USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 791 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 57 SER OG : rot 180:sc= -0.662 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot -64:sc= 1.82 USER MOD Set 2.2: A 47 THR OG1 : rot 29:sc= 0.49 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 9 SER OG : rot 58:sc= 1.14 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 139:sc= 0.529 USER MOD Single : A 28 GLN : amide:sc= -2.41 K(o=-2.4,f=-5.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.509 F(o=-1.3!,f=-0.51) USER MOD Single : A 42 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.081) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 53 GLN : amide:sc= -1.57 K(o=-1.6,f=-5.5!) USER MOD Single : A 61 HIS : no HE2:sc= 0.629 K(o=0.63,f=-2!) USER MOD Single : A 62 MET CE :methyl -106:sc= -2.01 (180deg=-3.46!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.471 F(o=-1.1,f=-0.47) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -69:sc= -2.79! USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.8!) USER MOD Single : A 82 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.46) USER MOD Single : A 83 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.35) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.262 -0.380 0.357 1.00 75.43 N ATOM 2 CA GLY A 1 21.242 0.185 1.221 1.00 4.04 C ATOM 3 C GLY A 1 20.529 1.361 0.584 1.00 34.24 C ATOM 4 O GLY A 1 20.390 2.418 1.198 1.00 0.15 O ATOM 0 H1 GLY A 1 22.720 -1.180 0.838 1.00 75.43 H new ATOM 0 H2 GLY A 1 21.824 -0.711 -0.526 1.00 75.43 H new ATOM 0 H3 GLY A 1 22.974 0.346 0.139 1.00 75.43 H new ATOM 0 HA2 GLY A 1 20.513 -0.586 1.470 1.00 4.04 H new ATOM 0 HA3 GLY A 1 21.700 0.505 2.157 1.00 4.04 H new ATOM 8 N ALA A 2 20.076 1.177 -0.652 1.00 12.15 N ATOM 9 CA ALA A 2 19.372 2.231 -1.372 1.00 4.21 C ATOM 10 C ALA A 2 17.862 2.043 -1.284 1.00 32.43 C ATOM 11 O ALA A 2 17.380 1.112 -0.638 1.00 45.22 O ATOM 12 CB ALA A 2 19.818 2.264 -2.826 1.00 41.43 C ATOM 0 H ALA A 2 20.184 0.308 -1.175 1.00 12.15 H new ATOM 0 HA ALA A 2 19.620 3.184 -0.905 1.00 4.21 H new ATOM 0 HB1 ALA A 2 19.285 3.056 -3.352 1.00 41.43 H new ATOM 0 HB2 ALA A 2 20.890 2.455 -2.873 1.00 41.43 H new ATOM 0 HB3 ALA A 2 19.599 1.305 -3.295 1.00 41.43 H new ATOM 18 N GLU A 3 17.120 2.932 -1.936 1.00 52.02 N ATOM 19 CA GLU A 3 15.663 2.863 -1.929 1.00 63.00 C ATOM 20 C GLU A 3 15.094 3.249 -3.291 1.00 73.11 C ATOM 21 O GLU A 3 15.837 3.497 -4.239 1.00 41.42 O ATOM 22 CB GLU A 3 15.092 3.781 -0.846 1.00 43.35 C ATOM 23 CG GLU A 3 15.345 5.257 -1.105 1.00 3.13 C ATOM 24 CD GLU A 3 14.234 5.908 -1.906 1.00 24.12 C ATOM 25 OE1 GLU A 3 13.084 5.924 -1.421 1.00 73.25 O ATOM 26 OE2 GLU A 3 14.517 6.402 -3.018 1.00 32.32 O ATOM 0 H GLU A 3 17.503 3.708 -2.476 1.00 52.02 H new ATOM 0 HA GLU A 3 15.374 1.835 -1.712 1.00 63.00 H new ATOM 0 HB2 GLU A 3 14.018 3.613 -0.768 1.00 43.35 H new ATOM 0 HB3 GLU A 3 