USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot 180:sc= 0.824 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.0043 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -6.61! C(o=-10!,f=-11!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -3.64! C(o=-15!,f=-10!) USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -21.4! C(o=-31!,f=-29!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -6.66! C(o=-37!,f=-29!) USER MOD Set 3.3: A 85 GLN : amide:sc= -0.653! K(o=-29!,f=-31) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -10.5! C(o=-15!,f=-21!) USER MOD Set 4.2: A 57 TYR OH : rot -60:sc= -4.04! USER MOD Set 5.1: A 6 CYS SG : rot -26:sc= -20.9! USER MOD Set 5.2: A 9 ASN : amide:sc= -16.6! C(o=-78!,f=-81!) USER MOD Set 5.3: A 11 TYR OH : rot 48:sc= -6.17! USER MOD Set 5.4: A 103 CYS SG : rot -164:sc= -34.3! USER MOD Set 6.1: A 2 CYS SG : rot 180:sc= 0.784 USER MOD Set 6.2: A 10 CYS SG : rot 103:sc= -7.97! USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0444) USER MOD Single : A 4 TYR OH : rot -43:sc= 0.202 USER MOD Single : A 5 THR OG1 : rot -70:sc= 0.584 USER MOD Single : A 8 SER OG : rot 70:sc= 1.1 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0065 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 109:sc= 0.0153 USER MOD Single : A 20 GLN : amide:sc= -27.1! C(o=-27!,f=-36!) USER MOD Single : A 24 TYR OH : rot 106:sc= 0.572 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.28! C(o=-3.3!,f=-5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -4.88! C(o=-4.9!,f=-7.3!) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= -0.318 (180deg=-0.624) USER MOD Single : A 42 TYR OH : rot 55:sc= -1.1! USER MOD Single : A 43 ASN :FLIP amide:sc= -1.13 F(o=-4.6,f=-1.1) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.72! C(o=-5.5!,f=-1.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 5:sc= 1.27 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -49:sc= -12.7! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 46:sc= 0.472 USER MOD Single : A 84 ASN :FLIP amide:sc= -7.49! C(o=-14!,f=-7.5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -34.6! C(o=-35!,f=-49!) USER MOD Single : A 104 THR OG1 : rot -80:sc= -1.26! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.585 -13.793 -8.764 1.00 0.00 N ATOM 2 CA ALA A 1 -7.423 -14.570 -7.548 1.00 0.00 C ATOM 3 C ALA A 1 -6.398 -13.884 -6.642 1.00 0.00 C ATOM 4 O ALA A 1 -6.655 -13.666 -5.460 1.00 0.00 O ATOM 5 CB ALA A 1 -7.019 -16.002 -7.905 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.364 -14.189 -9.328 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.802 -12.806 -8.519 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.705 -13.827 -9.317 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.364 -14.624 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.898 -16.584 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.794 -16.455 -8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.078 -15.988 -8.454 1.00 0.00 H new ATOM 11 N CYS A 2 -5.256 -13.562 -7.232 1.00 0.00 N ATOM 12 CA CYS A 2 -4.191 -12.905 -6.495 1.00 0.00 C ATOM 13 C CYS A 2 -3.936 -11.538 -7.133 1.00 0.00 C ATOM 14 O CYS A 2 -2.832 -11.263 -7.600 1.00 0.00 O ATOM 15 CB CYS A 2 -2.923 -13.760 -6.452 1.00 0.00 C ATOM 16 SG CYS A 2 -3.094 -15.426 -7.188 1.00 0.00 S ATOM 0 H CYS A 2 -5.045 -13.744 -8.213 1.00 0.00 H new ATOM 0 HA CYS A 2 -4.495 -12.769 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.126 -13.229 -6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -2.610 -13.868 -5.414 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.962 -16.058 -7.098 1.00 0.00 H new ATOM 21 N ASP A 3 -4.977 -10.717 -7.132 1.00 0.00 N ATOM 22 CA ASP A 3 -4.880 -9.385 -7.706 1.00 0.00 C ATOM 23 C ASP A 3 -3.507 -8.794 -7.379 1.00 0.00 C ATOM 24 O ASP A 3 -2.974 -7.994 -8.147 1.00 0.00 O ATOM 25 CB ASP A 3 -5.946 -8.456 -7.122 1.00 0.00 C ATOM 26 CG ASP A 3 -7.391 -8.888 -7.379 1.00 0.00 C ATOM 27 OD1 ASP A 3 -7.718 -10.032 -6.996 1.00 0.00 O ATOM 28 OD2 ASP A 3 -8.136 -8.065 -7.955 1.00 0.00 O ATOM 0 H ASP A 3 -5.891 -10.948 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.025 -9.469 -8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.791 -8.381 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.802 -7.458 -7.535 1.00 0.00 H new ATOM 33 N TYR A 4 -2.974 -9.209 -6.240 1.00 0.00 N ATOM 34 CA TYR A 4 -1.674 -8.730 -5.802 1.00 0.00 C ATOM 35 C TYR A 4 -0.849 -9.864 -5.189 1.00 0.00 C ATOM 36 O TYR A 4 -1.198 -10.387 -4.132 1.00 0.00 O ATOM 37 CB TYR A 4 -1.952 -7.678 -4.728 1.00 0.00 C ATOM 38 CG TYR A 4 -2.801 -6.501 -5.213 1.00 0.00 C ATOM 39 CD1 TYR A 4 -2.214 -5.471 -5.917 1.00 0.00 C ATOM 40 CD2 TYR A 4 -4.155 -6.471 -4.946 1.00 0.00 C ATOM 41 CE1 TYR A 4 -3.012 -4.363 -6.374 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.955 -5.364 -5.403 1.00 0.00 C ATOM 43 CZ TYR A 4 -4.344 -4.364 -6.094 1.00 0.00 C ATOM 44 OH TYR A 4 -5.099 -3.318 -6.526 1.00 0.00 O ATOM 0 H TYR A 4 -3.419 -9.873 -5.606 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.110 -8.328 -6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.458 -8.156 -3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.002 -7.297 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.155 -5.495 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.615 -7.278 -4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.564 -3.550 -6.926 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.015 -5.329 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.621 -2.479 -6.361 1.00 0.00 H new ATOM 54 N THR A 5 0.229 -10.208 -5.877 1.00 0.00 N ATOM 55 CA THR A 5 1.105 -11.270 -5.414 1.00 0.00 C ATOM 56 C THR A 5 2.521 -10.734 -5.194 1.00 0.00 C ATOM 57 O THR A 5 3.250 -10.485 -6.154 1.00 0.00 O ATOM 58 CB THR A 5 1.039 -12.414 -6.427 1.00 0.00 C ATOM 59 OG1 THR A 5 0.110 -13.331 -5.855 1.00 0.00 O ATOM 60 CG2 THR A 5 2.345 -13.207 -6.502 1.00 0.00 C ATOM 0 H THR A 5 0.516 -9.770 -6.752 1.00 0.00 H new ATOM 0 HA THR A 5 0.782 -11.655 -4.447 1.00 0.00 H new ATOM 0 HB THR A 5 0.801 -12.012 -7.412 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.508 -13.748 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.243 -14.007 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.157 -12.543 -6.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.566 -13.637 -5.525 1.00 0.00 H new ATOM 68 N CYS A 6 2.869 -10.574 -3.926 1.00 0.00 N ATOM 69 CA CYS A 6 4.185 -10.072 -3.569 1.00 0.00 C ATOM 70 C CYS A 6 5.185 -11.224 -3.684 1.00 0.00 C ATOM 71 O CYS A 6 5.796 -11.621 -2.692 1.00 0.00 O ATOM 72 CB CYS A 6 4.192 -9.447 -2.172 1.00 0.00 C ATOM 73 SG CYS A 6 3.618 -7.711 -2.106 1.00 0.00 S ATOM 0 H CYS A 6 2.263 -10.783 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 6 4.471 -9.274 -4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.562 -10.049 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.205 -9.496 -1.773 1.00 0.00 H new ATOM 0 HG CYS A 6 3.818 -7.144 -3.259 1.00 0.00 H new ATOM 78 N GLY A 7 5.322 -11.728 -4.901 1.00 0.00 N ATOM 79 CA GLY A 7 6.238 -12.827 -5.158 1.00 0.00 C ATOM 80 C GLY A 7 5.580 -14.173 -4.848 1.00 0.00 C ATOM 81 O GLY A 7 5.631 -15.095 -5.660 1.00 0.00 O ATOM 0 H GLY A 7 4.814 -11.396 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.555 -12.805 -6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.135 -12.708 -4.550 1.00 0.00 H new ATOM 85 N SER A 8 4.978 -14.243 -3.670 1.00 0.00 N ATOM 86 CA SER A 8 4.311 -15.461 -3.242 1.00 0.00 C ATOM 87 C SER A 8 3.173 -15.123 -2.277 1.00 0.00 C ATOM 88 O SER A 8 3.063 -15.721 -1.207 1.00 0.00 O ATOM 89 CB SER A 8 5.298 -16.426 -2.582 1.00 0.00 C ATOM 90 OG SER A 8 5.355 -16.248 -1.170 1.00 0.00 O ATOM 0 H SER A 8 4.938 -13.476 -2.999 1.00 0.00 H new ATOM 0 HA SER A 8 3.898 -15.953 -4.123 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.007 -17.452 -2.807 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.291 -16.276 -3.007 1.00 0.00 H new ATOM 0 HG SER A 8 4.518 -16.560 -0.767 1.00 0.00 H new ATOM 96 N ASN A 9 2.354 -14.166 -2.690 1.00 0.00 N ATOM 97 CA ASN A 9 1.229 -13.742 -1.875 1.00 0.00 C ATOM 98 C ASN A 9 -0.054 -13.817 -2.706 1.00 0.00 C ATOM 99 O ASN A 9 -0.063 -14.402 -3.788 1.00 0.00 O ATOM 100 CB ASN A 9 1.403 -12.296 -1.405 1.00 0.00 C ATOM 101 CG ASN A 9 2.775 -12.091 -0.761 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.900 -11.806 0.418 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.796 -12.250 -1.600 1.00 0.00 N ATOM 0 H ASN A 9 2.448 -13.673 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 9 1.175 -14.399 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.290 -11.619 -2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.620 -12.046 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.753 -12.133 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.621 -12.489 -2.576 1.00 0.00 H new ATOM 110 N CYS A 10 -1.105 -13.217 -2.169 1.00 0.00 N ATOM 111 CA CYS A 10 -2.391 -13.209 -2.847 1.00 0.00 C ATOM 112 C CYS A 10 -3.339 -12.297 -2.068 1.00 0.00 C ATOM 113 O CYS A 10 -4.228 -12.775 -1.364 1.00 0.00 O ATOM 114 CB CYS A 10 -2.957 -14.621 -3.004 1.00 0.00 C ATOM 115 SG CYS A 10 -4.467 -14.734 -4.031 1.00 0.00 S ATOM 0 H CYS A 10 -1.093 -12.732 -1.272 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.269 -12.824 -3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.189 -15.258 -3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.177 -15.021 -2.014 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.159 -15.196 -5.207 1.00 0.00 H new ATOM 120 N TYR A 11 -3.120 -10.999 -2.219 1.00 0.00 N ATOM 121 CA TYR A 11 -3.945 -10.016 -1.537 1.00 0.00 C ATOM 122 C TYR A 11 -5.176 -9.660 -2.373 1.00 0.00 C ATOM 123 O TYR A 11 -5.462 -8.484 -2.595 1.00 0.00 O ATOM 124 CB TYR A 11 -3.072 -8.769 -1.381 1.00 0.00 C ATOM 125 CG TYR A 11 -1.635 -9.066 -0.948 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.365 -9.412 0.360 1.00 0.00 C ATOM 127 CD2 TYR A 11 -0.608 -8.987 -1.867 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.012 -9.691 0.767 1.00 0.00 C ATOM 129 CE2 TYR A 11 0.745 -9.268 -1.460 1.00 0.00 C ATOM 130 CZ TYR A 11 0.976 -9.605 -0.163 1.00 0.00 C ATOM 131 OH TYR A 11 2.254 -9.869 0.221 1.00 0.00 O ATOM 0 H TYR A 11 -2.383 -10.605 -2.804 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.294 -10.405 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.051 -8.232 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.532 -8.105 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.169 -9.474 1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.819 -8.715 -2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.213 -9.962 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.558 -9.212 -2.169 1.00 0.00 H new ATOM 0 HH TYR A 11 2.277 -10.708 0.726 1.00 0.00 H new ATOM 141 N SER A 12 -5.873 -10.697 -2.814 1.00 0.00 N ATOM 142 CA SER A 12 -7.067 -10.509 -3.620 1.00 0.00 C ATOM 143 C SER A 12 -7.720 -9.167 -3.282 1.00 0.00 C ATOM 144 O SER A 12 -7.598 -8.679 -2.159 1.00 0.00 O ATOM 145 CB SER A 12 -8.061 -11.652 -3.406 1.00 0.00 C ATOM 146 OG SER A 12 -7.783 -12.386 -2.218 1.00 0.00 O ATOM 0 H SER A 12 -5.633 -11.671 -2.628 1.00 0.00 H new ATOM 0 HA SER A 12 -6.775 -10.509 -4.670 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.072 -11.248 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.030 -12.325 -4.263 1.00 0.00 H new ATOM 0 HG SER A 12 -8.441 -13.105 -2.117 1.00 0.00 H new ATOM 152 N SER A 13 -8.399 -8.610 -4.273 1.00 0.00 N ATOM 153 CA SER A 13 -9.071 -7.334 -4.095 1.00 0.00 C ATOM 154 C SER A 13 -9.700 -7.264 -2.702 1.00 0.00 C ATOM 155 O SER A 13 -9.954 -6.177 -2.185 1.00 0.00 O ATOM 156 CB SER A 13 -10.139 -7.119 -5.170 1.00 0.00 C ATOM 157 OG SER A 13 -11.287 -7.934 -4.954 1.00 0.00 O ATOM 0 H SER A 13 -8.499 -9.019 -5.202 1.00 0.00 H new ATOM 0 HA SER A 13 -8.330 -6.541 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.436 -6.070 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.716 -7.341 -6.150 1.00 0.00 H new ATOM 0 HG SER A 13 -11.945 -7.766 -5.660 1.00 0.00 H new ATOM 163 N SER A 14 -9.933 -8.437 -2.133 1.00 0.00 N ATOM 164 CA SER A 14 -10.527 -8.523 -0.810 1.00 0.00 C ATOM 165 C SER A 14 -9.449 -8.344 0.261 1.00 0.00 C ATOM 166 O SER A 14 -9.743 -7.924 1.379 1.00 0.00 O ATOM 167 CB SER A 14 -11.251 -9.857 -0.617 1.00 0.00 C ATOM 168 OG SER A 14 -11.928 -9.920 0.636 1.00 0.00 O ATOM 0 H SER A 14 -9.721 -9.337 -2.564 1.00 0.00 H new ATOM 0 HA SER A 14 -11.262 -7.724 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.969 -10.000 -1.425 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.531 -10.673 -0.682 1.00 0.00 H new ATOM 0 HG SER A 14 -12.379 -10.786 0.721 1.00 0.00 H new ATOM 174 N ASP A 15 -8.222 -8.671 -0.120 1.00 0.00 N ATOM 175 CA ASP A 15 -7.098 -8.552 0.793 1.00 0.00 C ATOM 176 C ASP A 15 -6.544 -7.127 0.728 1.00 0.00 C ATOM 177 O ASP A 15 -5.831 -6.694 1.633 1.00 0.00 O ATOM 178 CB ASP A 15 -5.974 -9.515 0.411 1.00 0.00 C ATOM 179 CG ASP A 15 -5.929 -10.811 1.224 1.00 0.00 C ATOM 180 OD1 ASP A 15 -6.892 -11.597 1.093 1.00 0.00 O ATOM 181 OD2 ASP A 15 -4.932 -10.987 1.957 1.00 0.00 O ATOM 0 H ASP A 15 -7.982 -9.018 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.451 -8.791 1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.076 -9.769 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.020 -9.000 0.524 1.00 0.00 H new ATOM 186 N VAL A 16 -6.891 -6.439 -0.348 1.00 0.00 N ATOM 187 CA VAL A 16 -6.437 -5.073 -0.543 1.00 0.00 C ATOM 188 C VAL A 16 -7.320 -4.125 0.272 1.00 0.00 C ATOM 189 O VAL A 16 -6.874 -3.560 1.269 1.00 0.00 O ATOM 190 CB VAL A 16 -6.415 -4.736 -2.035 1.00 0.00 C ATOM 191 CG1 VAL A 16 -6.196 -3.238 -2.255 1.00 0.00 C ATOM 192 CG2 VAL A 16 -5.355 -5.560 -2.768 1.00 0.00 C ATOM 0 H VAL A 16 -7.482 -6.802 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.415 -4.955 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.388 -4.997 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.184 -3.025 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.004 -2.679 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.244 -2.941 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.361 -5.301 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.373 -5.346 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.575 -6.621 -2.653 1.00 0.00 H new ATOM 202 N SER A 17 -8.556 -3.982 -0.184 1.00 0.00 N ATOM 203 CA SER A 17 -9.506 -3.113 0.491 1.00 0.00 C ATOM 204 C SER A 17 -9.322 -3.213 2.006 1.00 0.00 C ATOM 205 O SER A 17 -9.289 -2.198 2.700 1.00 0.00 O ATOM 206 CB SER A 17 -10.943 -3.465 0.105 1.00 0.00 C ATOM 207 OG SER A 17 -11.855 -2.422 0.439 1.00 0.00 O ATOM 0 H SER A 17 -8.921 -4.453 -1.012 1.00 0.00 H new ATOM 0 HA SER A 17 -9.315 -2.087 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.993 -3.662 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.240 -4.383 0.612 1.00 0.00 H new ATOM 0 HG SER A 17 -12.762 -2.684 0.175 1.00 0.00 H new ATOM 213 N THR A 18 -9.208 -4.447 2.477 1.00 0.00 N ATOM 214 CA THR A 18 -9.029 -4.693 3.897 1.00 0.00 C ATOM 215 C THR A 18 -7.883 -3.842 4.446 1.00 0.00 C ATOM 216 O THR A 18 -8.065 -3.089 5.400 1.00 0.00 O ATOM 217 CB THR A 18 -8.819 -6.196 4.094 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.134 -6.707 4.292 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.092 -6.519 5.400 1.00 0.00 C ATOM 0 H THR A 18 -9.236 -5.287 1.899 1.00 0.00 H new ATOM 0 HA THR A 18 -9.912 -4.397 4.464 1.00 0.00 H new ATOM 0 HB THR A 18 -8.251 -6.596 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.405 -7.226 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.969 -7.598 5.491 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.113 -6.041 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.676 -6.149 6.243 1.00 0.00 H new ATOM 227 N ALA A 19 -6.725 -3.990 3.817 1.00 0.00 N ATOM 228 CA ALA A 19 -5.549 -3.244 4.230 1.00 0.00 C ATOM 229 C ALA A 19 -5.834 -1.745 4.114 1.00 0.00 C ATOM 230 O ALA A 19 -5.493 -0.974 5.010 1.00 0.00 O ATOM 231 CB ALA A 19 -4.348 -3.676 3.387 1.00 0.00 C ATOM 0 H ALA A 19 -6.577 -4.615 3.025 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.308 -3.454 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.466 -3.116 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.169 -4.742 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.552 -3.478 2.335 1.00 0.00 H new ATOM 237 N GLN A 20 -6.455 -1.378 3.003 1.00 0.00 N ATOM 238 CA GLN A 20 -6.790 0.015 2.758 1.00 0.00 C ATOM 239 C GLN A 20 -7.682 0.551 3.879 1.00 0.00 C ATOM 240 O GLN A 20 -7.349 1.549 4.518 1.00 0.00 O ATOM 241 CB GLN A 20 -7.461 0.186 1.394 1.00 0.00 C ATOM 242 CG GLN A 20 -6.773 -0.675 0.332 1.00 0.00 C ATOM 243 CD GLN A 20 -6.545 0.121 -0.955 1.00 0.00 C ATOM 244 OE1 GLN A 20 -5.442 0.534 -1.274 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.647 0.313 -1.674 1.00 0.00 N ATOM 0 H GLN A 20 -6.735 -2.021 2.262 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.867 0.594 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.513 -0.090 1.465 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.426 1.234 1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.818 -1.037 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.384 -1.552 0.118 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.539 -0.060 -1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.600 0.833 -2.550 1.00 0.00 H new ATOM 254 N ALA A 21 -8.797 -0.133 4.084 1.00 0.00 N ATOM 255 CA ALA A 21 -9.739 0.262 5.117 1.00 0.00 C ATOM 256 C ALA A 21 -8.972 0.841 6.307 1.00 0.00 C ATOM 257 O ALA A 21 -9.479 1.710 7.015 1.00 0.00 O ATOM 258 CB ALA A 21 -10.602 -0.939 5.508 1.00 0.00 C ATOM 0 H ALA A 21 -9.070 -0.959 3.552 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.409 1.038 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.309 -0.642 6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.149 -1.294 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.964 -1.738 5.885 1.00 0.00 H new ATOM 264 N ALA A 22 -7.760 0.337 6.491 1.00 0.00 N ATOM 265 CA ALA A 22 -6.917 0.792 7.583 1.00 0.00 C ATOM 266 C ALA A 22 -6.119 2.016 7.129 1.00 0.00 C ATOM 267 O ALA A 22 -6.086 3.032 7.822 1.00 0.00 O ATOM 268 CB ALA A 22 -6.015 -0.354 8.045 1.00 0.00 C ATOM 0 H ALA A 22 -7.342 -0.383 5.901 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.524 1.092 8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.383 -0.012 8.864 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.630 -1.187 8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.388 -0.681 7.215 1.00 0.00 H new ATOM 274 N GLY A 23 -5.496 1.878 5.968 1.00 0.00 N ATOM 275 CA GLY A 23 -4.700 2.960 5.414 1.00 0.00 C ATOM 276 C GLY A 23 -5.570 4.184 5.115 1.00 0.00 C ATOM 277 O GLY A 23 -5.193 5.310 5.434 1.00 0.00 O ATOM 0 H GLY A 23 -5.526 1.034 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.912 3.232 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.211 2.625 4.499 1.00 0.00 H new ATOM 281 N TYR A 24 -6.717 3.920 4.506 1.00 0.00 N ATOM 282 CA TYR A 24 -7.642 4.985 4.161 1.00 0.00 C ATOM 283 C TYR A 24 -8.297 5.570 5.414 1.00 0.00 C ATOM 284 O TYR A 24 -8.132 6.752 5.711 1.00 0.00 O ATOM 285 CB TYR A 24 -8.722 4.339 3.290 1.00 0.00 C ATOM 286 CG TYR A 24 -9.568 5.342 2.503 1.00 0.00 C ATOM 287 CD1 TYR A 24 -9.320 6.694 2.618 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.580 4.894 1.679 1.00 0.00 C ATOM 289 CE1 TYR A 24 -10.116 7.638 1.876 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.377 5.837 0.938 1.00 0.00 C ATOM 291 CZ TYR A 24 -11.105 7.163 1.073 1.00 0.00 C ATOM 292 OH TYR A 24 -11.858 8.054 0.374 1.00 0.00 O ATOM 0 H TYR A 24 -7.026 2.984 4.243 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.121 5.795 3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.247 3.652 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.379 3.744 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.529 7.045 3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.774 3.835 1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.931 8.699 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.172 5.499 0.290 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.602 8.028 -0.572 1.00 0.00 H new ATOM 302 N LYS A 25 -9.026 4.714 6.116 1.00 0.00 N ATOM 303 CA LYS A 25 -9.706 5.131 7.331 1.00 0.00 C ATOM 304 C LYS A 25 -8.815 6.110 8.098 1.00 0.00 C ATOM 305 O LYS A 25 -9.197 7.259 8.322 1.00 0.00 O ATOM 306 CB LYS A 25 -10.131 3.913 8.152 1.00 0.00 C ATOM 307 CG LYS A 25 -10.846 4.339 9.436 1.00 0.00 C ATOM 308 CD LYS A 25 -12.229 4.915 9.129 1.00 0.00 C ATOM 309 CE LYS A 25 -13.037 5.117 10.412 1.00 0.00 C ATOM 310 NZ LYS A 25 -14.397 4.552 10.263 1.00 0.00 N ATOM 0 H LYS A 25 -9.160 3.734 5.867 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.628 5.660 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.790 3.281 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.255 3.314 8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.945 3.482 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.247 5.083 9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.123 5.867 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.766 4.243 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.528 4.638 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.102 6.180 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.932 4.698 11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.886 5.027 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.330 3.534 10.063 1.00 0.00 H new ATOM 324 N LEU A 26 -7.645 5.622 8.480 1.00 0.00 N ATOM 325 CA LEU A 26 -6.697 6.439 9.218 1.00 0.00 C ATOM 326 C LEU A 26 -6.347 7.677 8.391 1.00 0.00 C ATOM 327 O LEU A 26 -6.149 8.760 8.942 1.00 0.00 O ATOM 328 CB LEU A 26 -5.480 5.609 9.629 1.00 0.00 C ATOM 329 CG LEU A 26 -4.343 6.376 10.307 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.423 6.243 11.829 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.983 5.932 9.764 1.00 0.00 C ATOM 0 H LEU A 26 -7.331 4.670 8.292 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.141 6.792 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.814 4.821 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.082 5.119 8.740 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.455 7.434 10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.603 6.797 12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.373 6.645 12.180 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.349 5.192 12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.192 