.00 O ATOM 165 CB VAL A 94 -6.388 2.365 9.079 1.00 0.00 C ATOM 166 CG1 VAL A 94 -5.187 2.968 9.764 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.891 3.314 8.023 1.00 0.00 C ATOM 0 H VAL A 94 -8.080 0.927 8.010 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.305 1.147 7.676 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.166 2.203 9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.459 3.933 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.848 2.302 10.557 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.385 3.106 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.122 4.276 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.124 3.449 7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.791 2.904 7.564 1.00 0.00 H new ATOM 177 N GLY A 95 -4.199 -0.164 9.444 1.00 0.00 N ATOM 178 CA GLY A 95 -3.547 -1.014 10.398 1.00 0.00 C ATOM 179 C GLY A 95 -3.261 -2.365 9.822 1.00 0.00 C ATOM 180 O GLY A 95 -2.782 -3.270 10.519 1.00 0.00 O ATOM 0 H GLY A 95 -3.582 0.238 8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.615 -0.551 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -4.175 -1.120 11.282 1.00 0.00 H new ATOM 184 N ASP A 96 -3.554 -2.517 8.554 1.00 0.00 N ATOM 185 CA ASP A 96 -3.310 -3.764 7.885 1.00 0.00 C ATOM 186 C ASP A 96 -2.106 -3.630 7.025 1.00 0.00 C ATOM 187 O ASP A 96 -1.832 -2.543 6.492 1.00 0.00 O ATOM 188 CB ASP A 96 -4.481 -4.157 7.013 1.00 0.00 C ATOM 189 CG ASP A 96 -5.023 -5.512 7.345 1.00 0.00 C ATOM 190 OD1 ASP A 96 -5.788 -5.629 8.314 1.00 0.00 O ATOM 191 OD2 ASP A 96 -4.701 -6.489 6.638 1.00 0.00 O ATOM 0 H ASP A 96 -3.962 -1.790 7.967 1.00 0.00 H new ATOM 0 HA ASP A 96 -3.163 -4.533 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.274 -3.417 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.171 -4.141 5.968 1.00 0.00 H new ATOM 196 N LYS A 97 -1.356 -4.677 6.922 1.00 0.00 N ATOM 197 CA LYS A 97 -0.237 -4.702 6.064 1.00 0.00 C ATOM 198 C LYS A 97 -0.646 -4.967 4.654 1.00 0.00 C ATOM 199 O LYS A 97 -1.675 -5.599 4.386 1.00 0.00 O ATOM 200 CB LYS A 97 0.694 -5.750 6.524 1.00 0.00 C ATOM 201 CG LYS A 97 1.278 -5.430 7.843 1.00 0.00 C ATOM 202 CD LYS A 97 2.018 -6.595 8.354 1.00 0.00 C ATOM 203 CE LYS A 97 2.909 -6.198 9.498 1.00 0.00 C ATOM 204 NZ LYS A 97 3.625 -7.355 10.081 1.00 0.00 N ATOM 0 H LYS A 97 -1.511 -5.543 7.439 1.00 0.00 H new ATOM 0 HA LYS A 97 0.252 -3.728 6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.168 -6.703 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.493 -5.871 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.945 -4.572 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.490 -5.152 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.317 -7.362 8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.617 -7.031 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.634 -5.462 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.311 -5.717 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.226 -7.032 10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.935 -8.047 10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.218 -7.800 9.351 1.00 0.00 H new ATOM 218 N CYS A 98 0.163 -4.514 3.776 1.00 0.00 N ATOM 219 CA CYS A 98 -0.039 -4.650 2.384 1.00 0.00 C ATOM 220 C CYS A 98 1.300 -4.466 1.715 1.00 0.00 C ATOM 221 O CYS A 98 2.344 -4.428 2.382 1.00 0.00 O ATOM 222 CB CYS A 98 -1.037 -3.583 1.898 1.00 0.00 C ATOM 223 SG CYS A 98 -0.521 -1.900 2.258 1.00 0.00 S ATOM 0 H CYS A 98 1.021 -4.017 4.016 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.450 -5.630 2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.175 -3.690 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.006 -3.765 2.363 1.00 0.00 H new ATOM 0 HG CYS A 98 0.466 -1.920 3.104 1.00 0.00 H new ATOM 229 N SER A 99 1.282 -4.391 0.456 1.00 0.00 N ATOM 230 CA SER A 99 2.442 -4.100 -0.304 1.00 0.00 C ATOM 231 C SER A 99 2.127 -2.981 -1.246 1.00 0.00 C ATOM 232 O SER A 99 0.992 -2.877 -1.738 1.00 0.00 O ATOM 233 CB SER A 99 2.914 -5.331 -1.038 1.00 0.00 C ATOM 234 OG SER A 99 3.345 -6.320 -0.129 1.00 0.00 O ATOM 0 H SER A 99 0.442 -4.532 -0.105 1.00 0.00 H new ATOM 0 HA SER A 99 3.254 -3.790 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.106 -5.725 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.730 -5.068 -1.711 1.00 0.00 H new ATOM 0 HG SER A 99 3.032 -7.199 -0.429 1.00 0.00 H new ATOM 240 N ALA A 100 3.076 -2.131 -1.463 1.00 0.00 N ATOM 241 CA ALA A 100 2.880 -1.003 -2.309 1.00 0.00 C ATOM 242 C ALA A 100 4.055 -0.837 -3.228 1.00 0.00 C ATOM 243 O ALA A 100 5.150 -1.373 -2.963 1.00 0.00 O ATOM 244 CB ALA A 100 2.672 0.243 -1.475 1.00 0.00 C ATOM 0 H ALA A 100 4.010 -2.200 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 100 1.989 -1.164 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.523 1.100 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.794 0.115 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.549 0.413 -0.850 1.00 0.00 H new ATOM 250 N ILE A 101 3.827 -0.146 -4.307 1.00 0.00 N ATOM 251 CA ILE A 101 4.843 0.139 -5.273 1.00 0.00 C ATOM 252 C ILE A 101 5.473 1.467 -4.962 1.00 0.00 C ATOM 253 O ILE A 101 4.833 2.522 -5.093 1.00 0.00 O ATOM 254 CB ILE A 101 4.263 0.140 -6.713 1.00 0.00 C ATOM 255 CG1 ILE A 101 3.892 -1.280 -7.136 1.00 0.00 C ATOM 256 CG2 ILE A 101 5.225 0.776 -7.729 1.00 0.00 C ATOM 257 CD1 ILE A 101 5.066 -2.154 -7.477 1.00 0.00 C ATOM 0 H ILE A 101 2.913 0.241 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 101 5.601 -0.643 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 101 3.363 0.755 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.327 -1.750 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.231 -1.227 -8.001 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.774 0.753 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.423 1.809 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.161 0.217 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.711 -3.143 -7.766 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.621 -1.711 -8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.718 -2.242 -6.608 1.00 0.00 H new ATOM 269 N TRP A 102 6.703 1.418 -4.543 1.00 0.00 N ATOM 270 CA TRP A 102 7.430 2.611 -4.206 1.00 0.00 C ATOM 271 C TRP A 102 7.680 3.369 -5.446 1.00 0.00 C ATOM 272 O TRP A 102 8.257 2.847 -6.374 1.00 0.00 O ATOM 273 CB TRP A 102 8.751 2.279 -3.551 1.00 0.00 C ATOM 274 CG TRP A 102 9.353 3.432 -2.807 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.689 4.426 -2.162 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.731 3.688 -2.607 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.576 5.270 -1.560 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.835 4.840 -1.815 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.881 3.061 -3.010 1.00 0.00 C ATOM 280 CZ2 TRP A 102 12.063 5.362 -1.426 1.00 0.00 C ATOM 281 CZ3 TRP A 102 13.083 3.587 -2.629 1.00 0.00 C ATOM 282 CH2 TRP A 102 13.164 4.726 -1.842 1.00 0.00 C ATOM 0 H TRP A 102 7.231 0.554 -4.425 1.00 0.00 H new ATOM 0 HA TRP A 102 6.840 3.198 -3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.607 1.447 -2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 102 9.452 1.943 -4.315 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.615 4.533 -2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.331 6.092 -1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.838 2.169 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 12.126 6.248 -0.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.994 3.103 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 102 14.134 5.107 -1.560 1.00 0.00 H new ATOM 293 N SER A 103 7.280 4.592 -5.443 1.00 0.00 N ATOM 294 CA SER A 103 7.388 5.459 -6.574 1.00 0.00 C ATOM 295 C SER A 103 8.817 5.673 -7.014 1.00 0.00 C ATOM 296 O SER A 103 9.090 5.985 -8.166 1.00 0.00 O ATOM 297 CB SER A 103 6.785 6.756 -6.183 1.00 0.00 C ATOM 298 OG SER A 103 5.419 6.601 -5.869 1.00 0.00 O ATOM 0 H SER A 103 6.854 5.035 -4.629 1.00 0.00 H new ATOM 0 HA SER A 103 6.874 5.005 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.316 7.164 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.896 7.473 -6.996 1.00 0.00 H new ATOM 0 HG SER A 103 5.203 7.135 -5.076 1.00 0.00 H new ATOM 304 N GLU A 104 9.709 5.468 -6.110 1.00 0.00 N ATOM 305 CA GLU A 104 11.083 5.744 -6.342 1.00 0.00 C ATOM 306 C GLU A 104 11.802 4.602 -7.059 1.00 0.00 C ATOM 307 O GLU A 104 12.577 4.848 -7.981 1.00 0.00 O ATOM 308 CB GLU A 104 11.683 6.052 -5.026 1.00 0.00 C ATOM 309 CG GLU A 104 10.932 7.173 -4.343 1.00 0.00 C ATOM 310 CD GLU A 104 11.415 8.540 -4.720 1.00 0.00 C ATOM 311 OE1 GLU A 104 11.037 9.058 -5.793 1.00 0.00 O ATOM 312 OE2 GLU A 104 12.191 9.131 -3.941 1.00 0.00 O ATOM 0 H GLU A 104 9.504 5.101 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 104 11.188 6.593 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.668 5.162 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.728 6.334 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.873 7.091 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.019 7.052 -3.263 1.00 0.00 H new ATOM 319 N ASP A 105 11.533 3.360 -6.674 1.00 0.00 N ATOM 320 CA ASP A 105 12.194 2.223 -7.373 1.00 0.00 C ATOM 321 C ASP A 105 11.230 1.512 -8.277 1.00 0.00 C ATOM 322 O ASP A 105 11.625 0.742 -9.139 1.00 0.00 O ATOM 323 CB ASP A 105 12.783 1.161 -6.411 1.00 0.00 C ATOM 324 CG ASP A 105 14.061 1.546 -5.703 1.00 0.00 C ATOM 325 OD1 ASP A 105 15.035 1.929 -6.354 1.00 0.00 O ATOM 326 OD2 ASP A 105 14.122 1.424 -4.461 1.00 0.00 O ATOM 0 H ASP A 105 10.896 3.103 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 105 13.008 2.680 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.031 0.924 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.966 0.248 -6.977 1.00 0.00 H new ATOM 331 N GLY A 106 9.957 1.756 -8.072 1.00 0.00 N ATOM 332 CA GLY A 106 8.926 1.108 -8.869 1.00 0.00 C ATOM 333 C GLY A 106 8.694 -0.322 -8.418 1.00 0.00 C ATOM 334 O GLY A 106 7.883 -1.041 -8.980 1.00 0.00 O ATOM 0 H GLY A 106 9.604 2.397 -7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.996 1.671 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.217 1.117 -9.919 1.00 0.00 H new ATOM 338 N CYS A 107 9.418 -0.722 -7.406 1.00 0.00 N ATOM 339 CA CYS A 107 9.392 -2.036 -6.885 1.00 0.00 C ATOM 340 C CYS A 107 8.343 -2.187 -5.789 1.00 0.00 C ATOM 341 O CYS A 107 7.832 -1.190 -5.256 1.00 0.00 O ATOM 342 CB CYS A 107 10.769 -2.331 -6.358 1.00 0.00 C ATOM 343 SG CYS A 107 12.080 -2.353 -7.597 1.00 0.00 S ATOM 0 H CYS A 107 10.063 -0.106 -6.912 1.00 0.00 H new ATOM 0 HA CYS A 107 9.117 -2.744 -7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 107 11.018 -1.586 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 107 10.749 -3.299 -5.857 1.00 0.00 H new ATOM 0 HG CYS A 107 12.038 -1.256 -8.293 1.00 0.00 H new ATOM 349 N ILE A 108 8.046 -3.426 -5.451 1.00 0.00 N ATOM 350 CA ILE A 108 7.083 -3.751 -4.428 1.00 0.00 C ATOM 351 C ILE A 108 7.775 -3.854 -3.086 1.00 0.00 C ATOM 352 O ILE A 108 8.785 -4.567 -2.934 1.00 0.00 O ATOM 353 CB ILE A 108 6.392 -5.100 -4.687 1.00 0.00 C ATOM 354 CG1 ILE A 108 5.900 -5.180 -6.126 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.238 -5.257 -3.717 1.00 0.00 C ATOM 356 CD1 ILE A 108 5.166 -6.464 -6.477 1.00 0.00 C ATOM 0 H ILE A 108 8.474 -4.243 -5.887 1.00 0.00 H new ATOM 0 HA ILE A 108 6.337 -2.956 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 108 7.105 -5.910 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.238 -4.336 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 108 6.754 -5.072 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.742 -6.211 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.615 -5.228 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.526 -4.445 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.853 -6.431 -7.521 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.829 -7.316 -6.324 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.289 -6.568 -5.839 1.00 0.00 H new ATOM 368 N TYR A 109 7.243 -3.175 -2.134 1.00 0.00 N ATOM 369 CA TYR A 109 7.779 -3.158 -0.803 1.00 0.00 C ATOM 370 C TYR A 109 6.660 -3.327 0.205 1.00 0.00 C ATOM 371 O TYR A 109 5.507 -2.972 -0.086 1.00 0.00 O ATOM 372 CB TYR A 109 8.505 -1.854 -0.542 1.00 0.00 C ATOM 373 CG TYR A 109 9.767 -1.644 -1.348 1.00 0.00 C ATOM 374 CD1 TYR A 109 9.737 -1.051 -2.598 1.00 0.00 C ATOM 375 CD2 TYR A 109 10.996 -1.984 -0.819 