15.527 3.509 0.116 1.00 43.35 H new ATOM 0 HG2 GLU A 3 15.453 5.776 -0.152 1.00 3.13 H new ATOM 0 HG3 GLU A 3 16.288 5.372 -1.639 1.00 3.13 H new ATOM 33 N GLY A 4 13.768 3.296 -3.380 1.00 12.11 N ATOM 34 CA GLY A 4 13.120 3.651 -4.629 1.00 41.30 C ATOM 35 C GLY A 4 12.367 2.488 -5.243 1.00 30.20 C ATOM 36 O GLY A 4 12.307 1.404 -4.664 1.00 62.02 O ATOM 0 H GLY A 4 13.131 3.094 -2.609 1.00 12.11 H new ATOM 0 HA2 GLY A 4 12.429 4.476 -4.454 1.00 41.30 H new ATOM 0 HA3 GLY A 4 13.870 4.008 -5.335 1.00 41.30 H new ATOM 40 N ASN A 5 11.789 2.713 -6.418 1.00 50.34 N ATOM 41 CA ASN A 5 11.034 1.675 -7.110 1.00 54.23 C ATOM 42 C ASN A 5 11.380 1.649 -8.596 1.00 22.12 C ATOM 43 O ASN A 5 11.069 2.584 -9.335 1.00 21.24 O ATOM 44 CB ASN A 5 9.531 1.902 -6.930 1.00 4.25 C ATOM 45 CG ASN A 5 8.742 0.608 -6.967 1.00 24.42 C ATOM 46 OD1 ASN A 5 9.263 -0.439 -7.353 1.00 4.10 O ATOM 47 ND2 ASN A 5 7.479 0.673 -6.565 1.00 15.43 N ATOM 0 H ASN A 5 11.829 3.605 -6.911 1.00 50.34 H new ATOM 0 HA ASN A 5 11.305 0.713 -6.675 1.00 54.23 H new ATOM 0 HB2 ASN A 5 9.354 2.405 -5.980 1.00 4.25 H new ATOM 0 HB3 ASN A 5 9.170 2.567 -7.715 1.00 4.25 H new ATOM 0 HD21 ASN A 5 6.899 -0.166 -6.568 1.00 15.43 H new ATOM 0 HD22 ASN A 5 7.088 1.562 -6.253 1.00 15.43 H new ATOM 54 N THR A 6 12.026 0.570 -9.028 1.00 45.53 N ATOM 55 CA THR A 6 12.416 0.422 -10.425 1.00 21.33 C ATOM 56 C THR A 6 12.543 -1.049 -10.806 1.00 52.35 C ATOM 57 O THR A 6 13.361 -1.778 -10.245 1.00 65.23 O ATOM 58 CB THR A 6 13.752 1.132 -10.714 1.00 53.41 C ATOM 59 OG1 THR A 6 13.717 2.468 -10.200 1.00 40.52 O ATOM 60 CG2 THR A 6 14.034 1.166 -12.208 1.00 63.45 C ATOM 0 H THR A 6 12.290 -0.214 -8.431 1.00 45.53 H new ATOM 0 HA THR A 6 11.631 0.884 -11.023 1.00 21.33 H new ATOM 0 HB THR A 6 14.549 0.574 -10.222 1.00 53.41 H new ATOM 0 HG1 THR A 6 14.570 2.913 -10.386 1.00 40.52 H new ATOM 0 HG21 THR A 6 14.982 1.672 -12.388 1.00 63.45 H new ATOM 0 HG22 THR A 6 14.088 0.147 -12.591 1.00 63.45 H new ATOM 0 HG23 THR A 6 13.234 1.703 -12.717 1.00 63.45 H new ATOM 68 N LEU A 7 11.729 -1.479 -11.764 1.00 53.42 N ATOM 69 CA LEU A 7 11.750 -2.863 -12.222 1.00 64.52 C ATOM 70 C LEU A 7 12.966 -3.126 -13.105 1.00 24.22 C ATOM 71 O LEU A 7 13.115 -2.524 -14.169 1.00 20.14 O ATOM 72 CB LEU A 7 10.468 -3.187 -12.991 1.00 63.03 C ATOM 73 CG LEU A 7 9.990 -4.638 -12.918 1.00 51.55 C ATOM 74 CD1 LEU A 7 11.067 -5.581 -13.431 1.00 30.24 C ATOM 75 CD2 LEU A 7 9.596 -4.998 -11.494 1.00 34.24 C ATOM 0 H LEU A 7 11.046 -0.888 -12.239 1.00 53.42 H new ATOM 0 HA LEU A 7 11.813 -3.508 -11.346 1.00 64.52 H new ATOM 0 HB2 LEU A 7 9.671 -2.544 -12.617 1.00 63.03 H new ATOM 0 HB3 LEU A 7 10.621 -2.928 -14.039 1.00 63.03 H new ATOM 0 HG LEU A 7 9.111 -4.744 -13.554 1.00 51.55 H new ATOM 0 HD11 LEU A 7 10.709 -6.609 -13.371 1.00 30.24 H new ATOM 0 HD12 LEU A 7 11.300 -5.337 -14.468 1.00 30.24 H new ATOM 0 HD13 LEU A 7 11.965 -5.474 -12.822 1.00 