6.492 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.847 4.867 9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.941 6.120 8.691 1.00 0.00 H new ATOM 343 N HIS A 27 -6.280 7.477 7.083 1.00 0.00 N ATOM 344 CA HIS A 27 -5.956 8.563 6.175 1.00 0.00 C ATOM 345 C HIS A 27 -7.077 9.603 6.199 1.00 0.00 C ATOM 346 O HIS A 27 -6.822 10.794 6.365 1.00 0.00 O ATOM 347 CB HIS A 27 -5.671 8.030 4.769 1.00 0.00 C ATOM 348 CG HIS A 27 -5.478 9.109 3.731 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.468 10.052 3.808 1.00 0.00 N ATOM 350 CD2 HIS A 27 -6.176 9.384 2.592 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.563 10.854 2.757 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.622 10.438 2.004 1.00 0.00 N ATOM 0 H HIS A 27 -6.445 6.578 6.630 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.042 9.057 6.505 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.777 7.408 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.496 7.387 4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.034 8.837 2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.916 11.690 2.536 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.936 10.866 1.133 1.00 0.00 H new ATOM 361 N GLU A 28 -8.298 9.115 6.028 1.00 0.00 N ATOM 362 CA GLU A 28 -9.459 9.986 6.029 1.00 0.00 C ATOM 363 C GLU A 28 -9.530 10.778 7.336 1.00 0.00 C ATOM 364 O GLU A 28 -10.085 11.875 7.372 1.00 0.00 O ATOM 365 CB GLU A 28 -10.745 9.188 5.802 1.00 0.00 C ATOM 366 CG GLU A 28 -10.433 7.717 5.518 1.00 0.00 C ATOM 367 CD GLU A 28 -11.708 6.942 5.178 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.694 7.115 5.927 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.668 6.194 4.177 1.00 0.00 O ATOM 0 H GLU A 28 -8.507 8.127 5.888 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.358 10.692 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.385 9.265 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.299 9.614 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.727 7.644 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.952 7.269 6.387 1.00 0.00 H new ATOM 376 N ASP A 29 -8.959 10.191 8.377 1.00 0.00 N ATOM 377 CA ASP A 29 -8.949 10.828 9.684 1.00 0.00 C ATOM 378 C ASP A 29 -7.713 11.723 9.800 1.00 0.00 C ATOM 379 O ASP A 29 -7.647 12.584 10.677 1.00 0.00 O ATOM 380 CB ASP A 29 -8.887 9.788 10.803 1.00 0.00 C ATOM 381 CG ASP A 29 -10.241 9.215 11.228 1.00 0.00 C ATOM 382 OD1 ASP A 29 -10.852 8.520 10.388 1.00 0.00 O ATOM 383 OD2 ASP A 29 -10.633 9.485 12.384 1.00 0.00 O ATOM 0 H ASP A 29 -8.500 9.281 8.343 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.866 11.409 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.247 8.967 10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.411 10.240 11.673 1.00 0.00 H new ATOM 388 N GLY A 30 -6.765 11.489 8.905 1.00 0.00 N ATOM 389 CA GLY A 30 -5.535 12.263 8.897 1.00 0.00 C ATOM 390 C GLY A 30 -4.586 11.794 10.000 1.00 0.00 C ATOM 391 O GLY A 30 -3.701 12.538 10.421 1.00 0.00 O ATOM 0 H GLY A 30 -6.824 10.774 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.047 12.167 7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.765 13.320 9.035 1.00 0.00 H new ATOM 395 N GLU A 31 -4.801 10.563 10.439 1.00 0.00 N ATOM 396 CA GLU A 31 -3.975 9.985 11.486 1.00 0.00 C ATOM 397 C GLU A 31 -2.899 9.084 10.876 1.00 0.00 C ATOM 398 O GLU A 31 -2.897 8.841 9.671 1.00 0.00 O ATOM 399 CB GLU A 31 -4.828 9.215 12.495 1.00 0.00 C ATOM 400 CG GLU A 31 -5.643 10.172 13.368 1.00 0.00 C ATOM 401 CD GLU A 31 -4.743 10.905 14.366 1.00 0.00 C ATOM 402 OE1 GLU A 31 -3.748 10.283 14.796 1.00 0.00 O ATOM 403 OE2 GLU A 31 -5.069 12.071 14.673 1.00 0.00 O ATOM 0 H GLU A 31 -5.536 9.949 10.089 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.481 10.796 12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.499 8.538 11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.186 8.600 13.125 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.158 10.896 12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.410 9.615 13.906 1.00 0.00 H new ATOM 410 N THR A 32 -2.010 8.613 11.739 1.00 0.00 N ATOM 411 CA THR A 32 -0.931 7.744 11.300 1.00 0.00 C ATOM 412 C THR A 32 -0.906 6.462 12.135 1.00 0.00 C ATOM 413 O THR A 32 -1.691 6.311 13.071 1.00 0.00 O ATOM 414 CB THR A 32 0.375 8.539 11.369 1.00 0.00 C ATOM 415 OG1 THR A 32 0.352 9.130 12.665 1.00 0.00 O ATOM 416 CG2 THR A 32 0.383 9.734 10.414 1.00 0.00 C ATOM 0 H THR A 32 -2.015 8.816 12.738 1.00 0.00 H new ATOM 0 HA THR A 32 -1.078 7.421 10.269 1.00 0.00 H new ATOM 0 HB THR A 32 1.213 7.883 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.164 9.663 12.796 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.331 10.264 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.258 9.382 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.435 10.409 10.668 1.00 0.00 H new ATOM 424 N VAL A 33 0.003 5.572 11.767 1.00 0.00 N ATOM 425 CA VAL A 33 0.141 4.308 12.471 1.00 0.00 C ATOM 426 C VAL A 33 1.609 4.095 12.847 1.00 0.00 C ATOM 427 O VAL A 33 2.491 4.193 11.996 1.00 0.00 O ATOM 428 CB VAL A 33 -0.429 3.171 11.621 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.666 3.632 10.845 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.633 2.609 10.674 1.00 0.00 C ATOM 0 H VAL A 33 0.652 5.701 10.990 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.433 4.323 13.398 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.735 2.371 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.051 2.804 10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.433 3.962 11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.396 4.458 10.187 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.202 1.802 10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.984 3.399 10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.471 2.224 11.255 1.00 0.00 H new ATOM 440 N GLY A 34 1.824 3.808 14.122 1.00 0.00 N ATOM 441 CA GLY A 34 3.169 3.580 14.622 1.00 0.00 C ATOM 442 C GLY A 34 3.898 4.905 14.855 1.00 0.00 C ATOM 443 O GLY A 34 3.272 5.914 15.173 1.00 0.00 O ATOM 0 H GLY A 34 1.089 3.728 14.825 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.124 3.017 15.554 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.728 2.973 13.910 1.00 0.00 H new ATOM 447 N SER A 35 5.212 4.858 14.689 1.00 0.00 N ATOM 448 CA SER A 35 6.033 6.042 14.878 1.00 0.00 C ATOM 449 C SER A 35 6.247 6.749 13.539 1.00 0.00 C ATOM 450 O SER A 35 6.643 7.913 13.504 1.00 0.00 O ATOM 451 CB SER A 35 7.380 5.683 15.510 1.00 0.00 C ATOM 452 OG SER A 35 7.222 4.937 16.713 1.00 0.00 O ATOM 0 H SER A 35 5.728 4.019 14.426 1.00 0.00 H new ATOM 0 HA SER A 35 5.511 6.715 15.558 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.971 5.105 14.800 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.937 6.596 15.720 1.00 0.00 H new ATOM 0 HG SER A 35 8.104 4.726 17.085 1.00 0.00 H new ATOM 458 N ASN A 36 5.976 6.017 12.468 1.00 0.00 N ATOM 459 CA ASN A 36 6.134 6.560 11.130 1.00 0.00 C ATOM 460 C ASN A 36 4.953 7.480 10.815 1.00 0.00 C ATOM 461 O ASN A 36 4.226 7.893 11.717 1.00 0.00 O ATOM 462 CB ASN A 36 6.157 5.445 10.082 1.00 0.00 C ATOM 463 CG ASN A 36 7.576 5.218 9.556 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.544 5.771 10.049 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.643 4.374 8.530 1.00 0.00 N ATOM 0 H ASN A 36 5.648 5.052 12.500 1.00 0.00 H new ATOM 0 HA ASN A 36 7.077 7.106 11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.775 4.522 10.519 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.496 5.704 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.545 4.155 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.792 3.945 8.166 1.00 0.00 H new ATOM 472 N SER A 37 4.798 7.774 9.532 1.00 0.00 N ATOM 473 CA SER A 37 3.717 8.637 9.088 1.00 0.00 C ATOM 474 C SER A 37 2.890 7.928 8.013 1.00 0.00 C ATOM 475 O SER A 37 2.585 8.511 6.974 1.00 0.00 O ATOM 476 CB SER A 37 4.257 9.964 8.551 1.00 0.00 C ATOM 477 OG SER A 37 5.300 9.770 7.598 1.00 0.00 O ATOM 0 H SER A 37 5.403 7.430 8.786 1.00 0.00 H new ATOM 0 HA SER A 37 3.079 8.855 9.945 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.445 10.526 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.630 10.565 9.380 1.00 0.00 H new ATOM 0 HG SER A 37 5.617 10.640 7.278 1.00 0.00 H new ATOM 483 N TYR A 38 2.548 6.681 8.302 1.00 0.00 N ATOM 484 CA TYR A 38 1.761 5.886 7.374 1.00 0.00 C ATOM 485 C TYR A 38 0.290 5.850 7.793 1.00 0.00 C ATOM 486 O TYR A 38 -0.019 5.810 8.984 1.00 0.00 O ATOM 487 CB TYR A 38 2.334 4.470 7.442 1.00 0.00 C ATOM 488 CG TYR A 38 3.731 4.332 6.832 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.684 5.303 7.067 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.037 3.240 6.047 1.00 0.00 C ATOM 491 CE1 TYR A 38 5.999 5.173 6.492 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.351 3.111 5.472 1.00 0.00 C ATOM 493 CZ TYR A 38 6.267 4.084 5.723 1.00 0.00 C ATOM 494 OH TYR A 38 7.508 3.962 5.181 1.00 0.00 O ATOM 0 H TYR A 38 2.801 6.201 9.166 1.00 0.00 H new ATOM 0 HA TYR A 38 1.808 6.308 6.370 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.372 4.154 8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.655 3.790 6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.444 6.159 7.681 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.291 2.481 5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.755 5.924 6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.603 2.261 4.856 1.00 0.00 H new ATOM 0 HH TYR A 38 7.556 3.135 4.657 1.00 0.00 H new ATOM 504 N PRO A 39 -0.600 5.865 6.767 1.00 0.00 N ATOM 505 CA PRO A 39 -0.150 5.912 5.386 1.00 0.00 C ATOM 506 C PRO A 39 0.348 7.311 5.019 1.00 0.00 C ATOM 507 O PRO A 39 0.553 8.151 5.895 1.00 0.00 O ATOM 508 CB PRO A 39 -1.353 5.477 4.565 1.00 0.00 C ATOM 509 CG PRO A 39 -2.561 5.649 5.471 1.00 0.00 C ATOM 510 CD PRO A 39 -2.055 5.837 6.892 1.00 0.00 C ATOM 0 HA PRO A 39 0.701 5.258 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.451 6.083 3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.251 4.441 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.152 6.510 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.211 4.776 5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.433 6.762 7.328 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.381 5.023 7.539 1.00 0.00 H new ATOM 518 N HIS A 40 0.529 7.520 3.724 1.00 0.00 N ATOM 519 CA HIS A 40 1.000 8.803 3.231 1.00 0.00 C ATOM 520 C HIS A 40 1.197 8.730 1.715 1.00 0.00 C ATOM 521 O HIS A 40 1.096 7.655 1.124 1.00 0.00 O ATOM 522 CB HIS A 40 2.264 9.239 3.972 1.00 0.00 C ATOM 523 CG HIS A 40 3.481 8.403 3.656 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.218 8.559 2.495 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.082 7.402 4.363 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.214 7.686 2.512 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.129 6.970 3.669 1.00 0.00 N ATOM 0 H HIS A 40 0.358 6.822 3.000 1.00 0.00 H new ATOM 0 HA HIS A 40 0.250 9.569 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.477 10.279 3.725 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.076 9.198 5.045 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.027 9.232 