1.00 0.00 C ATOM 376 CE1 TYR A 109 10.899 -0.808 -3.294 1.00 0.00 C ATOM 377 CE2 TYR A 109 12.162 -1.756 -1.511 1.00 0.00 C ATOM 378 CZ TYR A 109 12.112 -1.165 -2.747 1.00 0.00 C ATOM 379 OH TYR A 109 13.281 -0.933 -3.434 1.00 0.00 O ATOM 0 H TYR A 109 6.407 -2.602 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 109 8.486 -3.982 -0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.822 -1.030 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.757 -1.804 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.788 -0.775 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.043 -2.439 0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 109 10.860 -0.339 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 109 13.112 -2.041 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 109 13.328 0.012 -3.690 1.00 0.00 H new ATOM 389 N PRO A 110 6.964 -3.891 1.385 1.00 0.00 N ATOM 390 CA PRO A 110 5.974 -4.075 2.437 1.00 0.00 C ATOM 391 C PRO A 110 5.591 -2.738 3.061 1.00 0.00 C ATOM 392 O PRO A 110 6.456 -1.935 3.443 1.00 0.00 O ATOM 393 CB PRO A 110 6.695 -4.950 3.463 1.00 0.00 C ATOM 394 CG PRO A 110 8.140 -4.665 3.258 1.00 0.00 C ATOM 395 CD PRO A 110 8.303 -4.371 1.797 1.00 0.00 C ATOM 0 HA PRO A 110 5.049 -4.518 2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 110 6.384 -4.706 4.479 1.00 0.00 H new ATOM 0 HB3 PRO A 110 6.474 -6.006 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 110 8.460 -3.817 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 110 8.751 -5.517 3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.070 -3.616 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.599 -5.260 1.240 1.00 0.00 H new ATOM 403 N ALA A 111 4.329 -2.495 3.163 1.00 0.00 N ATOM 404 CA ALA A 111 3.852 -1.270 3.702 1.00 0.00 C ATOM 405 C ALA A 111 2.616 -1.512 4.513 1.00 0.00 C ATOM 406 O ALA A 111 1.860 -2.425 4.243 1.00 0.00 O ATOM 407 CB ALA A 111 3.578 -0.281 2.596 1.00 0.00 C ATOM 0 H ALA A 111 3.597 -3.144 2.873 1.00 0.00 H new ATOM 0 HA ALA A 111 4.618 -0.850 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.213 0.652 3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.497 -0.091 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.825 -0.689 1.921 1.00 0.00 H new ATOM 413 N THR A 112 2.405 -0.708 5.482 1.00 0.00 N ATOM 414 CA THR A 112 1.270 -0.854 6.327 1.00 0.00 C ATOM 415 C THR A 112 0.381 0.356 6.170 1.00 0.00 C ATOM 416 O THR A 112 0.871 1.485 6.115 1.00 0.00 O ATOM 417 CB THR A 112 1.695 -1.016 7.789 1.00 0.00 C ATOM 418 OG1 THR A 112 2.628 -2.113 7.885 1.00 0.00 O ATOM 419 CG2 THR A 112 0.482 -1.305 8.673 1.00 0.00 C ATOM 0 H THR A 112 3.013 0.076 5.719 1.00 0.00 H new ATOM 0 HA THR A 112 0.723 -1.751 6.038 1.00 0.00 H new ATOM 0 HB THR A 112 2.161 -0.091 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.497 -1.836 7.526 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.805 -1.417 9.708 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.226 -0.479 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.001 -2.225 8.341 1.00 0.00 H new ATOM 427 N ILE A 113 -0.891 0.119 6.065 1.00 0.00 N ATOM 428 CA ILE A 113 -1.864 1.164 5.875 1.00 0.00 C ATOM 429 C ILE A 113 -1.911 2.088 7.090 1.00 0.00 C ATOM 430 O ILE A 113 -2.107 1.632 8.226 1.00 0.00 O ATOM 431 CB ILE A 113 -3.240 0.547 5.622 1.00 0.00 C ATOM 432 CG1 ILE A 113 -3.133 -0.434 4.455 1.00 0.00 C ATOM 433 CG2 ILE A 113 -4.247 1.643 5.298 1.00 0.00 C ATOM 434 CD1 ILE A 113 -4.307 -1.346 4.326 1.00 0.00 C ATOM 0 H ILE A 113 -1.293 -0.817 6.109 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.574 1.759 5.009 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.579 0.018 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.018 0.129 3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.231 -1.033 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.225 1.197 5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.312 2.336 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.925 2.181 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.158 -2.012 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -4.411 -1.936 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.211 -0.756 4.171 1.00 0.00 H new ATOM 446 N ALA A 114 -1.705 3.359 6.841 1.00 0.00 N ATOM 447 CA ALA A 114 -1.676 4.374 7.872 1.00 0.00 C ATOM 448 C ALA A 114 -2.981 5.143 7.919 1.00 0.00 C ATOM 449 O ALA A 114 -3.446 5.504 8.989 1.00 0.00 O ATOM 450 CB ALA A 114 -0.517 5.319 7.642 1.00 0.00 C ATOM 0 H ALA A 114 -1.550 3.725 5.902 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.543 3.877 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -0.506 6.078 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 114 0.418 4.760 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -0.628 5.801 6.670 1.00 0.00 H new ATOM 456 N SER A 115 -3.557 5.411 6.767 1.00 0.00 N ATOM 457 CA SER A 115 -4.825 6.097 6.689 1.00 0.00 C ATOM 458 C SER A 115 -5.456 5.813 5.339 1.00 0.00 C ATOM 459 O SER A 115 -4.739 5.585 4.369 1.00 0.00 O ATOM 460 CB SER A 115 -4.631 7.606 6.898 1.00 0.00 C ATOM 461 OG SER A 115 -3.722 8.150 5.943 1.00 0.00 O ATOM 0 H SER A 115 -3.160 5.160 5.862 1.00 0.00 H new ATOM 0 HA SER A 115 -5.487 5.737 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 115 -5.593 8.113 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.257 7.790 7.905 1.00 0.00 H new ATOM 0 HG SER A 115 -3.620 9.112 6.100 1.00 0.00 H new ATOM 467 N ILE A 116 -6.765 5.776 5.282 1.00 0.00 N ATOM 468 CA ILE A 116 -7.479 5.516 4.051 1.00 0.00 C ATOM 469 C ILE A 116 -8.462 6.634 3.760 1.00 0.00 C ATOM 470 O ILE A 116 -9.239 7.041 4.640 1.00 0.00 O ATOM 471 CB ILE A 116 -8.272 4.186 4.111 1.00 0.00 C ATOM 472 CG1 ILE A 116 -7.348 3.011 4.389 1.00 0.00 C ATOM 473 CG2 ILE A 116 -9.040 3.962 2.811 1.00 0.00 C ATOM 474 CD1 ILE A 116 -8.064 1.702 4.527 1.00 0.00 C ATOM 0 H ILE A 116 -7.369 5.926 6.090 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.728 5.450 3.264 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.986 4.257 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.620 2.934 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -6.789 3.208 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.591 3.023 