30.24 H new ATOM 0 HD21 LEU A 7 9.258 -6.034 -11.461 1.00 34.24 H new ATOM 0 HD22 LEU A 7 10.457 -4.875 -10.836 1.00 34.24 H new ATOM 0 HD23 LEU A 7 8.790 -4.343 -11.163 1.00 34.24 H new ATOM 87 N ILE A 8 13.832 -4.030 -12.657 1.00 53.31 N ATOM 88 CA ILE A 8 15.033 -4.374 -13.408 1.00 35.30 C ATOM 89 C ILE A 8 15.182 -5.886 -13.542 1.00 40.13 C ATOM 90 O ILE A 8 14.336 -6.648 -13.074 1.00 2.32 O ATOM 91 CB ILE A 8 16.297 -3.802 -12.741 1.00 2.01 C ATOM 92 CG1 ILE A 8 16.390 -4.271 -11.287 1.00 42.34 C ATOM 93 CG2 ILE A 8 16.293 -2.282 -12.814 1.00 30.32 C ATOM 94 CD1 ILE A 8 17.811 -4.399 -10.784 1.00 33.04 C ATOM 0 H ILE A 8 13.724 -4.537 -11.778 1.00 53.31 H new ATOM 0 HA ILE A 8 14.924 -3.932 -14.399 1.00 35.30 H new ATOM 0 HB ILE A 8 17.171 -4.170 -13.278 1.00 2.01 H new ATOM 0 HG12 ILE A 8 15.850 -3.569 -10.652 1.00 42.34 H new ATOM 0 HG13 ILE A 8 15.891 -5.235 -11.192 1.00 42.34 H new ATOM 0 HG21 ILE A 8 17.193 -1.893 -12.338 1.00 30.32 H new ATOM 0 HG22 ILE A 8 16.269 -1.968 -13.857 1.00 30.32 H new ATOM 0 HG23 ILE A 8 15.414 -1.895 -12.299 1.00 30.32 H new ATOM 0 HD11 ILE A 8 17.801 -4.735 -9.747 1.00 33.04 H new ATOM 0 HD12 ILE A 8 18.349 -5.123 -11.395 1.00 33.04 H new ATOM 0 HD13 ILE A 8 18.308 -3.431 -10.847 1.00 33.04 H new ATOM 106 N SER A 9 16.265 -6.313 -14.184 1.00 32.30 N ATOM 107 CA SER A 9 16.525 -7.734 -14.382 1.00 31.40 C ATOM 108 C SER A 9 18.018 -7.995 -14.553 1.00 5.42 C ATOM 109 O SER A 9 18.773 -7.108 -14.953 1.00 61.22 O ATOM 110 CB SER A 9 15.763 -8.248 -15.605 1.00 30.40 C ATOM 111 OG SER A 9 16.326 -9.456 -16.086 1.00 62.51 O ATOM 0 H SER A 9 16.976 -5.695 -14.576 1.00 32.30 H new ATOM 0 HA SER A 9 16.180 -8.268 -13.496 1.00 31.40 H new ATOM 0 HB2 SER A 9 14.717 -8.409 -15.344 1.00 30.40 H new ATOM 0 HB3 SER A 9 15.783 -7.495 -16.393 1.00 30.40 H new ATOM 0 HG SER A 9 16.318 -10.127 -15.372 1.00 62.51 H new ATOM 117 N VAL A 10 18.439 -9.218 -14.246 1.00 15.11 N ATOM 118 CA VAL A 10 19.841 -9.597 -14.366 1.00 23.12 C ATOM 119 C VAL A 10 20.018 -11.104 -14.215 1.00 1.21 C ATOM 120 O VAL A 10 19.243 -11.764 -13.522 1.00 44.21 O ATOM 121 CB VAL A 10 20.708 -8.881 -13.313 1.00 21.52 C ATOM 122 CG1 VAL A 10 20.405 -9.413 -11.920 1.00 73.24 C ATOM 123 CG2 VAL A 10 22.185 -9.039 -13.643 1.00 32.14 C ATOM 0 H VAL A 10 17.828 -9.963 -13.912 1.00 15.11 H new ATOM 0 HA VAL A 10 20.167 -9.294 -15.361 1.00 23.12 H new ATOM 0 HB VAL A 10 20.466 -7.818 -13.330 1.00 21.52 H new ATOM 0 HG11 VAL A 10 21.027 -8.895 -11.190 1.00 73.24 H new ATOM 0 HG12 VAL A 10 19.354 -9.244 -11.687 1.00 73.24 H new ATOM 0 HG13 VAL A 10 20.617 -10.482 -11.885 1.00 73.24 H new ATOM 0 HG21 VAL A 10 22.783 -8.527 -12.889 1.00 32.14 H new ATOM 0 HG22 VAL A 10 22.444 -10.098 -13.654 1.00 32.14 H new ATOM 0 HG23 VAL A 10 22.387 -8.605 -14.622 1.00 32.14 H new ATOM 133 N ASP A 11 21.042 -11.642 -14.867 1.00 45.24 N ATOM 134 CA ASP A 11 21.323 -13.072 -14.805 1.00 11.52 