1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.761 7.025 5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.963 7.563 1.743 1.00 0.00 H new ATOM 536 N LYS A 41 1.475 9.885 1.129 1.00 0.00 N ATOM 537 CA LYS A 41 1.687 9.966 -0.306 1.00 0.00 C ATOM 538 C LYS A 41 2.742 8.937 -0.719 1.00 0.00 C ATOM 539 O LYS A 41 3.498 8.448 0.118 1.00 0.00 O ATOM 540 CB LYS A 41 2.032 11.398 -0.717 1.00 0.00 C ATOM 541 CG LYS A 41 2.133 11.522 -2.239 1.00 0.00 C ATOM 542 CD LYS A 41 0.787 11.226 -2.903 1.00 0.00 C ATOM 543 CE LYS A 41 0.259 12.456 -3.645 1.00 0.00 C ATOM 544 NZ LYS A 41 -0.502 13.329 -2.723 1.00 0.00 N ATOM 0 H LYS A 41 1.558 10.774 1.623 1.00 0.00 H new ATOM 0 HA LYS A 41 0.771 9.718 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.270 12.081 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.977 11.694 -0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.461 12.527 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.888 10.831 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.896 10.395 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.065 10.915 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.091 13.012 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.380 12.144 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.048 14.023 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.152 12.750 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.158 13.828 -2.093 1.00 0.00 H new ATOM 558 N TYR A 42 2.756 8.638 -2.010 1.00 0.00 N ATOM 559 CA TYR A 42 3.706 7.676 -2.545 1.00 0.00 C ATOM 560 C TYR A 42 4.008 7.966 -4.016 1.00 0.00 C ATOM 561 O TYR A 42 4.633 7.153 -4.696 1.00 0.00 O ATOM 562 CB TYR A 42 3.028 6.309 -2.435 1.00 0.00 C ATOM 563 CG TYR A 42 3.715 5.206 -3.242 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.518 5.125 -4.605 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.533 4.295 -2.607 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.165 4.087 -5.365 1.00 0.00 C ATOM 567 CE2 TYR A 42 5.180 3.257 -3.367 1.00 0.00 C ATOM 568 CZ TYR A 42 4.964 3.204 -4.708 1.00 0.00 C ATOM 569 OH TYR A 42 5.576 2.224 -5.426 1.00 0.00 O ATOM 0 H TYR A 42 2.125 9.044 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 42 4.648 7.720 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.999 6.013 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.995 6.400 -2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.879 5.840 -5.102 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.688 4.360 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.019 4.011 -6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.822 2.537 -2.882 1.00 0.00 H new ATOM 0 HH TYR A 42 6.088 2.626 -6.159 1.00 0.00 H new ATOM 579 N ASN A 43 3.551 9.124 -4.466 1.00 0.00 N ATOM 580 CA ASN A 43 3.765 9.531 -5.844 1.00 0.00 C ATOM 581 C ASN A 43 4.771 8.583 -6.500 1.00 0.00 C ATOM 582 O ASN A 43 5.971 8.850 -6.500 1.00 0.00 O ATOM 583 CB ASN A 43 4.334 10.948 -5.918 1.00 0.00 C ATOM 584 CG ASN A 43 3.231 11.967 -6.217 1.00 0.00 C ATOM 585 OD1 ASN A 43 2.047 11.648 -5.704 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.442 12.976 -6.869 1.00 0.00 N flip ATOM 0 H ASN A 43 3.032 9.795 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 43 2.804 9.501 -6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.820 11.199 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.099 10.997 -6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.376 13.161 -7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.684 13.635 -7.049 1.00 0.00 H new ATOM 593 N ASN A 44 4.243 7.495 -7.043 1.00 0.00 N ATOM 594 CA ASN A 44 5.080 6.506 -7.701 1.00 0.00 C ATOM 595 C ASN A 44 6.043 7.214 -8.657 1.00 0.00 C ATOM 596 O ASN A 44 5.901 8.408 -8.915 1.00 0.00 O ATOM 597 CB ASN A 44 4.236 5.526 -8.519 1.00 0.00 C ATOM 598 CG ASN A 44 3.800 6.153 -9.845 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.766 6.211 -10.759 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.664 6.558 -10.027 1.00 0.00 N flip ATOM 0 H ASN A 44 3.247 7.277 -7.041 1.00 0.00 H new ATOM 0 HA ASN A 44 5.623 5.958 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.810 4.620 -8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.357 5.231 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.971 6.483 -9.283 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.407 6.971 -10.923 1.00 0.00 H new ATOM 607 N TYR A 45 7.001 6.446 -9.156 1.00 0.00 N ATOM 608 CA TYR A 45 7.987 6.985 -10.077 1.00 0.00 C ATOM 609 C TYR A 45 8.861 5.871 -10.657 1.00 0.00 C ATOM 610 O TYR A 45 9.141 5.857 -11.855 1.00 0.00 O ATOM 611 CB TYR A 45 8.864 7.928 -9.252 1.00 0.00 C ATOM 612 CG TYR A 45 8.457 9.399 -9.349 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.416 9.775 -10.173 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.132 10.352 -8.613 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.032 11.160 -10.264 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.749 11.737 -8.704 1.00 0.00 C ATOM 617 CZ TYR A 45 7.718 12.073 -9.525 1.00 0.00 C ATOM 618 OH TYR A 45 7.356 13.381 -9.611 1.00 0.00 O ATOM 0 H TYR A 45 7.115 5.456 -8.940 1.00 0.00 H new ATOM 0 HA TYR A 45 7.498 7.491 -10.910 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.828 7.620 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.899 7.825 -9.580 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.889 9.030 -10.750 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.948 10.059 -7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.218 11.467 -10.904 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.269 12.492 -8.133 1.00 0.00 H new ATOM 0 HH TYR A 45 7.932 13.919 -9.028 1.00 0.00 H new ATOM 628 N GLU A 46 9.267 4.964 -9.781 1.00 0.00 N ATOM 629 CA GLU A 46 10.103 3.849 -10.191 1.00 0.00 C ATOM 630 C GLU A 46 9.588 3.253 -11.502 1.00 0.00 C ATOM 631 O GLU A 46 10.325 2.565 -12.208 1.00 0.00 O ATOM 632 CB GLU A 46 10.174 2.785 -9.093 1.00 0.00 C ATOM 633 CG GLU A 46 10.822 3.346 -7.826 1.00 0.00 C ATOM 634 CD GLU A 46 11.325 4.773 -8.053 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.388 4.904 -8.699 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.636 5.700 -7.576 1.00 0.00 O ATOM 0 H GLU A 46 9.032 4.979 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 46 11.114 4.220 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.171 2.426 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.745 1.928 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.100 3.337 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.652 2.708 -7.525 1.00 0.00 H new ATOM 643 N GLY A 47 8.326 3.536 -11.787 1.00 0.00 N ATOM 644 CA GLY A 47 7.703 3.035 -13.000 1.00 0.00 C ATOM 645 C GLY A 47 6.556 2.076 -12.672 1.00 0.00 C ATOM 646 O GLY A 47 6.544 0.936 -13.135 1.00 0.00 O ATOM 0 H GLY A 47 7.718 4.106 -11.199 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.326 3.870 -13.591 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.447 2.523 -13.610 1.00 0.00 H new ATOM 650 N PHE A 48 5.620 2.573 -11.878 1.00 0.00 N ATOM 651 CA PHE A 48 4.472 1.775 -11.483 1.00 0.00 C ATOM 652 C PHE A 48 3.236 2.149 -12.304 1.00 0.00 C ATOM 653 O PHE A 48 2.916 3.328 -12.449 1.00 0.00 O ATOM 654 CB PHE A 48 4.201 2.080 -10.009 1.00 0.00 C ATOM 655 CG PHE A 48 5.245 1.501 -9.051 1.00 0.00 C ATOM 656 CD1 PHE A 48 5.167 0.200 -8.664 1.00 0.00 C ATOM 657 CD2 PHE A 48 6.253 2.289 -8.588 1.00 0.00 C ATOM 658 CE1 PHE A 48 6.136 -0.336 -7.777 1.00 0.00 C ATOM 659 CE2 PHE A 48 7.222 1.753 -7.700 1.00 0.00 C ATOM 660 CZ PHE A 48 7.144 0.451 -7.313 1.00 0.00 C ATOM 0 H PHE A 48 5.633 3.519 -11.497 1.00 0.00 H new ATOM 0 HA PHE A 48 4.679 0.718 -11.648 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.159 3.161 -9.874 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.220 1.687 -9.742 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.367 -0.426 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.316 3.322 -8.896 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.073 -1.370 -7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.021 2.379 -7.331 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.882 0.043 -6.638 1.00 0.00 H new ATOM 670 N ASP A 49 2.574 1.123 -12.819 1.00 0.00 N ATOM 671 CA ASP A 49 1.381 1.329 -13.622 1.00 0.00 C ATOM 672 C ASP A 49 0.142 1.148 -12.742 1.00 0.00 C ATOM 673 O ASP A 49 -0.689 0.281 -13.005 1.00 0.00 O ATOM 674 CB ASP A 49 1.303 0.313 -14.763 1.00 0.00 C ATOM 675 CG ASP A 49 2.654 -0.175 -15.289 1.00 0.00 C ATOM 676 OD1 ASP A 49 3.273 -1.001 -14.584 1.00 0.00 O ATOM 677 OD2 ASP A 49 3.037 0.290 -16.385 1.00 0.00 O ATOM 0 H ASP A 49 2.842 0.146 -12.696 1.00 0.00 H new ATOM 0 HA ASP A 49 1.424 2.336 -14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.730 -0.549 -14.423 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.748 0.759 -15.589 1.00 0.00 H new ATOM 682 N PHE A 50 0.059 1.981 -11.716 1.00 0.00 N ATOM 683 CA PHE A 50 -1.064 1.925 -10.795 1.00 0.00 C ATOM 684 C PHE A 50 -2.388 2.143 -11.531 1.00 0.00 C ATOM 685 O PHE A 50 -2.690 3.258 -11.954 1.00 0.00 O ATOM 686 CB PHE A 50 -0.867 3.051 -9.779 1.00 0.00 C ATOM 687 CG PHE A 50 0.301 2.825 -8.818 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.908 1.609 -8.758 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.733 3.839 -8.022 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.992 1.398 -7.866 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.818 3.629 -7.130 1.00 0.00 C ATOM 692 CZ PHE A 50 2.424 2.413 -7.070 1.00 0.00 C ATOM 0 H PHE A 50 0.751 2.699 -11.502 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.103 0.947 -10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.707 3.986 -10.315 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.783 3.168 -9.200 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.565 0.803 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.251 4.804 -8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.473 0.432 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.162 4.435 -6.499 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.248 2.253 -6.390 1.00 0.00 H new ATOM 702 N SER A 51 -3.141 1.061 -11.659 1.00 0.00 N ATOM 703 CA SER A 51 -4.427 1.121 -12.337 1.00 0.00 C ATOM 704 C SER A 51 -5.368 2.068 -11.590 1.00 0.00 C ATOM 705 O SER A 51 -6.531 2.214 -11.964 1.00 0.00 O ATOM 706 CB SER A 51 -5.053 -0.271 -12.451 1.00 0.00 C ATOM 707 OG SER A 51 -5.330 -0.838 -11.174 1.00 0.00 O ATOM 0 H SER A 51 -2.887 0.138 -11.306 1.00 0.00 H new ATOM 0 HA SER A 51 -4.266 1.501 -13.346 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.976 -0.207 -13.027 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.379 -0.928 -13.001 1.00 0.00 H new ATOM 0 HG SER A 51 -5.730 -1.725 -11.290 1.00 0.00 H new ATOM 713 N VAL A 52 -4.830 2.687 -10.549 1.00 0.00 N ATOM 714 CA VAL A 52 -5.608 3.615 -9.747 1.00 0.00 C ATOM 715 C VAL A 52 -5.092 5.037 -9.977 1.00 0.00 C ATOM 716 O VAL A 52 -3.931 5.230 -10.335 1.00 0.00 O ATOM 717 CB VAL A 52 -5.571 3.196 -8.277 1.00 0.00 C ATOM 718 CG1 VAL A 52 -5.953 1.724 -8.117 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.198 3.476 -7.662 1.00 0.00 C ATOM 0 H VAL A 52 -3.865 2.564 -10.243 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.655 3.596 