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.739 4.784 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.339 3.919 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -7.341 0.911 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -8.772 1.760 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.600 1.482 3.604 1.00 0.00 H new ATOM 486 N ASP A 117 -8.413 7.126 2.559 1.00 0.00 N ATOM 487 CA ASP A 117 -9.355 8.094 2.082 1.00 0.00 C ATOM 488 C ASP A 117 -10.231 7.393 1.064 1.00 0.00 C ATOM 489 O ASP A 117 -9.810 7.134 -0.063 1.00 0.00 O ATOM 490 CB ASP A 117 -8.655 9.298 1.451 1.00 0.00 C ATOM 491 CG ASP A 117 -9.640 10.382 1.047 1.00 0.00 C ATOM 492 OD1 ASP A 117 -10.409 10.173 0.109 1.00 0.00 O ATOM 493 OD2 ASP A 117 -9.665 11.460 1.701 1.00 0.00 O ATOM 0 H ASP A 117 -7.707 6.862 1.872 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.947 8.481 2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.933 9.709 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.094 8.973 0.575 1.00 0.00 H new ATOM 498 N PHE A 118 -11.421 7.060 1.463 1.00 0.00 N ATOM 499 CA PHE A 118 -12.337 6.307 0.622 1.00 0.00 C ATOM 500 C PHE A 118 -12.939 7.171 -0.475 1.00 0.00 C ATOM 501 O PHE A 118 -13.461 6.658 -1.459 1.00 0.00 O ATOM 502 CB PHE A 118 -13.445 5.674 1.460 1.00 0.00 C ATOM 503 CG PHE A 118 -12.977 4.615 2.432 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.586 4.953 3.717 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.941 3.281 2.060 1.00 0.00 C ATOM 506 CE1 PHE A 118 -12.169 3.984 4.611 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.524 2.306 2.947 1.00 0.00 C ATOM 508 CZ PHE A 118 -12.138 2.658 4.225 1.00 0.00 C ATOM 0 H PHE A 118 -11.797 7.298 2.381 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.758 5.517 0.144 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.954 6.460 2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.181 5.232 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.607 5.988 4.025 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -13.243 2.999 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.868 4.264 5.610 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -12.500 1.271 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.813 1.899 4.921 1.00 0.00 H new ATOM 518 N LYS A 119 -12.843 8.469 -0.312 1.00 0.00 N ATOM 519 CA LYS A 119 -13.387 9.402 -1.277 1.00 0.00 C ATOM 520 C LYS A 119 -12.529 9.422 -2.526 1.00 0.00 C ATOM 521 O LYS A 119 -13.040 9.521 -3.652 1.00 0.00 O ATOM 522 CB LYS A 119 -13.480 10.797 -0.679 1.00 0.00 C ATOM 523 CG LYS A 119 -14.294 10.850 0.590 1.00 0.00 C ATOM 524 CD LYS A 119 -14.312 12.238 1.176 1.00 0.00 C ATOM 525 CE LYS A 119 -15.015 12.257 2.520 1.00 0.00 C ATOM 526 NZ LYS A 119 -14.308 11.413 3.508 1.00 0.00 N ATOM 0 H LYS A 119 -12.389 8.909 0.488 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.392 9.075 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.475 11.164 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.921 11.471 -1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.315 10.528 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.881 10.152 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.290 12.600 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.815 12.919 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.072 13.281 2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.039 11.903 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.600 11.685 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.545 10.414 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.282 11.546 3.407 1.00 0.00 H new ATOM 540 N ARG A 120 -11.226 9.349 -2.326 1.00 0.00 N ATOM 541 CA ARG A 120 -10.277 9.311 -3.425 1.00 0.00 C ATOM 542 C ARG A 120 -9.925 7.875 -3.742 1.00 0.00 C ATOM 543 O ARG A 120 -9.251 7.597 -4.729 1.00 0.00 O ATOM 544 CB ARG A 120 -8.990 10.043 -3.033 1.00 0.00 C ATOM 545 CG ARG A 120 -9.184 11.481 -2.601 1.00 0.00 C ATOM 546 CD ARG A 120 -9.724 12.338 -3.717 1.00 0.00 C ATOM 547 NE ARG A 120 -9.940 13.724 -3.270 1.00 0.00 N ATOM 548 CZ ARG A 120 -10.586 14.679 -3.959 1.00 0.00 C ATOM 549 NH1 ARG A 120 -11.049 14.440 -5.186 1.00 0.00 N ATOM 550 NH2 ARG A 120 -10.759 15.873 -3.414 1.00 0.00 N ATOM 0 H ARG A 120 -10.796 9.314 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.730 9.792 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.510 9.496 -2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.304 10.022 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.869 11.516 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.233 11.888 -2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.028 12.328 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.663 11.919 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.566 13.982 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.914 13.523 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.538 15.174 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.403 16.062 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.249 16.603 -3.931 1.00 0.00 H new ATOM 564 N GLU A 121 -10.403 6.973 -2.884 1.00 0.00 N ATOM 565 CA GLU A 121 -10.146 5.525 -2.957 1.00 0.00 C ATOM 566 C GLU A 121 -8.652 5.237 -2.795 1.00 0.00 C ATOM 567 O GLU A 121 -8.131 4.197 -3.248 1.00 0.00 O ATOM 568 CB GLU A 121 -10.682 4.913 -4.258 1.00 0.00 C ATOM 569 CG GLU A 121 -12.170 5.119 -4.474 1.00 0.00 C ATOM 570 CD GLU A 121 -12.675 4.394 -5.686 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.301 4.760 -6.828 1.00 0.00 O ATOM 572 OE2 GLU A 121 -13.459 3.427 -5.533 1.00 0.00 O ATOM 0 H GLU A 121 -10.996 7.231 -2.096 1.00 0.00 H new ATOM 0 HA GLU A 121 -10.684 5.054 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -10.141 5.345 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.471 3.844 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.714 4.774 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -12.376 6.184 -4.579 1.00 0.00 H new ATOM 579 N THR A 122 -7.971 6.122 -2.111 1.00 0.00 N ATOM 580 CA THR A 122 -6.570 5.974 -1.911 1.00 0.00 C ATOM 581 C THR A 122 -6.255 5.861 -0.429 1.00 0.00 C ATOM 582 O THR A 122 -7.098 6.130 0.418 1.00 0.00 O ATOM 583 CB THR A 122 -5.753 7.126 -2.555 