C ATOM 135 C ASP A 11 22.322 -13.381 -13.695 1.00 23.23 C ATOM 136 O ASP A 11 22.709 -12.498 -12.929 1.00 52.43 O ATOM 137 CB ASP A 11 21.864 -13.566 -16.147 1.00 74.14 C ATOM 138 CG ASP A 11 23.163 -12.887 -16.534 1.00 31.23 C ATOM 139 OD1 ASP A 11 24.214 -13.249 -15.964 1.00 10.53 O ATOM 140 OD2 ASP A 11 23.129 -11.995 -17.407 1.00 31.13 O ATOM 0 H ASP A 11 21.692 -11.110 -15.445 1.00 45.24 H new ATOM 0 HA ASP A 11 20.390 -13.591 -14.585 1.00 11.52 H new ATOM 0 HB2 ASP A 11 22.022 -14.643 -16.097 1.00 74.14 H new ATOM 0 HB3 ASP A 11 21.119 -13.388 -16.923 1.00 74.14 H new ATOM 145 N TYR A 12 22.736 -14.641 -13.613 1.00 13.15 N ATOM 146 CA TYR A 12 23.687 -15.068 -12.594 1.00 23.13 C ATOM 147 C TYR A 12 24.347 -16.387 -12.984 1.00 23.24 C ATOM 148 O TYR A 12 23.772 -17.187 -13.721 1.00 42.44 O ATOM 149 CB TYR A 12 22.987 -15.215 -11.242 1.00 22.33 C ATOM 150 CG TYR A 12 21.679 -15.970 -11.316 1.00 63.41 C ATOM 151 CD1 TYR A 12 21.658 -17.359 -11.372 1.00 4.33 C ATOM 152 CD2 TYR A 12 20.465 -15.296 -11.332 1.00 12.11 C ATOM 153 CE1 TYR A 12 20.466 -18.053 -11.441 1.00 10.15 C ATOM 154 CE2 TYR A 12 19.268 -15.982 -11.399 1.00 14.10 C ATOM 155 CZ TYR A 12 19.273 -17.360 -11.453 1.00 64.13 C ATOM 156 OH TYR A 12 18.083 -18.047 -11.522 1.00 30.13 O ATOM 0 H TYR A 12 22.428 -15.384 -14.240 1.00 13.15 H new ATOM 0 HA TYR A 12 24.461 -14.305 -12.513 1.00 23.13 H new ATOM 0 HB2 TYR A 12 23.655 -15.729 -10.551 1.00 22.33 H new ATOM 0 HB3 TYR A 12 22.802 -14.224 -10.829 1.00 22.33 H new ATOM 0 HD1 TYR A 12 22.590 -17.905 -11.361 1.00 4.33 H new ATOM 0 HD2 TYR A 12 20.457 -14.217 -11.291 1.00 12.11 H new ATOM 0 HE1 TYR A 12 20.468 -19.132 -11.485 1.00 10.15 H new ATOM 0 HE2 TYR A 12 18.333 -15.442 -11.409 1.00 14.10 H new ATOM 0 HH TYR A 12 17.337 -17.411 -11.520 1.00 30.13 H new ATOM 166 N GLU A 13 25.558 -16.607 -12.481 1.00 44.43 N ATOM 167 CA GLU A 13 26.297 -17.828 -12.777 1.00 24.40 C ATOM 168 C GLU A 13 26.934 -18.398 -11.513 1.00 23.42 C ATOM 169 O GLU A 13 27.280 -17.658 -10.592 1.00 21.25 O ATOM 170 CB GLU A 13 27.377 -17.557 -13.827 1.00 13.30 C ATOM 171 CG GLU A 13 27.843 -18.805 -14.558 1.00 0.44 C ATOM 172 CD GLU A 13 28.586 -18.486 -15.840 1.00 64.23 C ATOM 173 OE1 GLU A 13 27.920 -18.224 -16.863 1.00 62.14 O ATOM 174 OE2 GLU A 13 29.835 -18.499 -15.820 1.00 61.04 O ATOM 0 H GLU A 13 26.047 -15.956 -11.867 1.00 44.43 H new ATOM 0 HA GLU A 13 25.593 -18.561 -13.172 1.00 24.40 H new ATOM 0 HB2 GLU A 13 26.993 -16.842 -14.555 1.00 13.30 H new ATOM 0 HB3 GLU A 13 28.234 -17.089 -13.342 1.00 13.30 H new ATOM 0 HG2 GLU A 13 28.491 -19.385 -13.901 1.00 0.44 H new ATOM 0 HG3 GLU A 13 26.980 -19.430 -14.788 1.00 0.44 H new ATOM 181 N ILE A 14 27.085 -19.718 -11.477 1.00 21.11 N ATOM 182 CA ILE A 14 27.680 -20.387 -10.327 1.00 24.31 C ATOM 183 C ILE A 14 28.698 -21.435 -10.766 1.00 53.24 C ATOM 184 O ILE A 14 28.515 -22.105 -11.783 1.00 44.21 O ATOM 185 CB