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.307 3.793 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.919 1.452 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.961 1.566 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.252 1.103 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.198 3.169 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.436 2.917 -8.204 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.981 4.542 -7.727 1.00 0.00 H new ATOM 729 N SER A 53 -5.980 5.997 -9.762 1.00 0.00 N ATOM 730 CA SER A 53 -5.628 7.396 -9.941 1.00 0.00 C ATOM 731 C SER A 53 -5.011 7.949 -8.655 1.00 0.00 C ATOM 732 O SER A 53 -4.993 7.270 -7.630 1.00 0.00 O ATOM 733 CB SER A 53 -6.851 8.223 -10.342 1.00 0.00 C ATOM 734 OG SER A 53 -7.250 7.970 -11.686 1.00 0.00 O ATOM 0 H SER A 53 -6.942 5.834 -9.466 1.00 0.00 H new ATOM 0 HA SER A 53 -4.896 7.465 -10.746 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.678 7.996 -9.670 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.626 9.283 -10.224 1.00 0.00 H new ATOM 0 HG SER A 53 -8.035 8.516 -11.903 1.00 0.00 H new ATOM 740 N SER A 54 -4.518 9.174 -8.754 1.00 0.00 N ATOM 741 CA SER A 54 -3.901 9.827 -7.611 1.00 0.00 C ATOM 742 C SER A 54 -4.945 10.643 -6.847 1.00 0.00 C ATOM 743 O SER A 54 -6.063 10.830 -7.325 1.00 0.00 O ATOM 744 CB SER A 54 -2.742 10.724 -8.049 1.00 0.00 C ATOM 745 OG SER A 54 -3.154 12.076 -8.233 1.00 0.00 O ATOM 0 H SER A 54 -4.533 9.732 -9.608 1.00 0.00 H new ATOM 0 HA SER A 54 -3.500 9.056 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.950 10.685 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.320 10.343 -8.979 1.00 0.00 H new ATOM 0 HG SER A 54 -2.386 12.617 -8.511 1.00 0.00 H new ATOM 751 N PRO A 55 -4.533 11.120 -5.641 1.00 0.00 N ATOM 752 CA PRO A 55 -3.192 10.852 -5.149 1.00 0.00 C ATOM 753 C PRO A 55 -3.066 9.407 -4.661 1.00 0.00 C ATOM 754 O PRO A 55 -4.062 8.778 -4.308 1.00 0.00 O ATOM 755 CB PRO A 55 -2.966 11.873 -4.048 1.00 0.00 C ATOM 756 CG PRO A 55 -4.347 12.368 -3.648 1.00 0.00 C ATOM 757 CD PRO A 55 -5.330 11.922 -4.718 1.00 0.00 C ATOM 0 HA PRO A 55 -2.432 10.948 -5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.451 11.424 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.343 12.695 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.631 11.964 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.351 13.454 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.145 11.339 -4.289 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.781 12.776 -5.223 1.00 0.00 H new ATOM 765 N TYR A 56 -1.833 8.924 -4.657 1.00 0.00 N ATOM 766 CA TYR A 56 -1.563 7.566 -4.216 1.00 0.00 C ATOM 767 C TYR A 56 -1.124 7.540 -2.751 1.00 0.00 C ATOM 768 O TYR A 56 -0.269 8.324 -2.342 1.00 0.00 O ATOM 769 CB TYR A 56 -0.412 7.060 -5.090 1.00 0.00 C ATOM 770 CG TYR A 56 -0.770 6.922 -6.570 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.067 6.629 -6.943 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.204 7.089 -7.534 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.402 6.498 -8.337 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.132 6.958 -8.928 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.420 6.669 -9.261 1.00 0.00 C ATOM 776 OH TYR A 56 -1.737 6.545 -10.577 1.00 0.00 O ATOM 0 H TYR A 56 -1.009 9.448 -4.952 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.458 6.950 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.432 7.743 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.083 6.091 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.830 6.498 -6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.218 7.318 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.412 6.269 -8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.621 7.086 -9.692 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.704 6.415 -10.670 1.00 0.00 H new ATOM 786 N TYR A 57 -1.729 6.631 -2.001 1.00 0.00 N ATOM 787 CA TYR A 57 -1.413 6.494 -0.590 1.00 0.00 C ATOM 788 C TYR A 57 -0.758 5.141 -0.304 1.00 0.00 C ATOM 789 O TYR A 57 -1.368 4.095 -0.518 1.00 0.00 O ATOM 790 CB TYR A 57 -2.748 6.567 0.152 1.00 0.00 C ATOM 791 CG TYR A 57 -3.550 7.839 -0.133 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.932 8.927 -0.716 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.889 7.898 0.192 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.687 10.125 -0.984 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.644 9.095 -0.076 1.00 0.00 C ATOM 796 CZ TYR A 57 -5.005 10.149 -0.651 1.00 0.00 C ATOM 797 OH TYR A 57 -5.717 11.280 -0.905 1.00 0.00 O ATOM 0 H TYR A 57 -2.437 5.982 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.718 7.273 -0.276 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.351 5.701 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.560 6.501 1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.884 8.881 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.372 7.046 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.217 10.984 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.693 9.154 0.174 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.322 12.032 -0.416 1.00 0.00 H new ATOM 807 N GLU A 58 0.476 5.205 0.175 1.00 0.00 N ATOM 808 CA GLU A 58 1.220 3.999 0.492 1.00 0.00 C ATOM 809 C GLU A 58 0.817 3.474 1.872 1.00 0.00 C ATOM 810 O GLU A 58 0.572 4.255 2.791 1.00 0.00 O ATOM 811 CB GLU A 58 2.727 4.249 0.420 1.00 0.00 C ATOM 812 CG GLU A 58 3.156 5.312 1.433 1.00 0.00 C ATOM 813 CD GLU A 58 3.039 4.784 2.864 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.530 3.658 3.095 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.462 5.518 3.694 1.00 0.00 O ATOM 0 H GLU A 58 0.979 6.075 0.351 1.00 0.00 H new ATOM 0 HA GLU A 58 0.975 3.239 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.263 3.320 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.998 4.570 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.185 5.613 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.536 6.201 1.318 1.00 0.00 H new ATOM 822 N TRP A 59 0.761 2.154 1.974 1.00 0.00 N ATOM 823 CA TRP A 59 0.393 1.516 3.226 1.00 0.00 C ATOM 824 C TRP A 59 0.830 0.051 3.157 1.00 0.00 C ATOM 825 O TRP A 59 0.794 -0.562 2.092 1.00 0.00 O ATOM 826 CB TRP A 59 -1.103 1.681 3.506 1.00 0.00 C ATOM 827 CG TRP A 59 -1.614 0.833 4.673 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.263 -0.338 4.620 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.493 1.140 6.078 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.568 -0.806 5.881 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.085 0.121 6.797 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.902 2.243 6.720 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.143 0.103 8.195 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -0.969 2.210 8.118 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.561 1.191 8.856 1.00 0.00 C ATOM 0 H TRP A 59 0.964 1.509 1.210 1.00 0.00 H new ATOM 0 HA TRP A 59 0.901 1.991 4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.310 2.731 3.715 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.662 1.419 2.608 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.516 -0.851 3.704 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.058 -1.673 6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.434 3.051 6.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.612 -0.707 8.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.530 3.034 8.661 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.572 1.239 9.935 1.00 0.00 H new ATOM 846 N PRO A 60 1.243 -0.482 4.338 1.00 0.00 N ATOM 847 CA PRO A 60 1.687 -1.863 4.421 1.00 0.00 C ATOM 848 C PRO A 60 0.499 -2.824 4.365 1.00 0.00 C ATOM 849 O PRO A 60 -0.553 -2.552 4.940 1.00 0.00 O ATOM 850 CB PRO A 60 2.459 -1.949 5.728 1.00 0.00 C ATOM 851 CG PRO A 60 2.027 -0.746 6.549 1.00 0.00 C ATOM 852 CD PRO A 60 1.300 0.215 5.621 1.00 0.00 C ATOM 0 HA PRO A 60 2.317 -2.154 3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.237 -2.879 6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.534 -1.933 5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.374 -1.055 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.893 -0.260 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.301 0.445 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.833 1.162 5.534 1.00 0.00 H new ATOM 860 N ILE A 61 0.707 -3.930 3.665 1.00 0.00 N ATOM 861 CA ILE A 61 -0.334 -4.934 3.525 1.00 0.00 C ATOM 862 C ILE A 61 0.063 -6.187 4.307 1.00 0.00 C ATOM 863 O ILE A 61 1.049 -6.844 3.975 1.00 0.00 O ATOM 864 CB ILE A 61 -0.628 -5.199 2.047 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.055 -5.716 1.855 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.410 -6.148 1.443 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.459 -5.677 0.380 1.00 0.00 C ATOM 0 H ILE A 61 1.581 -4.153 3.189 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.270 -4.574 3.953 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.553 -4.254 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.129 -6.737 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.747 -5.111 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.178 -6.320 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.402 -5.704 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.390 -7.097 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.478 -6.050 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.407 -4.651 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.780 -6.302 -0.200 1.00 0.00 H new ATOM 879 N LEU A 62 -0.725 -6.482 5.331 1.00 0.00 N ATOM 880 CA LEU A 62 -0.467 -7.645 6.164 1.00 0.00 C ATOM 881 C LEU A 62 -1.144 -8.870 5.544 1.00 0.00 C ATOM 882 O LEU A 62 -2.357 -8.874 5.335 1.00 0.00 O ATOM 883 CB LEU A 62 -0.891 -7.373 7.608 1.00 0.00 C ATOM 884 CG LEU A 62 -0.126 -6.265 8.334 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.829 -5.876 9.637 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.332 -6.665 8.566 1.00 0.00 C ATOM 0 H LEU A 62 -1.542 -5.936 5.603 1.00 0.00 H new ATOM 0 HA LEU A 62 0.601 -7.857 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.951 -7.119 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.782 -8.296 8.178 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.119 -5.381 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.265 -5.087 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.835 -5.519 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.889 -6.745 10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.852 -5.859 9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.369 -7.570 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.815 -6.852 7.607 1.00 0.00 H new ATOM 898 N SER A 63 -0.331 -9.878 5.269 1.00 0.00 N ATOM 899 CA SER A 63 -0.837 -11.106 4.677 1.00 0.00 C ATOM 900 C SER A 63 -1.902 -11.725 5.585 1.00 0.00 C ATOM 901 O SER A 63 -2.630 -12.623 5.169 1.00 0.00 O ATOM 902 CB SER A 63 0.296 -12.106 4.431 1.00 0.00 C ATOM 903 OG SER A 63 0.608 -12.858 5.600 1.00 0.00 O ATOM 0 H SER A 63 0.674 -9.871 5.444 1.00 0.00 H new ATOM 0 HA SER A 63 -1.286 -10.862 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.011 -12.786 3.628 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.185 -11.571 4.096 1.00 0.00 H new ATOM 0 HG SER A 63 1.334 -13.485 5.401 1.00 0.00 H new ATOM 909 N SER A 64 -1.957 -11.218 6.808 1.00 0.00 N ATOM 910 CA SER A 64 -2.921 -11.710 7.778 1.00 0.00 C ATOM 911 C SER A 64 -4.235 -10.937 7.648 1.00 0.00 C ATOM 912 O SER A 64 -5.254 -11.337 8.208 1.00 0.00 O ATOM 913 CB SER A 64 -2.376 -11.594 9.203 1.00 0.00 C ATOM 914 OG SER A 64 -0.954 -11.680 9.239 1.00 0.00 O ATOM 0 H SER A 64 -1.350 -10.472 7.149 1.00 0.00 H new ATOM 0 HA SER A 64 -3.105 -12.765 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.693 -10.645 9.636 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.803 -12.385 9.820 1.00 0.00 H new ATOM 0 HG SER A 64 -0.645 -11.600 10.165 1.00 0.00 H new ATOM 920 N GLY A 65 -4.169 -9.841 6.905 1.00 0.00 N ATOM 921 CA GLY A 65 -5.341 -9.008 6.694 1.00 0.00 C ATOM 922 C GLY A 65 -5.641 -8.161 7.933 1.00 0.00 C ATOM 923 O GLY A 65 -6.802 -7.975 8.296 1.00 0.00 O ATOM 0 H GLY A 65 -3.322 -9.511 6.442 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.179 -8.357 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.201 -9.636 6.461 1.00 0.00 H new ATOM 927 N ASP A 66 -4.575 -7.669 8.547 1.00 0.00 N ATOM 928 CA ASP A 66 -4.710 -6.846 9.737 1.00 0.00 C ATOM 929 C ASP A 66 -4.284 -5.413 9.411 1.00 0.00 C ATOM 930 O ASP A 66 -4.011 -5.091 8.256 1.00 0.00 O ATOM 931 CB ASP A 66 -3.814 -7.360 10.866 1.00 0.00 C ATOM 932 CG ASP A 66 -4.318 -8.623 11.566 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.141 -9.710 10.974 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.869 -8.474 12.679 1.00 0.00 O ATOM 0 H ASP A 66 -3.614 -7.824 8.243 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.751 -6.883 10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.822 -7.559 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.702 -6.571 11.609 1.00 0.00 H new ATOM 939 N VAL A 67 -4.241 -4.592 10.450 1.00 0.00 N ATOM 940 CA VAL A 67 -3.854 -3.201 10.289 1.00 0.00 C ATOM 941 C VAL A 67 -2.465 -2.990 10.894 1.00 0.00 C ATOM 942 O VAL A 67 -2.308 -3.000 12.114 1.00 0.00 O ATOM 943 CB VAL A 67 -4.919 -2.287 10.900 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.405 -0.851 11.018 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.216 -2.340 10.091 1.00 0.00 C ATOM 0 H VAL A 67 -4.468 -4.864 11.407 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.791 -2.941 9.232 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.136 -2.649 11.905 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.180 -0.222 11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.521 -0.832 11.655 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.147 -0.474 10.028 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.956 -1.682 10.546 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.021 -2.015 9.069 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.597 -3.361 10.080 1.00 0.00 H new ATOM 955 N TYR A 68 -1.493 -2.801 10.015 1.00 0.00 N ATOM 956 CA TYR A 68 -0.123 -2.588 10.447 1.00 0.00 C ATOM 957 C TYR A 68 -0.064 -1.601 11.615 1.00 0.00 C ATOM 958 O TYR A 68 -1.050 -0.931 11.916 1.00 0.00 O ATOM 959 CB TYR A 68 0.610 -1.984 9.247 1.00 0.00 C ATOM 960 CG TYR A 68 2.080 -1.658 9.515 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.893 -2.590 10.128 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.594 -0.432 9.144 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.277 -2.283 10.380 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.977 -0.125 9.396 1.00 0.00 C ATOM 965 CZ TYR A 68 4.751 -1.066 10.001 1.00 0.00 C ATOM 966 OH TYR A 68 6.058 -0.776 10.240 1.00 0.00 O ATOM 0 H TYR A 68 -1.627 -2.791 9.004 1.00 0.00 H new ATOM 0 HA TYR A 68 0.324 -3.525 10.781 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.550 -2.679 8.410 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.096 -1.072 8.942 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.491 -3.549 10.419 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.958 0.297 8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.924 -3.003 10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.391 0.831 9.111 1.00 0.00 H new ATOM 0 HH TYR A 68 6.276 -0.991 11.171 1.00 0.00 H new ATOM 976 N SER A 69 1.102 -1.542 12.241 1.00 0.00 N ATOM 977 CA SER A 69 1.303 -0.648 13.368 1.00 0.00 C ATOM 978 C SER A 69 1.991 0.636 12.902 1.00 0.00 C ATOM 979 O SER A 69 1.613 1.732 13.313 1.00 0.00 O ATOM 980 CB SER A 69 2.125 -1.323 14.468 1.00 0.00 C ATOM 981 OG SER A 69 3.341 -1.871 13.965 1.00 0.00 O ATOM 0 H SER A 69 1.918 -2.100 11.989 1.00 0.00 H new ATOM 0 HA SER A 69 0.327 -0.398 13.784 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.350 -0.597 15.249 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.534 -2.114 14.929 1.00 0.00 H new ATOM 0 HG SER A 69 3.838 -2.292 14.698 1.00 0.00 H new ATOM 987 N GLY A 70 2.991 0.457 12.051 1.00 0.00 N ATOM 988 CA GLY A 70 3.737 1.588 11.525 1.00 0.00 C ATOM 989 C GLY A 70 5.244 1.349 11.631 1.00 0.00 C ATOM 990 O GLY A 70 5.704 0.653 12.535 1.00 0.00 O ATOM 0 H GLY A 70 3.302 -0.454 11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.464 1.755 10.483 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.469 2.491 12.073 1.00 0.00 H new ATOM 994 N GLY A 71 5.972 1.937 10.693 1.00 0.00 N ATOM 995 CA GLY A 71 7.417 1.797 10.669 1.00 0.00 C ATOM 996 C GLY A 71 7.848 0.735 9.654 1.00 0.00 C ATOM 997 O GLY A 71 7.805 0.970 8.448 1.00 0.00 O ATOM 0 H GLY A 71 5.587 2.512 9.944 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.875 2.754 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.776 1.524 11.661 1.00 0.00 H new ATOM 1001 N SER A 72 8.255 -0.411 10.183 1.00 0.00 N ATOM 1002 CA SER A 72 8.693 -1.509 9.338 1.00 0.00 C ATOM 1003 C SER A 72 7.642 -2.622 9.338 1.00 0.00 C ATOM 1004 O SER A 72 7.678 -3.514 10.184 1.00 0.00 O ATOM 1005 CB SER A 72 10.045 -2.055 9.802 1.00 0.00 C ATOM 1006 OG SER A 72 10.025 -2.427 11.177 1.00 0.00 O ATOM 0 H SER A 72 8.290 -0.602 11.184 1.00 0.00 H new ATOM 0 HA SER A 72 8.813 -1.132 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.314 -2.920 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.815 -1.301 9.641 1.00 0.00 H new ATOM 0 HG SER A 72 9.212 -2.941 11.365 1.00 0.00 H new ATOM 1012 N PRO A 73 6.707 -2.529 8.355 1.00 0.00 N ATOM 1013 CA PRO A 73 5.648 -3.516 8.234 1.00 0.00 C ATOM 1014 C PRO A 73 6.183 -4.826 7.650 1.00 0.00 C ATOM 1015 O PRO A 73 5.625 -5.893 7.898 1.00 0.00 O ATOM 1016 CB PRO A 73 4.596 -2.859 7.355 1.00 0.00 C ATOM 1017 CG PRO A 73 5.304 -1.721 6.638 1.00 0.00 C ATOM 1018 CD PRO A 73 6.633 -1.486 7.336 1.00 0.00 C ATOM 0 HA PRO A 73 5.223 -3.797 9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.182 -3.572 6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.764 -2.487 7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.463 -1.971 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.695 -0.817 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.466 -1.557 6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.675 -0.493 7.783 1.00 0.00 H new ATOM 1026 N GLY A 74 7.257 -4.699 6.886 1.00 0.00 N ATOM 1027 CA GLY A 74 7.874 -5.860 6.265 1.00 0.00 C ATOM 1028 C GLY A 74 8.405 -5.518 4.871 1.00 0.00 C ATOM 1029 O GLY A 74 9.410 -4.820 4.740 1.00 0.00 O ATOM 0 H GLY A 74 7.716 -3.811 6.682 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.690 -6.221 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.146 -6.668 6.193 1.00 0.00 H new ATOM 1033 N ALA A 75 7.706 -6.025 3.866 1.00 0.00 N ATOM 1034 CA ALA A 75 8.096 -5.783 2.487 1.00 0.00 C ATOM 1035 C ALA A 75 6.852 -5.437 1.664 1.00 0.00 C ATOM 1036 O ALA A 75 6.867 -4.491 0.879 1.00 0.00 O ATOM 1037 CB ALA A 75 8.833 -7.007 1.942 1.00 0.00 C ATOM 0 H ALA A 75 6.872 -6.602 3.979 1.00 0.00 H new ATOM 0 HA ALA A 75 8.780 -4.937 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.125 -6.825 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.723 -7.193 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.177 -7.876 1.986 1.00 0.00 H new ATOM 1043 N ASP A 76 5.806 -6.222 1.874 1.00 0.00 N ATOM 1044 CA ASP A 76 4.558 -6.012 1.163 1.00 0.00 C ATOM 1045 C ASP A 76 3.975 -4.652 1.555 1.00 0.00 C ATOM 1046 O ASP A 76 3.816 -4.359 2.738 1.00 0.00 O ATOM 1047 CB ASP A 76 3.530 -7.087 1.521 1.00 0.00 C ATOM 1048 CG ASP A 76 4.109 -8.487 1.736 1.00 0.00 C ATOM 1049 OD1 ASP A 76 5.164 -8.765 1.128 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.481 -9.248 2.504 1.00 0.00 O ATOM 0 H ASP A 76 5.798 -7.005 2.527 1.00 0.00 H new ATOM 0 HA ASP A 76 4.769 -6.057 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.008 -6.782 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.785 -7.136 0.726 1.00 0.00 H new ATOM 1055 N ARG A 77 3.673 -3.858 0.538 1.00 0.00 N ATOM 1056 CA ARG A 77 3.112 -2.537 0.761 1.00 0.00 C ATOM 1057 C ARG A 77 2.084 -2.206 -0.323 1.00 0.00 C ATOM 1058 O ARG A 77 2.242 -2.606 -1.476 1.00 0.00 O ATOM 1059 CB ARG A 77 4.206 -1.467 0.762 1.00 0.00 C ATOM 1060 CG ARG A 77 5.445 -1.950 1.516 1.00 0.00 C ATOM 1061 CD ARG A 77 5.401 -1.514 2.981 1.00 0.00 C ATOM 1062 NE ARG A 77 6.761 -1.553 3.563 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.217 -2.543 4.343 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.423 -3.581 4.642 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.466 -2.495 4.828 1.00 0.00 N ATOM 0 H ARG A 77 3.806 -4.105 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 77 2.626 -2.544 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.475 -1.216 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.827 -0.555 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.509 -3.037 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 77 6.342 -1.552 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.993 -0.506 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.737 -2.170 3.544 1.00 0.00 H new ATOM 0 HE ARG A 77 7.391 -0.778 3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.472 -3.617 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.770 -4.334 5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.070 -1.704 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.812 -3.249 5.422 1.00 0.00 H new ATOM 1079 N VAL A 78 1.055 -1.478 0.085 1.00 0.00 N ATOM 1080 CA VAL A 78 0.001 -1.089 -0.838 1.00 0.00 C ATOM 1081 C VAL A 78 0.025 0.430 -1.021 1.00 0.00 C ATOM 1082 O VAL A 78 0.362 1.165 -0.094 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.348 -1.611 -0.342 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -1.390 -3.140 -0.372 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -1.658 -1.082 1.060 1.00 0.00 C ATOM 0 H VAL A 78 0.928 -1.147 1.042 1.00 0.00 H new ATOM 0 HA VAL A 78 0.166 -1.537 -1.818 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.119 -1.242 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.360 -3.484 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.235 -3.488 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.604 -3.538 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.623 -1.468 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.881 -1.408 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.691 0.007 1.039 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.337 0.855 -2.222 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.363 