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.112 8.397 -1.992 1.00 0.00 O ATOM 585 CG2 THR A 122 -5.964 7.188 -4.056 1.00 0.00 C ATOM 0 H THR A 122 -8.377 6.955 -1.685 1.00 0.00 H new ATOM 0 HA THR A 122 -6.271 5.053 -2.412 1.00 0.00 H new ATOM 0 HB THR A 122 -4.704 6.915 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.386 9.038 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 122 -5.377 8.006 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.647 6.248 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.020 7.355 -4.268 1.00 0.00 H new ATOM 593 N CYS A 123 -5.085 5.434 -0.121 1.00 0.00 N ATOM 594 CA CYS A 123 -4.663 5.293 1.229 1.00 0.00 C ATOM 595 C CYS A 123 -3.190 5.546 1.335 1.00 0.00 C ATOM 596 O CYS A 123 -2.440 5.316 0.384 1.00 0.00 O ATOM 597 CB CYS A 123 -4.991 3.896 1.728 1.00 0.00 C ATOM 598 SG CYS A 123 -4.400 2.593 0.635 1.00 0.00 S ATOM 0 H CYS A 123 -4.381 5.168 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.189 6.022 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.553 3.758 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -6.071 3.803 1.843 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.078 3.105 -0.516 1.00 0.00 H new ATOM 604 N VAL A 124 -2.782 6.008 2.460 1.00 0.00 N ATOM 605 CA VAL A 124 -1.408 6.253 2.720 1.00 0.00 C ATOM 606 C VAL A 124 -0.858 5.051 3.440 1.00 0.00 C ATOM 607 O VAL A 124 -1.481 4.549 4.392 1.00 0.00 O ATOM 608 CB VAL A 124 -1.208 7.523 3.580 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.260 7.741 3.893 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.777 8.741 2.868 1.00 0.00 C ATOM 0 H VAL A 124 -3.401 6.231 3.239 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.885 6.419 1.778 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.742 7.381 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.373 8.640 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 124 0.646 6.882 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.817 7.857 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.628 9.626 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.268 8.875 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.843 8.595 2.693 1.00 0.00 H new ATOM 620 N VAL A 125 0.264 4.576 2.998 1.00 0.00 N ATOM 621 CA VAL A 125 0.877 3.432 3.588 1.00 0.00 C ATOM 622 C VAL A 125 2.285 3.786 4.031 1.00 0.00 C ATOM 623 O VAL A 125 2.943 4.643 3.435 1.00 0.00 O ATOM 624 CB VAL A 125 0.934 2.218 2.603 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.450 1.802 2.123 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.854 2.507 1.420 1.00 0.00 C ATOM 0 H VAL A 125 0.781 4.974 2.214 1.00 0.00 H new ATOM 0 HA VAL A 125 0.269 3.137 4.443 1.00 0.00 H new ATOM 0 HB VAL A 125 1.349 1.379 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.360 0.956 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.061 1.515 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.921 2.637 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.872 1.644 0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.486 3.377 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.862 2.706 1.783 1.00 0.00 H new ATOM 636 N VAL A 126 2.706 3.169 5.082 1.00 0.00 N ATOM 637 CA VAL A 126 4.017 3.353 5.624 1.00 0.00 C ATOM 638 C VAL A 126 4.843 2.137 5.319 1.00 0.00 C ATOM 639 O VAL A 126 4.471 1.028 5.681 1.00 0.00 O ATOM 640 CB VAL A 126 3.980 3.601 7.154 1.00 0.00 C ATOM 641 CG1 VAL A 126 5.391 3.568 7.746 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.313 4.939 7.445 1.00 0.00 C ATOM 0 H VAL A 126 2.136 2.504 5.605 1.00 0.00 H new ATOM 0 HA VAL A 126 4.460 4.237 5.165 1.00 0.00 H new ATOM 0 HB VAL A 126 3.400 2.805 7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.339 3.745 8.820 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.841 2.593 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.999 4.343 7.280 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.290 5.108 8.522 1.00 0.00 H new ATOM 0 HG22 VAL A 126 3.877 5.739 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.294 4.930 7.057 1.00 0.00 H new ATOM 652 N TYR A 127 5.933 2.348 4.644 1.00 0.00 N ATOM 653 CA TYR A 127 6.817 1.284 4.267 1.00 0.00 C ATOM 654 C TYR A 127 7.536 0.742 5.466 1.00 0.00 C ATOM 655 O TYR A 127 8.352 1.437 6.102 1.00 0.00 O ATOM 656 CB TYR A 127 7.791 1.731 3.202 1.00 0.00 C ATOM 657 CG TYR A 127 7.123 2.061 1.901 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.682 1.045 1.062 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.925 3.376 1.506 1.00 0.00 C ATOM 660 CE1 TYR A 127 6.069 1.326 -0.130 1.00 0.00 C ATOM 661 CE2 TYR A 127 6.299 3.660 0.318 1.00 0.00 C ATOM 662 CZ TYR A 127 5.877 2.629 -0.495 1.00 0.00 C ATOM 663 OH TYR A 127 5.223 2.900 -1.665 1.00 0.00 O ATOM 0 H TYR A 127 6.237 3.272 4.336 1.00 0.00 H new ATOM 0 HA TYR A 127 6.214 0.481 3.842 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.334 2.606 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.527 0.944 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.825 0.015 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.266 4.183 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.740 0.525 -0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 127 6.138 4.686 0.021 1.00 0.00 H new ATOM 0 HH TYR A 127 5.394 3.829 -1.928 1.00 0.00 H new ATOM 673 N THR A 128 7.231 -0.474 5.764 1.00 0.00 N ATOM 674 CA THR A 128 7.736 -1.158 6.895 1.00 0.00 C ATOM 675 C THR A 128 9.247 -1.367 6.777 1.00 0.00 C ATOM 676 O THR A 128 9.749 -1.812 5.739 1.00 0.00 O ATOM 677 CB THR A 128 7.014 -2.499 7.006 1.00 0.00 C ATOM 678 OG1 THR A 128 5.591 -2.266 7.090 1.00 0.00 O ATOM 679 CG2 THR A 128 7.484 -3.286 8.210 1.00 0.00 C ATOM 0 H THR A 128 6.596 -1.039 5.200 1.00 0.00 H new ATOM 0 HA THR A 128 7.560 -0.565 7.792 1.00 0.00 H new ATOM 0 HB THR A 128 7.243 -3.089 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 128 5.123 -3.124 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 128 6.948 -4.234 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.554 -3.477 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 128 7.289 -2.714 9.117 1.00 0.00 H new ATOM 687 N GLY A 129 9.960 -1.012 7.827 1.00 0.00 N ATOM 688 CA GLY A 129 11.388 -1.158 7.848 1.00 