ILE A 14 26.608 -21.064 -9.452 1.00 64.34 C ATOM 186 CG1 ILE A 14 25.537 -20.051 -9.044 1.00 43.34 C ATOM 187 CG2 ILE A 14 27.247 -21.692 -8.223 1.00 22.14 C ATOM 188 CD1 ILE A 14 26.067 -18.925 -8.184 1.00 31.34 C ATOM 0 H ILE A 14 26.804 -20.345 -12.231 1.00 21.11 H new ATOM 0 HA ILE A 14 28.183 -19.618 -9.741 1.00 24.31 H new ATOM 0 HB ILE A 14 26.131 -21.854 -10.033 1.00 64.34 H new ATOM 0 HG12 ILE A 14 25.086 -19.630 -9.942 1.00 43.34 H new ATOM 0 HG13 ILE A 14 24.746 -20.569 -8.503 1.00 43.34 H new ATOM 0 HG21 ILE A 14 26.477 -22.166 -7.615 1.00 22.14 H new ATOM 0 HG22 ILE A 14 27.976 -22.440 -8.534 1.00 22.14 H new ATOM 0 HG23 ILE A 14 27.747 -20.920 -7.638 1.00 22.14 H new ATOM 0 HD11 ILE A 14 25.253 -18.245 -7.933 1.00 31.34 H new ATOM 0 HD12 ILE A 14 26.493 -19.336 -7.268 1.00 31.34 H new ATOM 0 HD13 ILE A 14 26.838 -18.382 -8.730 1.00 31.34 H new ATOM 200 N PHE A 15 29.769 -21.572 -9.992 1.00 62.24 N ATOM 201 CA PHE A 15 30.816 -22.539 -10.301 1.00 22.31 C ATOM 202 C PHE A 15 31.282 -23.258 -9.038 1.00 72.11 C ATOM 203 O PHE A 15 31.115 -22.756 -7.927 1.00 50.04 O ATOM 204 CB PHE A 15 32.002 -21.842 -10.971 1.00 60.53 C ATOM 205 CG PHE A 15 33.034 -22.795 -11.505 1.00 13.04 C ATOM 206 CD1 PHE A 15 32.826 -23.464 -12.700 1.00 52.00 C ATOM 207 CD2 PHE A 15 34.212 -23.021 -10.811 1.00 15.12 C ATOM 208 CE1 PHE A 15 33.773 -24.342 -13.192 1.00 42.54 C ATOM 209 CE2 PHE A 15 35.163 -23.897 -11.298 1.00 71.15 C ATOM 210 CZ PHE A 15 34.944 -24.557 -12.491 1.00 73.45 C ATOM 0 H PHE A 15 29.935 -21.026 -9.147 1.00 62.24 H new ATOM 0 HA PHE A 15 30.402 -23.278 -10.987 1.00 22.31 H new ATOM 0 HB2 PHE A 15 31.634 -21.222 -11.788 1.00 60.53 H new ATOM 0 HB3 PHE A 15 32.474 -21.173 -10.251 1.00 60.53 H new ATOM 0 HD1 PHE A 15 31.914 -23.298 -13.253 1.00 52.00 H new ATOM 0 HD2 PHE A 15 34.389 -22.506 -9.878 1.00 15.12 H new ATOM 0 HE1 PHE A 15 33.598 -24.860 -14.124 1.00 42.54 H new ATOM 0 HE2 PHE A 15 36.076 -24.065 -10.746 1.00 71.15 H new ATOM 0 HZ PHE A 15 35.687 -25.240 -12.875 1.00 73.45 H new ATOM 220 N GLY A 16 31.867 -24.439 -9.218 1.00 12.33 N ATOM 221 CA GLY A 16 32.347 -25.209 -8.085 1.00 40.51 C ATOM 222 C GLY A 16 31.879 -26.650 -8.124 1.00 3.24 C ATOM 223 O GLY A 16 32.044 -27.338 -9.131 1.00 42.33 O ATOM 0 H GLY A 16 32.017 -24.876 -10.128 1.00 12.33 H new ATOM 0 HA2 GLY A 16 33.437 -25.184 -8.068 1.00 40.51 H new ATOM 0 HA3 GLY A 16 32.003 -24.743 -7.161 1.00 40.51 H new ATOM 227 N LYS A 17 31.295 -27.110 -7.023 1.00 30.14 N ATOM 228 CA LYS A 17 30.802 -28.479 -6.933 1.00 33.32 C ATOM 229 C LYS A 17 29.320 -28.548 -7.290 1.00 24.53 C ATOM 230 O LYS A 17 28.555 -29.283 -6.666 1.00 32.35 O ATOM 231 CB LYS A 17 31.024 -29.032 -5.523 1.00 51.21 C ATOM 232 CG LYS A 17 30.871 -30.540 -5.430 1.00 32.12 C ATOM 233 CD LYS A 17 32.221 -31.237 -5.404 1.00 33.12 C ATOM 234 CE LYS A 17 32.123 -32.661 -5.930 1.00 42.34 C ATOM 235 NZ LYS A 17 33.358 -33.443 -5.646 1.00 31.21 N ATOM 0 H LYS A 17 31.151 -26.554 -6.180 1.00 30.14 H new ATOM 0 HA LYS A 17 31.359 -29.087 -7.646 1.00 33.32 H new ATOM 0 HB2 LYS A 17 32.023 -28.755 -5.186 1.00 51.21 H new ATOM 0 HB3 LYS A 17 30.316 -28.561 -4.841 1.00 51.21 H new ATOM 0 HG2 LYS A 17 30.311 -30.795 -4.530 1.00 32.12 H new ATOM 0 HG3 LYS A 17 30.291 -30.901 -6.279 1.00 32.12 H new ATOM 0 HD2 LYS A 17 32.934 -30.674 -6.006 1.00 33.12 H new ATOM 0 HD3 LYS A 17 32.605 -31.250 -4.384 1.00 33.12 H new ATOM 0 HE2 LYS A 17 31.266 -33.158 -5.476 1.00 42.34 H new ATOM 0 HE3 LYS A 17 31.946 -32.640 -7.005 1.00 42.34 H new ATOM 0 HZ1 LYS A 17 33.252 -34.408 -6.020 1.00 31.21 H new ATOM 0 HZ2 LYS A 17 34.172 -32.983 -6.101 1.00 31.21 H new ATOM 0 HZ3 LYS A 17 33.514 -33.485 -4.619 1.00 31.21 H new ATOM 249 N VAL A 18 28.923 -27.780 -8.299 1.00 13.44 N ATOM 250 CA VAL A 18 27.533 -27.756 -8.740 1.00 44.12 C ATOM 251 C VAL A 18 27.315 -28.699 -9.918 1.00 41.32 C ATOM 252 O VAL A 18 26.603 -28.368 -10.866 1.00 34.44 O ATOM 253 CB VAL A 18 27.098 -26.335 -9.146 1.00 72.42 C ATOM 254 CG1 VAL A 18 27.070 -25.418 -7.933 1.00 60.12 C ATOM 255 CG2 VAL A 18 28.020 -25.783 -10.222 1.00 4.41 C ATOM 0 H VAL A 18 29.544 -27.166 -8.827 1.00 13.44 H new ATOM 0 HA VAL A 18 26.927 -28.086 -7.897 1.00 44.12 H new ATOM 0 HB VAL A 18 26.089 -26.385 -9.556 1.00 72.42 H new ATOM 0 HG11 VAL A 18 26.761 -24.419 -8.239 1.00 60.12 H new ATOM 0 HG12 VAL A 18 26.365 -25.807 -7.199 1.00 60.12 H new ATOM 0 HG13 VAL A 18 28.065 -25.370 -7.490 1.00 60.12 H new ATOM 0 HG21 VAL A 18 27.698 -24.779 -10.497 1.00 4.41 H new ATOM 0 HG22 VAL A 18 29.041 -25.746 -9.842 1.00 4.41 H new ATOM 0 HG23 VAL A 18 27.983 -26.429 -11.099 1.00 4.41 H new ATOM 265 N GLN A 19 27.933 -29.874 -9.851 1.00 12.40 N ATOM 266 CA GLN A 19 27.806 -30.865 -10.913 1.00 14.21 C ATOM 267 C GLN A 19 27.298 -32.193 -10.360 1.00 42.43 C ATOM 268 O GLN A 19 27.919 -32.788 -9.481 1.00 32.31 O ATOM 269 CB GLN A 19 29.151 -31.070 -11.611 1.00 71.23 C ATOM 270 CG GLN A 19 30.307 -31.298 -10.651 1.00 12.05 C ATOM 271 CD GLN A 19 31.646 -31.375 -11.357 1.00 20.44 C ATOM 272 OE1 GLN A 19 32.611 -30.724 -10.956 1.00 11.15 O ATOM 273 NE2 GLN A 19 31.712 -32.175 -12.415 1.00 3.03 N ATOM 0 H GLN A 19 28.526 -30.163 -9.073 1.00 12.40 H new ATOM 0 HA GLN A 19 27.082 -30.494 -11.638 1.00 14.21 H new ATOM 0 HB2 GLN A 19 29.075 -31.924 -12.284 1.00 71.23 H new ATOM 0 HB3 GLN A 19 29.368 -30.197 -12.227 1.00 71.23 H new ATOM 0 HG2 GLN A 19 30.332 -30.490 -9.920 1.00 12.05 H new ATOM 0 HG3 GLN A 19 30.138 -32.222 -10.098 1.00 12.05 H new ATOM 0 HE21 GLN A 19 30.887 -32.696 -12.712 1.00 3.03 H new ATOM 0 HE22 GLN A 19 32.587 -32.268 -12.930 1.00 3.03 H new ATOM 282 N GLY A 20 26.164 -32.651 -10.883 1.00 5.05 N ATOM 283 CA GLY A 20 25.593 -33.905 -10.429 1.00 35.12 C ATOM 284 C GLY A 20 24.709 -33.732 -9.210 1.00 14.24 C ATOM 285 O GLY A 20 24.493 -34.677 -8.450 1.00 