2.273 -2.538 1.00 0.00 C ATOM 1097 C VAL A 79 -1.690 2.618 -3.215 1.00 0.00 C ATOM 1098 O VAL A 79 -1.814 2.518 -4.434 1.00 0.00 O ATOM 1099 CB VAL A 79 0.855 2.641 -3.389 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.821 4.118 -3.784 1.00 0.00 C ATOM 1101 CG2 VAL A 79 2.156 2.297 -2.661 1.00 0.00 C ATOM 0 H VAL A 79 -0.615 0.242 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.300 2.868 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 79 0.817 2.049 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.697 4.353 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.082 4.320 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.823 4.735 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.006 2.568 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.205 2.850 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.185 1.227 -2.454 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.651 3.014 -2.393 1.00 0.00 N ATOM 1112 CA PHE A 80 -3.966 3.374 -2.896 1.00 0.00 C ATOM 1113 C PHE A 80 -4.112 4.892 -3.012 1.00 0.00 C ATOM 1114 O PHE A 80 -3.118 5.612 -3.091 1.00 0.00 O ATOM 1115 CB PHE A 80 -4.989 2.849 -1.888 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.928 3.538 -0.524 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.887 3.293 0.316 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.916 4.395 -0.150 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.831 3.932 1.583 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.859 5.035 1.117 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.818 4.790 1.957 1.00 0.00 C ATOM 0 H PHE A 80 -2.545 3.093 -1.382 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.116 2.946 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.989 2.974 -2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.832 1.779 -1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.103 2.612 0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.744 4.589 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.004 3.737 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.643 5.716 1.413 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.775 5.276 2.920 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.361 5.336 -3.016 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.651 6.755 -3.121 1.00 0.00 C ATOM 1133 C ASN A 81 -6.745 7.124 -2.116 1.00 0.00 C ATOM 1134 O ASN A 81 -7.000 6.378 -1.171 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.154 7.114 -4.519 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.753 6.045 -5.538 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -6.381 4.884 -5.379 1.00 0.00 O flip ATOM 1138 ND2 ASN A 81 -4.927 6.260 -6.410 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.184 4.737 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.730 7.302 -2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.239 7.218 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.746 8.079 -4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.482 7.175 -6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.682 5.524 -7.073 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.362 8.271 -2.355 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.422 8.746 -1.483 1.00 0.00 C ATOM 1147 C GLU A 82 -9.785 8.291 -2.007 1.00 0.00 C ATOM 1148 O GLU A 82 -10.822 8.762 -1.544 1.00 0.00 O ATOM 1149 CB GLU A 82 -8.372 10.269 -1.338 1.00 0.00 C ATOM 1150 CG GLU A 82 -8.581 10.687 0.119 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.437 11.953 0.209 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.227 12.842 -0.644 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -10.282 12.001 1.128 1.00 0.00 O ATOM 0 H GLU A 82 -7.148 8.886 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.272 8.314 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.411 10.640 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.140 10.723 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.063 9.878 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.615 10.862 0.593 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.739 7.378 -2.967 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.958 6.854 -3.560 1.00 0.00 C ATOM 1162 C ASN A 83 -11.241 5.464 -2.987 1.00 0.00 C ATOM 1163 O ASN A 83 -12.384 5.008 -2.990 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.818 6.720 -5.078 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.352 6.808 -5.504 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.750 5.628 -5.619 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.802 7.876 -5.714 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.877 6.988 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.769 7.546 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.238 5.768 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.391 7.506 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.322 8.747 -5.607 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.822 7.898 -5.996 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.181 4.829 -2.509 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.302 3.500 -1.934 1.00 0.00 C ATOM 1176 C ASN A 84 -9.754 2.469 -2.922 1.00 0.00 C ATOM 1177 O ASN A 84 -10.084 1.287 -2.839 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.765 3.153 -1.650 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.447 2.591 -2.899 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -11.916 3.016 -4.043 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.392 1.823 -2.829 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.235 5.210 -2.508 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.741 3.485 -1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.819 2.423 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.295 4.043 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.750 1.537 -1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.824 1.467 -3.682 1.00 0.00 H new ATOM 1188 N GLN A 85 -8.927 2.954 -3.837 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.331 2.090 -4.841 1.00 0.00 C ATOM 1190 C GLN A 85 -6.855 1.843 -4.521 1.00 0.00 C ATOM 1191 O GLN A 85 -6.083 2.789 -4.375 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.497 2.682 -6.242 1.00 0.00 C ATOM 1193 CG GLN A 85 -9.976 2.858 -6.591 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.144 3.699 -7.859 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.765 3.293 -8.827 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.557 4.891 -7.799 1.00 0.00 N ATOM 0 H GLN A 85 -8.656 3.935 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.851 1.132 -4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.990 3.645 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.022 2.030 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.438 1.881 -6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.495 3.338 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.052 5.169 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.612 5.527 -8.595 1.00 0.00 H new ATOM 1205 N LEU A 86 -6.508 0.569 -4.423 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.139 0.186 -4.123 1.00 0.00 C ATOM 1207 C LEU A 86 -4.378 -0.036 -5.432 1.00 0.00 C ATOM 1208 O LEU A 86 -4.977 -0.371 -6.452 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.114 -1.021 -3.183 1.00 0.00 C ATOM 1210 CG LEU A 86 -3.830 -1.211 -2.372 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.149 -1.537 -0.911 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -2.929 -2.270 -3.013 1.00 0.00 C ATOM 0 H LEU A 86 -7.152 -0.212 -4.546 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.627 0.986 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.950 -0.933 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.284 -1.921 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.278 -0.271 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.220 -1.667 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.722 -0.720 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.733 -2.456 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.023 -2.386 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.459 -3.221 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.662 -1.958 -4.023 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.070 0.159 -5.358 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.221 -0.015 -6.525 1.00 0.00 C ATOM 1226 C ALA A 87 -0.772 -0.206 -6.071 1.00 0.00 C ATOM 1227 O ALA A 87 -0.032 -0.994 -6.659 1.00 0.00 O ATOM 1228 CB ALA A 87 -2.385 1.183 -7.461 1.00 0.00 C ATOM 0 H ALA A 87 -2.577 0.436 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.513 -0.905 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.748 1.051 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.425 1.258 -7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.099 2.095 -6.938 1.00 0.00 H new ATOM 1234 N GLY A 88 -0.410 0.528 -5.030 1.00 0.00 N ATOM 1235 CA GLY A 88 0.937 0.449 -4.491 1.00 0.00 C ATOM 1236 C GLY A 88 1.168 -0.888 -3.785 1.00 0.00 C ATOM 1237 O GLY A 88 1.644 -0.923 -2.651 1.00 0.00 O ATOM 0 H GLY A 88 -1.026 1.181 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 88 1.662 0.569 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.100 1.267 -3.790 1.00 0.00 H new ATOM 1241 N VAL A 89 0.820 -1.958 -4.485 1.00 0.00 N ATOM 1242 CA VAL A 89 0.983 -3.295 -3.939 1.00 0.00 C ATOM 1243 C VAL A 89 2.442 -3.730 -4.095 1.00 0.00 C ATOM 1244 O VAL A 89 2.725 -4.915 -4.266 1.00 0.00 O ATOM 1245 CB VAL A 89 -0.001 -4.257 -4.607 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.647 -5.620 -4.857 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.278 -4.400 -3.776 1.00 0.00 C ATOM 0 H VAL A 89 0.426 -1.926 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 89 0.752 -3.303 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.276 -3.836 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.075 -6.284 -5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.512 -5.498 -5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.966 -6.051 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.960 -5.089 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.028 -4.787 -2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.757 -3.426 -3.674 1.00 0.00 H new ATOM 1257 N ILE A 90 3.328 -2.748 -4.031 1.00 0.00 N ATOM 1258 CA ILE A 90 4.751 -3.014 -4.162 1.00 0.00 C ATOM 1259 C ILE A 90 5.208 -3.906 -3.007 1.00 0.00 C ATOM 1260 O ILE A 90 4.410 -4.263 -2.141 1.00 0.00 O ATOM 1261 CB ILE A 90 5.534 -1.704 -4.275 1.00 0.00 C ATOM 1262 CG1 ILE A 90 5.671 -1.028 -2.908 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.901 -0.775 -5.312 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.730 0.172 -2.793 1.00 0.00 C ATOM 0 H ILE A 90 3.089 -1.767 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 90 4.952 -3.559 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 90 6.541 -1.936 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.448 -1.746 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.701 -0.702 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.477 0.149 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.898 -1.265 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.877 -0.546 -5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.847 0.634 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.972 0.899 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.699 -0.161 -2.916 1.00 0.00 H new ATOM 1276 N THR A 91 6.490 -4.239 -3.029 1.00 0.00 N ATOM 1277 CA THR A 91 7.063 -5.083 -1.993 1.00 0.00 C ATOM 1278 C THR A 91 8.588 -4.983 -2.007 1.00 0.00 C ATOM 1279 O THR A 91 9.187 -4.707 -3.047 1.00 0.00 O ATOM 1280 CB THR A 91 6.543 -6.507 -2.202 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.609 -7.335 -1.745 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.402 -6.866 -3.683 1.00 0.00 C ATOM 0 H THR A 91 7.149 -3.940 -3.748 1.00 0.00 H new ATOM 0 HA THR A 91 6.758 -4.754 -1.000 1.00 0.00 H new ATOM 0 HB THR A 91 5.578 -6.618 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.357 -8.277 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.030 -7.886 -3.776 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.702 -6.179 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.374 -6.788 -4.170 1.00 0.00 H new ATOM 1290 N HIS A 92 9.176 -5.215 -0.843 1.00 0.00 N ATOM 1291 CA HIS A 92 10.622 -5.155 -0.709 1.00 0.00 C ATOM 1292 C HIS A 92 11.247 -6.407 -1.325 1.00 0.00 C ATOM 1293 O HIS A 92 12.457 -6.608 -1.240 1.00 0.00 O ATOM 1294 CB HIS A 92 11.024 -4.950 0.754 1.00 0.00 C ATOM 1295 CG HIS A 92 10.856 -3.531 1.244 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.711 -2.950 2.163 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.925 -2.585 0.931 1.00 0.00 C ATOM 1298 CE1 HIS A 92 11.303 -1.709 2.389 1.00 0.00 C ATOM 1299 NE2 HIS A 92 10.194 -1.485 1.625 1.00 0.00 N ATOM 0 H HIS A 92 8.677 -5.445 0.017 1.00 0.00 H new ATOM 0 HA HIS A 92 11.006 -4.293 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.427 -5.613 1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.066 -5.246 0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 92 9.107 -2.709 0.236 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.766 -1.000 3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.660 -0.616 1.593 1.00 0.00 H new ATOM 1308 N THR A 93 10.393 -7.218 -1.932 1.00 0.00 N ATOM 1309 CA THR A 93 10.846 -8.446 -2.563 1.00 0.00 C ATOM 1310 C THR A 93 12.135 -8.197 -3.349 1.00 0.00 C ATOM 1311 O THR A 93 12.093 -7.901 -4.541 1.00 0.00 O ATOM 1312 CB THR A 93 9.703 -8.983 -3.427 1.00 0.00 C ATOM 1313 OG1 THR A 93 8.983 -9.846 -2.551 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.196 -9.910 -4.540 1.00 0.00 C ATOM 0 H THR A 93 9.389 -7.049 -2.000 1.00 0.00 H new ATOM 0 HA THR A 93 11.096 -9.204 -1.820 1.00 0.00 H new ATOM 0 HB THR A 93 9.156 -8.148 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.222 -10.237 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.345 -10.263 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.881 -9.366 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.714 -10.763 -4.101 1.00 0.00 H new ATOM 1322 N GLY A 94 13.252 -8.328 -2.647 1.00 0.00 N ATOM 1323 CA GLY A 94 14.551 -8.122 -3.264 1.00 0.00 C ATOM 1324 C GLY A 94 14.459 -7.116 -4.412 1.00 0.00 C ATOM 1325 O GLY A 94 15.092 -7.297 -5.452 1.00 0.00 O ATOM 0 H GLY A 94 13.284 -8.574 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.259 -7.763 -2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.935 -9.071 -3.637 1.00 0.00 H new ATOM 1329 N ALA A 95 13.666 -6.079 -4.187 1.00 0.00 N ATOM 1330 CA ALA A 95 13.484 -5.045 -5.191 1.00 0.00 C ATOM 1331 C ALA A 95 14.773 -4.232 -5.321 1.00 0.00 C ATOM 1332 O ALA A 95 14.880 -3.139 -4.766 1.00 0.00 O ATOM 1333 CB ALA A 95 12.282 -4.175 -4.816 1.00 0.00 C ATOM 0 H ALA A 95 13.142 -5.933 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 95 13.275 -5.489 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.145 -3.399 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.386 -4.794 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.457 -3.711 -3.845 1.00 0.00 H new ATOM 1339 N SER A 96 15.720 -4.796 -6.057 1.00 0.00 N ATOM 1340 CA SER A 96 16.998 -4.138 -6.265 1.00 0.00 C ATOM 1341 C SER A 96 17.520 -3.576 -4.942 1.00 0.00 C ATOM 1342 O SER A 96 18.385 -2.702 -4.932 1.00 0.00 O ATOM 1343 CB SER A 96 16.879 -3.023 -7.305 1.00 0.00 C ATOM 1344 OG SER A 96 18.114 -2.779 -7.972 1.00 0.00 O ATOM 0 H SER A 96 15.627 -5.702 -6.517 1.00 0.00 H new ATOM 0 HA SER A 96 17.705 -4.877 -6.642 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.118 -3.291 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.543 -2.108 -6.818 1.00 0.00 H new ATOM 0 HG SER A 96 17.995 -2.061 -8.629 1.00 0.00 H new ATOM 1350 N GLY A 97 16.971 -4.101 -3.856 1.00 0.00 N ATOM 1351 CA GLY A 97 17.371 -3.663 -2.529 1.00 0.00 C ATOM 1352 C GLY A 97 16.157 -3.230 -1.705 1.00 0.00 C ATOM 1353 O GLY A 97 15.317 -4.056 -1.349 1.00 0.00 O ATOM 0 H GLY A 97 16.253 -4.825 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.893 -4.472 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 97 18.073 -2.833 -2.612 1.00 0.00 H new ATOM 1357 N ASN A 98 16.102 -1.936 -1.427 1.00 0.00 N ATOM 1358 CA ASN A 98 15.003 -1.384 -0.651 1.00 0.00 C ATOM 1359 C ASN A 98 13.953 -0.806 -1.602 1.00 0.00 C ATOM 1360 O ASN A 98 12.947 -0.253 -1.160 1.00 0.00 O ATOM 1361 CB ASN A 98 15.486 -0.257 0.263 1.00 0.00 C ATOM 1362 CG ASN A 98 14.304 0.482 0.894 1.00 0.00 C ATOM 1363 OD1 ASN A 98 13.279 -0.304 1.206 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 14.323 1.687 1.086 1.00 0.00 N flip ATOM 0 H ASN A 98 16.800 -1.254 -1.725 1.00 0.00 H new ATOM 0 HA ASN A 98 14.583 -2.185 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 98 16.123 -0.667 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.095 0.444 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 98 15.144 2.233 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.518 2.149 1.510 1.00 0.00 H new ATOM 1371 N ASN A 99 14.224 -0.952 -2.891 1.00 0.00 N ATOM 1372 CA ASN A 99 13.316 -0.449 -3.908 1.00 0.00 C ATOM 1373 C ASN A 99 11.968 -1.163 -3.778 1.00 0.00 C ATOM 1374 O ASN A 99 11.869 -2.193 -3.114 1.00 0.00 O ATOM 1375 CB ASN A 99 13.859 -0.718 -5.313 1.00 0.00 C ATOM 1376 CG ASN A 99 13.014 -1.768 -6.037 1.00 0.00 C ATOM 1377 OD1 ASN A 99 11.805 -1.835 -5.892 1.00 0.00 O ATOM 1378 ND2 ASN A 99 13.716 -2.580 -6.821 1.00 0.00 N ATOM 0 H ASN A 99 15.059 -1.411 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 99 13.208 0.626 -3.763 1.00 0.00 H new ATOM 0 HB2 ASN A 99 13.865 0.208 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.892 -1.059 -5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.244 -3.315 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.727 -2.468 -6.896 1.00 0.00 H new ATOM 1385 N PHE A 100 10.965 -0.585 -4.424 1.00 0.00 N ATOM 1386 CA PHE A 100 9.628 -1.152 -4.388 1.00 0.00 C ATOM 1387 C PHE A 100 9.219 -1.678 -5.766 1.00 0.00 C ATOM 1388 O PHE A 100 9.749 -1.236 -6.785 1.00 0.00 O ATOM 1389 CB PHE A 100 8.676 -0.027 -3.982 1.00 0.00 C ATOM 1390 CG PHE A 100 8.608 0.216 -2.472 1.00 0.00 C ATOM 1391 CD1 PHE A 100 8.324 -0.813 -1.630 1.00 0.00 C ATOM 1392 CD2 PHE A 100 8.830 1.462 -1.974 1.00 0.00 C ATOM 1393 CE1 PHE A 100 8.262 -0.587 -0.229 1.00 0.00 C ATOM 1394 CE2 PHE A 100 8.767 1.687 -0.573 1.00 0.00 C ATOM 1395 CZ PHE A 100 8.484 0.659 0.269 1.00 0.00 C ATOM 0 H PHE A 100 11.052 0.269 -4.975 1.00 0.00 H new ATOM 0 HA PHE A 100 9.596 -1.985 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.988 0.894 -4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.676 -0.261 -4.347 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.146 -1.802 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.054 2.280 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 100 8.039 -1.404 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 100 8.944 2.676 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 100 8.435 0.831 1.334 1.00 0.00 H new ATOM 1405 N VAL A 101 8.281 -2.613 -5.753 1.00 0.00 N ATOM 1406 CA VAL A 101 7.794 -3.203 -6.989 1.00 0.00 C ATOM 1407 C VAL A 101 6.424 -3.837 -6.742 1.00 0.00 C ATOM 1408 O VAL A 101 6.266 -4.647 -5.831 1.00 0.00 O ATOM 1409 CB VAL A 101 8.823 -4.196 -7.534 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.147 -3.498 -7.849 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.034 -5.357 -6.559 1.00 0.00 C ATOM 0 H VAL A 101 7.845 -2.977 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 101 7.664 -2.437 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 101 8.431 -4.606 -8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.860 -4.227 -8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.981 -2.723 -8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.545 -3.046 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.770 -6.048 -6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.393 -4.970 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.090 -5.880 -6.407 1.00 0.00 H new ATOM 1421 N GLU A 102 5.468 -3.442 -7.570 1.00 0.00 N ATOM 1422 CA GLU A 102 4.116 -3.961 -7.453 1.00 0.00 C ATOM 1423 C GLU A 102 4.143 -5.481 -7.289 1.00 0.00 C ATOM 1424 O GLU A 102 4.729 -6.187 -8.108 1.00 0.00 O ATOM 1425 CB GLU A 102 3.267 -3.555 -8.660 1.00 0.00 C ATOM 1426 CG GLU A 102 4.146 -3.284 -9.883 1.00 0.00 C ATOM 1427 CD GLU A 102 3.344 -3.432 -11.177 1.00 0.00 C ATOM 1428 OE1 GLU A 102 2.368 -2.665 -11.331 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.725 -4.306 -11.984 1.00 0.00 O ATOM 0 H GLU A 102 5.603 -2.769 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 102 3.657 -3.528 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.553 -4.346 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.689 -2.663 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.561 -2.278 -9.821 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.988 -3.977 -9.891 1.00 0.00 H new ATOM 1436 N CYS A 103 3.502 -5.941 -6.224 1.00 0.00 N ATOM 1437 CA CYS A 103 3.446 -7.365 -5.941 1.00 0.00 C ATOM 1438 C CYS A 103 2.867 -8.075 -7.167 1.00 0.00 C ATOM 1439 O CYS A 103 2.899 -9.301 -7.250 1.00 0.00 O ATOM 1440 CB CYS A 103 2.637 -7.659 -4.676 1.00 0.00 C ATOM 1441 SG CYS A 103 3.505 -7.291 -3.107 1.00 0.00 S ATOM 0 H CYS A 103 3.017 -5.352 -5.547 1.00 0.00 H new ATOM 0 HA CYS A 103 4.451 -7.740 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.714 -7.080 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.353 -8.711 -4.680 1.00 0.00 H new ATOM 0 HG CYS A 103 2.892 -7.880 -2.124 1.00 0.00 H new ATOM 1446 N THR A 104 2.351 -7.273 -8.086 1.00 0.00 N ATOM 1447 CA THR A 104 1.765 -7.810 -9.303 1.00 0.00 C ATOM 1448 C THR A 104 0.262 -8.027 -9.121 1.00 0.00 C ATOM 1449 O THR A 104 -0.490 -8.040 -10.096 1.00 0.00 O ATOM 1450 CB THR A 104 2.523 -9.088 -9.669 1.00 0.00 C ATOM 1451 OG1 THR A 104 2.062 -10.049 -8.723 1.00 0.00 O ATOM 1452 CG2 THR A 104 4.023 -8.981 -9.389 1.00 0.00 C ATOM 0 H THR A 104 2.326 -6.256 -8.013 1.00 0.00 H new ATOM 0 HA THR A 104 1.862 -7.108 -10.131 1.00 0.00 H new ATOM 0 HB THR A 104 2.366 -9.312 -10.724 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.533 -9.923 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.512 -9.915 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 104 4.445 -8.163 -9.973 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.182 -8.789 -8.328 1.00 0.00 H new TER 1460 THR A 104