0.00 C ATOM 689 C GLY A 129 12.093 0.079 7.354 1.00 0.00 C ATOM 690 O GLY A 129 13.299 0.222 7.534 1.00 0.00 O ATOM 0 H GLY A 129 9.563 -0.618 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.714 -1.379 8.864 1.00 0.00 H new ATOM 0 HA3 GLY A 129 11.674 -2.009 7.229 1.00 0.00 H new ATOM 694 N TYR A 130 11.354 0.979 6.733 1.00 0.00 N ATOM 695 CA TYR A 130 11.953 2.180 6.215 1.00 0.00 C ATOM 696 C TYR A 130 11.382 3.387 6.924 1.00 0.00 C ATOM 697 O TYR A 130 12.123 4.252 7.383 1.00 0.00 O ATOM 698 CB TYR A 130 11.726 2.297 4.721 1.00 0.00 C ATOM 699 CG TYR A 130 12.199 1.105 3.915 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.531 0.959 3.578 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.303 0.143 3.479 1.00 0.00 C ATOM 702 CE1 TYR A 130 13.957 -0.113 2.826 1.00 0.00 C ATOM 703 CE2 TYR A 130 11.721 -0.931 2.733 1.00 0.00 C ATOM 704 CZ TYR A 130 13.047 -1.053 2.405 1.00 0.00 C ATOM 705 OH TYR A 130 13.472 -2.134 1.663 1.00 0.00 O ATOM 0 H TYR A 130 10.349 0.897 6.579 1.00 0.00 H new ATOM 0 HA TYR A 130 13.027 2.134 6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.661 2.442 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.236 3.189 4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.248 1.696 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.257 0.239 3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.001 -0.215 2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.010 -1.675 2.406 1.00 0.00 H new ATOM 0 HH TYR A 130 12.949 -2.189 0.836 1.00 0.00 H new ATOM 715 N GLY A 131 10.070 3.446 7.014 1.00 0.00 N ATOM 716 CA GLY A 131 9.434 4.531 7.722 1.00 0.00 C ATOM 717 C GLY A 131 8.872 5.613 6.824 1.00 0.00 C ATOM 718 O GLY A 131 8.401 6.634 7.320 1.00 0.00 O ATOM 0 H GLY A 131 9.431 2.762 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 131 8.628 4.127 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.157 4.979 8.403 1.00 0.00 H new ATOM 722 N ASN A 132 8.883 5.401 5.516 1.00 0.00 N ATOM 723 CA ASN A 132 8.319 6.421 4.615 1.00 0.00 C ATOM 724 C ASN A 132 6.877 6.169 4.439 1.00 0.00 C ATOM 725 O ASN A 132 6.400 5.065 4.694 1.00 0.00 O ATOM 726 CB ASN A 132 8.949 6.489 3.211 1.00 0.00 C ATOM 727 CG ASN A 132 10.317 7.138 3.132 1.00 0.00 C ATOM 728 OD1 ASN A 132 10.680 7.973 3.957 1.00 0.00 O ATOM 729 ND2 ASN A 132 11.053 6.808 2.094 1.00 0.00 N ATOM 0 H ASN A 132 9.258 4.570 5.059 1.00 0.00 H new ATOM 0 HA ASN A 132 8.535 7.372 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.026 5.475 2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.271 7.034 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.961 7.250 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 132 10.716 6.110 1.431 1.00 0.00 H new ATOM 736 N ARG A 133 6.189 7.143 3.971 1.00 0.00 N ATOM 737 CA ARG A 133 4.792 7.022 3.765 1.00 0.00 C ATOM 738 C ARG A 133 4.455 7.536 2.391 1.00 0.00 C ATOM 739 O ARG A 133 4.985 8.555 1.954 1.00 0.00 O ATOM 740 CB ARG A 133 4.002 7.697 4.915 1.00 0.00 C ATOM 741 CG ARG A 133 4.103 9.216 5.034 1.00 0.00 C ATOM 742 CD ARG A 133 3.082 9.928 4.163 1.00 0.00 C ATOM 743 NE ARG A 133 3.035 11.371 4.420 1.00 0.00 N ATOM 744 CZ ARG A 133 2.110 12.212 3.924 1.00 0.00 C ATOM 745 NH1 ARG A 133 1.291 11.819 2.959 1.00 0.00 N ATOM 746 NH2 ARG A 133 2.048 13.458 4.351 1.00 0.00 N ATOM 0 H ARG A 133 6.579 8.051 3.718 1.00 0.00 H new ATOM 0 HA ARG A 133 4.486 5.976 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 133 2.950 7.436 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.337 7.261 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 133 3.958 9.508 6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.106 9.535 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.322 9.757 3.114 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.096 9.498 4.339 1.00 0.00 H new ATOM 0 HE ARG A 133 3.758 11.767 5.020 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.359 10.872 2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.592 12.464 2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.703 13.787 5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.345 14.093 3.972 1.00 0.00 H new ATOM 760 N GLU A 134 3.627 6.822 1.713 1.00 0.00 N ATOM 761 CA GLU A 134 3.280 7.115 0.370 1.00 0.00 C ATOM 762 C GLU A 134 1.815 6.775 0.157 1.00 0.00 C ATOM 763 O GLU A 134 1.283 5.897 0.838 1.00 0.00 O ATOM 764 CB GLU A 134 4.229 6.328 -0.542 1.00 0.00 C ATOM 765 CG GLU A 134 3.895 6.337 -1.992 1.00 0.00 C ATOM 766 CD GLU A 134 5.120 6.162 -2.859 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.548 5.034 -3.129 1.00 0.00 O ATOM 768 OE2 GLU A 134 5.672 7.182 -3.305 1.00 0.00 O ATOM 0 H GLU A 134 3.161 5.996 2.089 1.00 0.00 H new ATOM 0 HA GLU A 134 3.393 8.173 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.235 6.728 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.254 5.293 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.184 5.539 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 134 3.404 7.277 -2.245 1.00 0.00 H new ATOM 775 N GLU A 135 1.169 7.466 -0.748 1.00 0.00 N ATOM 776 CA GLU A 135 -0.231 7.288 -0.971 1.00 0.00 C ATOM 777 C GLU A 135 -0.433 6.454 -2.204 1.00 0.00 C ATOM 778 O GLU A 135 0.114 6.743 -3.267 1.00 0.00 O ATOM 779 CB GLU A 135 -0.917 8.632 -1.134 1.00 0.00 C ATOM 780 CG GLU A 135 -2.430 8.547 -1.172 1.00 0.00 C ATOM 781 CD GLU A 135 -3.082 9.866 -1.441 1.00 0.00 C ATOM 782 OE1 GLU A 135 -2.767 10.859 -0.759 1.00 0.00 O ATOM 783 OE2 GLU A 135 -3.928 9.943 -2.357 1.00 0.00 O ATOM 0 H GLU A 135 1.605 8.166 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.669 6.781 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.620 9.283 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -0.566 9.099 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.729 7.836 -1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.791 8.157 -0.220 1.00 0.00 H new ATOM 790 N GLN A 136 -1.182 5.409 -2.038 1.00 0.00 N ATOM 791 CA GLN A 136 -1.439 4.443 -3.071 1.00 0.00 C ATOM 792 C GLN A 136 -2.939 4.215 -3.132 1.00 0.00 C ATOM 793 O GLN A 136 -3.647 4.562 -2.203 1.00 0.00 O ATOM 794 CB GLN A 136 -0.740 3.141 -2.692 1.00 0.00 C ATOM 795 CG GLN A 136 0.728 3.338 -2.316 1.00 0.00 C ATOM 796 CD GLN A 136 1.642 3.514 -3.512 1.00 0.00 C ATOM 797 OE1 GLN A 136 1.223 3.961 -4.592 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.896 3.255 -3.312 1.00 0.00 N ATOM 0 H GLN A 136 -1.647 5.194 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.073 4.789 -4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.266 2.684 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -0.805 2.444 -3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 136 0.815 4.212 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 136 1.064 2.479 -1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 136 3.204 2.888 -2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 136 3.575 3.418 -4.055 1.00 0.00 H new ATOM 807 N ASN A 137 -3.415 3.645 -4.196 1.00 0.00 N ATOM 808 CA ASN A 137 -4.850 3.366 -4.341 1.00 0.00 C ATOM 809 C ASN A 137 -5.150 2.067 -3.667 1.00 0.00 C ATOM 810 O ASN A 137 -4.337 1.154 -3.718 1.00 0.00 O ATOM 811 CB ASN A 137 -5.247 3.221 -5.813 1.00 0.00 C ATOM 812 CG ASN A 137 -4.887 4.397 -6.681 1.00 0.00 C ATOM 813 OD1 ASN A 137 -5.697 5.311 -6.899 1.00 0.00 O ATOM 814 ND2 ASN A 137 -3.671 4.407 -7.157 1.00 0.00 N ATOM 0 H ASN A 137 -2.846 3.355 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 137 -5.403 4.195 -3.901 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.770 2.329 -6.218 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.324 3.060 -5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.355 5.187 -7.733 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.037 3.634 -6.953 1.00 0.00 H new ATOM 821 N LEU A 138 -6.312 1.973 -3.072 1.00 0.00 N ATOM 822 CA LEU A 138 -6.772 0.747 -2.401 1.00 0.00 C ATOM 823 C LEU A 138 -6.780 -0.423 -3.371 1.00 0.00 C ATOM 824 O LEU A 138 -6.322 -1.503 -3.066 1.00 0.00 O ATOM 825 CB LEU A 138 -8.175 0.967 -1.856 1.00 0.00 C ATOM 826 CG LEU A 138 -8.298 2.026 -0.775 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.747 2.409 -0.588 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.724 1.505 0.529 1.00 0.00 C ATOM 0 H LEU A 138 -6.982 2.741 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.089 0.516 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -8.829 1.241 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.544 0.022 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 138 -7.737 2.910 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.825 3.169 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.142 2.805 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.321 1.530 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.816 2.271 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.271 0.614 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.672 1.256 0.390 1.00 0.00 H new ATOM 840 N SER A 139 -7.247 -0.162 -4.551 1.00 0.00 N ATOM 841 CA SER A 139 -7.338 -1.146 -5.581 1.00 0.00 C ATOM 842 C SER A 139 -5.982 -1.408 -6.256 1.00 0.00 C ATOM 843 O SER A 139 -5.835 -2.345 -7.041 1.00 0.00 O ATOM 844 CB SER A 139 -8.377 -0.652 -6.563 1.00 0.00 C ATOM 845 OG SER A 139 -8.302 0.781 -6.646 1.00 0.00 O ATOM 0 H SER A 139 -7.582 0.760 -4.830 1.00 0.00 H new ATOM 0 HA SER A 139 -7.633 -2.109 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.207 -1.095 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 139 -9.373 -0.959 -6.243 1.00 0.00 H new ATOM 0 HG SER A 139 -8.972 1.107 -7.282 1.00 0.00 H new ATOM 851 N ASP A 140 -4.988 -0.604 -5.922 1.00 0.00 N ATOM 852 CA ASP A 140 -3.663 -0.737 -6.529 1.00 0.00 C ATOM 853 C ASP A 140 -2.726 -1.442 -5.573 1.00 0.00 C ATOM 854 O ASP A 140 -1.640 -1.907 -5.968 1.00 0.00 O ATOM 855 CB ASP A 140 -3.094 0.631 -6.906 1.00 0.00 C ATOM 856 CG ASP A 140 -1.768 0.561 -7.628 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.736 0.202 -8.823 1.00 0.00 O ATOM 858 OD2 ASP A 140 -0.734 0.902 -7.024 1.00 0.00 O ATOM 0 H ASP A 140 -5.066 0.147 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.761 -1.328 -7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.814 1.152 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -2.974 1.226 -6.001 1.00 0.00 H new ATOM 863 N LEU A 141 -3.160 -1.539 -4.321 1.00 0.00 N ATOM 864 CA LEU A 141 -2.393 -2.187 -3.280 1.00 0.00 C ATOM 865 C LEU A 141 -2.153 -3.634 -3.602 1.00 0.00 C ATOM 866 O LEU A 141 -2.839 -4.235 -4.434 1.00 0.00 O ATOM 867 CB LEU A 141 -3.062 -2.065 -1.911 1.00 0.00 C ATOM 868 CG LEU A 141 -3.183 -0.662 -1.329 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.778 -0.723 0.060 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.835 0.026 -1.296 1.00 0.00 C ATOM 0 H LEU A 141 -4.056 -1.168 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.434 -1.670 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.063 -2.491 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.504 -2.679 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.845 -0.080 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.860 0.285 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.768 -1.176 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.136 -1.323 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.947 1.026 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.147 -0.551 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.439 0.100 -2.309 1.00 0.00 H new ATOM 882 N LEU A 142 -1.187 -4.178 -2.971 1.00 0.00 N ATOM 883 CA LEU A 142 -0.781 -5.516 -3.231 1.00 0.00 C ATOM 884 C LEU A 142 -0.774 -6.274 -1.932 1.00 0.00 C ATOM 885 O LEU A 142 -0.775 -5.660 -0.854 1.00 0.00 O ATOM 886 CB LEU A 142 0.614 -5.479 -3.855 1.00 0.00 C ATOM 887 CG LEU A 142 0.733 -4.630 -5.123 1.00 0.00 C ATOM 888 CD1 LEU A 142 2.173 -4.345 -5.453 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.040 -5.298 -6.299 1.00 0.00 C ATOM 0 H LEU A 142 -0.643 -3.707 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 142 -1.463 -6.014 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 142 1.317 -5.099 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.918 -6.499 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 142 0.234 -3.681 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.226 -3.740 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.635 -3.804 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.702 -5.284 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.142 -4.671 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 142 0.498 -6.269 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -1.017 -5.433 -6.070 1.00 0.00 H new ATOM 901 N SER A 143 -0.774 -7.569 -2.021 1.00 0.00 N ATOM 902 CA SER A 143 -0.773 -8.419 -0.856 1.00 0.00 C ATOM 903 C SER A 143 0.556 -8.279 -0.109 1.00 0.00 C ATOM 904 O SER A 143 1.629 -8.246 -0.743 1.00 0.00 O ATOM 905 CB SER A 143 -1.039 -9.858 -1.277 1.00 0.00 C ATOM 906 OG SER A 143 -2.240 -9.927 -2.039 1.00 0.00 O ATOM 0 H SER A 143 -0.775 -8.075 -2.907 1.00 0.00 H new ATOM 0 HA SER A 143 -1.567 -8.116 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 143 -0.202 -10.234 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.120 -10.495 -0.396 1.00 0.00 H new ATOM 0 HG SER A 143 -2.404 -10.855 -2.308 1.00 0.00 H new ATOM 912 N PRO A 144 0.500 -8.193 1.235 1.00 0.00 N ATOM 913 CA PRO A 144 1.664 -7.897 2.072 1.00 0.00 C ATOM 914 C PRO A 144 2.799 -8.886 1.952 1.00 0.00 C ATOM 915 O PRO A 144 2.595 -10.087 1.706 1.00 0.00 O ATOM 916 CB PRO A 144 1.125 -7.921 3.495 1.00 0.00 C ATOM 917 CG PRO A 144 -0.143 -8.701 3.415 1.00 0.00 C ATOM 918 CD PRO A 144 -0.708 -8.417 2.057 1.00 0.00 C ATOM 0 HA PRO A 144 2.097 -6.946 1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 144 1.834 -8.390 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 144 0.945 -6.912 3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 144 0.044 -9.767 3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -0.838 -8.400 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -1.301 -9.252 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -1.359 -7.542 2.065 1.00 0.00 H new ATOM 926 N ILE A 145 3.984 -8.374 2.097 1.00 0.00 N ATOM 927 CA ILE A 145 5.164 -9.178 2.132 1.00 0.00 C ATOM 928 C ILE A 145 5.463 -9.472 3.580 1.00 0.00 C ATOM 929 O ILE A 145 5.339 -8.590 4.446 1.00 0.00 O ATOM 930 CB ILE A 145 6.388 -8.465 1.501 1.00 0.00 C ATOM 931 CG1 ILE A 145 6.043 -7.956 0.095 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.596 -9.408 1.459 1.00 0.00 C ATOM 933 CD1 ILE A 145 7.185 -7.267 -0.632 1.00 0.00 C ATOM 0 H ILE A 145 4.159 -7.374 2.195 1.00 0.00 H new ATOM 0 HA ILE A 145 4.987 -10.084 1.553 1.00 0.00 H new ATOM 0 HB ILE A 145 6.649 -7.607 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 145 5.703 -8.798 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.207 -7.260 0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.446 -8.891 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.851 -9.718 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.351 -10.286 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.847 -6.942 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 145 7.513 -6.401 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.016 -7.963 -0.746 1.00 0.00 H new ATOM 945 N CYS A 146 5.888 -10.658 3.826 1.00 0.00 N ATOM 946 CA CYS A 146 6.172 -11.174 5.137 1.00 0.00 C ATOM 947 C CYS A 146 7.574 -10.742 5.597 1.00 0.00 C ATOM 948 O CYS A 146 8.330 -11.519 6.172 1.00 0.00 O ATOM 949 CB CYS A 146 6.094 -12.670 5.018 1.00 0.00 C ATOM 950 SG CYS A 146 4.524 -13.269 4.337 1.00 0.00 S ATOM 0 H CYS A 146 6.060 -11.339 3.086 1.00 0.00 H new ATOM 0 HA CYS A 146 5.465 -10.795 5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 146 6.910 -13.018 4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 146 6.244 -13.112 6.003 1.00 0.00 H new ATOM 0 HG CYS A 146 4.548 -14.567 4.269 1.00 0.00 H new ATOM 956 N GLU A 147 7.880 -9.499 5.364 1.00 0.00 N ATOM 957 CA GLU A 147 9.149 -8.935 5.690 1.00 0.00 C ATOM 958 C GLU A 147 9.012 -8.159 6.992 1.00 0.00 C ATOM 959 O GLU A 147 9.392 -8.690 8.047 1.00 0.00 O ATOM 960 CB GLU A 147 9.610 -8.039 4.539 1.00 0.00 C ATOM 961 CG GLU A 147 11.005 -7.463 4.688 1.00 0.00 C ATOM 962 CD GLU A 147 11.439 -6.698 3.465 1.00 0.00 C ATOM 963 OE1 GLU A 147 11.876 -7.326 2.490 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.367 -5.456 3.455 1.00 0.00 O ATOM 965 OXT GLU A 147 8.440 -7.039 6.986 1.00 0.00 O ATOM 0 H GLU A 147 7.236 -8.837 4.932 1.00 0.00 H new ATOM 0 HA GLU A 147 9.901 -9.712 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 147 9.568 -8.613 3.614 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.903 -7.216 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 147 11.033 -6.804 5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 147 11.711 -8.271 4.879 1.00 0.00 H new TER 972 GLU A 147 HETATM 973 N 2MR A1148 16.223 2.867 -3.492 1.00 0.00 N HETATM 974 CA 2MR A1148 16.326 3.118 -2.065 1.00 0.00 C HETATM 975 CB 2MR A1148 15.907 1.885 -1.271 1.00 0.00 C HETATM 976 CG 2MR A1148 15.875 2.054 0.243 1.00 0.00 C HETATM 977 CD 2MR A1148 14.599 2.728 0.670 1.00 0.00 C HETATM 978 NE 2MR A1148 13.452 1.948 0.216 1.00 0.00 N HETATM 979 CZ 2MR A1148 12.200 2.177 0.526 1.00 0.00 C HETATM 980 NH1 2MR A1148 11.914 3.230 1.350 1.00 0.00 N HETATM 981 CQ1 2MR A1148 10.636 3.733 1.871 1.00 0.00 C HETATM 982 NH2 2MR A1148 11.278 1.373 -0.040 1.00 0.00 N HETATM 983 CQ2 2MR A1148 9.835 1.346 0.079 1.00 0.00 C HETATM 984 C 2MR A1148 17.741 3.466 -1.776 1.00 0.00 C HETATM 985 O 2MR A1148 18.004 4.567 -1.275 1.00 0.00 O HETATM 986 OXT 2MR A1148 18.610 2.664 -2.111 1.00 0.00 O HETATM 0 HQ23 2MR A1148 9.559 1.177 1.120 1.00 0.00 H new HETATM 0 HQ22 2MR A1148 9.424 2.299 -0.255 1.00 0.00 H new HETATM 0 HQ21 2MR A1148 9.434 0.542 -0.538 1.00 0.00 H new HETATM 0 HQ13 2MR A1148 9.991 4.018 1.040 1.00 0.00 H new HETATM 0 HQ12 2MR A1148 10.149 2.953 2.456 1.00 0.00 H new HETATM 0 HQ11 2MR A1148 10.818 4.602 2.504 1.00 0.00 H new HETATM 0 HH2 2MR A1148 11.663 0.660 -0.659 1.00 0.00 H new HETATM 0 HG3 2MR A1148 15.958 1.080 0.726 1.00 0.00 H new HETATM 0 HG2 2MR A1148 16.732 2.645 0.567 1.00 0.00 H new HETATM 0 HE 2MR A1148 13.642 1.155 -0.397 1.00 0.00 H new HETATM 0 HD3 2MR A1148 14.576 2.828 1.755 1.00 0.00 H new HETATM 0 HD2 2MR A1148 14.553 3.735 0.256 1.00 0.00 H new HETATM 0 HB3 2MR A1148 14.915 1.580 -1.605 1.00 0.00 H new HETATM 0 HB2 2MR A1148 16.590 1.070 -1.513 1.00 0.00 H new HETATM 0 HA 2MR A1148 15.664 3.933 -1.773 1.00 0.00 H new HETATM 0 H2 2MR A1148 16.470 3.599 -4.158 1.00 0.00 H new HETATM 0 H 2MR A1148 15.904 1.958 -3.828 1.00 0.00 H new