41.34 O ATOM 0 H GLY A 20 25.632 -32.176 -11.612 1.00 5.05 H new ATOM 0 HA2 GLY A 20 25.010 -34.349 -11.236 1.00 35.12 H new ATOM 0 HA3 GLY A 20 26.397 -34.603 -10.195 1.00 35.12 H new ATOM 289 N VAL A 21 24.196 -32.520 -9.020 1.00 22.05 N ATOM 290 CA VAL A 21 23.331 -32.225 -7.883 1.00 62.44 C ATOM 291 C VAL A 21 22.136 -31.379 -8.307 1.00 44.43 C ATOM 292 O VAL A 21 21.981 -31.050 -9.484 1.00 1.44 O ATOM 293 CB VAL A 21 24.099 -31.489 -6.770 1.00 31.15 C ATOM 294 CG1 VAL A 21 25.176 -32.387 -6.180 1.00 1.31 C ATOM 295 CG2 VAL A 21 24.702 -30.198 -7.302 1.00 70.25 C ATOM 0 H VAL A 21 24.364 -31.727 -9.639 1.00 22.05 H new ATOM 0 HA VAL A 21 22.977 -33.181 -7.498 1.00 62.44 H new ATOM 0 HB VAL A 21 23.397 -31.234 -5.976 1.00 31.15 H new ATOM 0 HG11 VAL A 21 25.708 -31.850 -5.395 1.00 1.31 H new ATOM 0 HG12 VAL A 21 24.715 -33.280 -5.759 1.00 1.31 H new ATOM 0 HG13 VAL A 21 25.878 -32.675 -6.962 1.00 1.31 H new ATOM 0 HG21 VAL A 21 25.241 -29.691 -6.502 1.00 70.25 H new ATOM 0 HG22 VAL A 21 25.391 -30.426 -8.115 1.00 70.25 H new ATOM 0 HG23 VAL A 21 23.907 -29.550 -7.671 1.00 70.25 H new ATOM 305 N PHE A 22 21.294 -31.028 -7.341 1.00 61.02 N ATOM 306 CA PHE A 22 20.112 -30.219 -7.614 1.00 32.10 C ATOM 307 C PHE A 22 20.466 -28.735 -7.656 1.00 72.55 C ATOM 308 O PHE A 22 20.405 -28.042 -6.641 1.00 41.11 O ATOM 309 CB PHE A 22 19.040 -30.469 -6.551 1.00 24.14 C ATOM 310 CG PHE A 22 18.630 -31.910 -6.441 1.00 15.45 C ATOM 311 CD1 PHE A 22 17.882 -32.509 -7.441 1.00 52.24 C ATOM 312 CD2 PHE A 22 18.992 -32.665 -5.337 1.00 15.43 C ATOM 313 CE1 PHE A 22 17.502 -33.834 -7.342 1.00 51.11 C ATOM 314 CE2 PHE A 22 18.615 -33.990 -5.232 1.00 72.40 C ATOM 315 CZ PHE A 22 17.870 -34.576 -6.237 1.00 12.02 C ATOM 0 H PHE A 22 21.408 -31.291 -6.362 1.00 61.02 H new ATOM 0 HA PHE A 22 19.722 -30.509 -8.589 1.00 32.10 H new ATOM 0 HB2 PHE A 22 19.412 -30.131 -5.584 1.00 24.14 H new ATOM 0 HB3 PHE A 22 18.162 -29.866 -6.783 1.00 24.14 H new ATOM 0 HD1 PHE A 22 17.592 -31.934 -8.308 1.00 52.24 H new ATOM 0 HD2 PHE A 22 19.576 -32.212 -4.549 1.00 15.43 H new ATOM 0 HE1 PHE A 22 16.918 -34.289 -8.128 1.00 51.11 H new ATOM 0 HE2 PHE A 22 18.902 -34.567 -4.365 1.00 72.40 H new ATOM 0 HZ PHE A 22 17.576 -35.612 -6.159 1.00 12.02 H new ATOM 325 N PHE A 23 20.836 -28.255 -8.839 1.00 23.50 N ATOM 326 CA PHE A 23 21.202 -26.855 -9.015 1.00 10.20 C ATOM 327 C PHE A 23 20.231 -26.154 -9.960 1.00 53.32 C ATOM 328 O PHE A 23 20.585 -25.176 -10.619 1.00 5.03 O ATOM 329 CB PHE A 23 22.629 -26.742 -9.556 1.00 73.32 C ATOM 330 CG PHE A 23 22.909 -27.669 -10.704 1.00 61.24 C ATOM 331 CD1 PHE A 23 22.349 -27.439 -11.951 1.00 3.33 C ATOM 332 CD2 PHE A 23 23.732 -28.771 -10.537 1.00 60.31 C ATOM 333 CE1 PHE A 23 22.606 -28.289 -13.010 1.00 34.55 C ATOM 334 CE2 PHE A 23 23.992 -29.625 -11.592 1.00 62.23 C ATOM 335 CZ PHE A 23 23.427 -29.385 -12.830 1.00 4.24 C ATOM 0 H PHE A 23 20.890 -28.815 -9.690 1.00 23.50 H new ATOM 0 HA PHE A 23 21.151 -26.367 -8.042 1.00 10.20 H new ATOM 0 HB2 PHE A 23 22.808 -25.716 -9.876 1.00 73.32 H new ATOM 0 HB3 PHE A 23 23.332 -26.951 -8.750 1.00 73.32 H new ATOM 0 HD1 PHE A 23 21.704 -26.585 -12.097 1.00 3.33 H new ATOM 0 HD2 PHE A 23 24.175 -28.965 -9.571 1.00 60.31 H new ATOM 0 HE1 PHE A 23 22.165 -28.096 -13.977 1.00 34.55 H new ATOM 0 HE2 PHE A 23 24.637 -30.480 -11.449 1.00 62.23 H new ATOM 0 HZ PHE A 23 23.627 -30.053 -13.655 1.00 4.24 H new ATOM 345 N ARG A 24 19.004 -26.661 -10.021 1.00 71.25 N ATOM 346 CA ARG A 24 17.981 -26.086 -10.887 1.00 4.22 C ATOM 347 C ARG A 24 16.666 -25.911 -10.133 1.00 23.41 C ATOM 348 O ARG A 24 16.089 -24.824 -10.112 1.00 61.04 O ATOM 349 CB ARG A 24 17.764 -26.972 -12.115 1.00 21.35 C ATOM 350 CG ARG A 24 17.640 -26.193 -13.414 1.00 21.42 C ATOM 351 CD ARG A 24 17.467 -27.122 -14.606 1.00 21.04 C ATOM 352 NE ARG A 24 18.733 -27.721 -15.021 1.00 53.32 N ATOM 353 CZ ARG A 24 18.858 -28.516 -16.078 1.00 35.02 C ATOM 354 NH1 ARG A 24 17.799 -28.806 -16.822 1.00 23.31 N ATOM 355 NH2 ARG A 24 20.043 -29.022 -16.392 1.00 61.42 N ATOM 0 H ARG A 24 18.694 -27.469 -9.481 1.00 71.25 H new ATOM 0 HA ARG A 24 18.326 -25.105 -11.213 1.00 4.22 H new ATOM 0 HB2 ARG A 24 18.595 -27.672 -12.199 1.00 21.35 H new ATOM 0 HB3 ARG A 24 16.861 -27.565 -11.969 1.00 21.35 H new ATOM 0 HG2 ARG A 24 16.789 -25.515 -13.353 1.00 21.42 H new ATOM 0 HG3 ARG A 24 18.528 -25.578 -13.557 1.00 21.42 H new ATOM 0 HD2 ARG A 24 16.759 -27.911 -14.351 1.00 21.04 H new ATOM 0 HD3 ARG A 24 17.038 -26.566 -15.440 1.00 21.04 H new ATOM 0 HE ARG A 24 19.566 -27.518 -14.469 1.00 53.32 H new ATOM 0 HH11 ARG A 24 16.886 -28.418 -16.583 1.00 23.31 H new ATOM 0 HH12 ARG A 24 17.897 -29.417 -17.633 1.00 23.31 H new ATOM 0 HH21 ARG A 24 20.859 -28.801 -15.822 1.00 61.42 H new ATOM 0 HH22 ARG A 24 20.138 -29.632 -17.204 1.00 61.42 H new ATOM 369 N LYS A 25 16.197 -26.990 -9.514 1.00 44.25 N ATOM 370 CA LYS A 25 14.951 -26.958 -8.758 1.00 41.43 C ATOM 371 C LYS A 25 15.062 -26.011 -7.567 1.00 31.40 C ATOM 372 O LYS A 25 14.087 -25.365 -7.182 1.00 50.22 O ATOM 373 CB LYS A 25 14.588 -28.363 -8.275 1.00 35.34 C ATOM 374 CG LYS A 25 13.139 -28.500 -7.838 1.00 24.55 C ATOM 375 CD LYS A 25 12.839 -29.903 -7.336 1.00 73.14 C ATOM 376 CE LYS A 25 11.391 -30.037 -6.891 1.00 75.42 C ATOM 377 NZ LYS A 25 11.043 -31.445 -6.550 1.00 43.31 N ATOM 0 H LYS A 25 16.662 -27.898 -9.521 1.00 44.25 H new ATOM 0 HA LYS A 25 14.164 -26.593 -9.417 1.00 41.43 H new ATOM 0 HB2 LYS A 25 14.786 -29.076 -9.075 1.00 35.34 H new ATOM 0 HB3 LYS A 25 15.237 -28.631 -7.441 1.00 35.34 H new ATOM 0 HG2 LYS A 25 12.925 -27.777 -7.051 1.00 24.55 H new ATOM 0 HG3 LYS A 25 12.482 -28.263 -8.675 1.00 24.55 H new ATOM 0 HD2 LYS A 25 13.047 -30.625 -8.125 1.00 73.14 H new ATOM 0 HD3 LYS A 25 13.500 -30.142 -6.503 1.00 73.14 H new ATOM 0 HE2 LYS A 25 11.217 -29.400 -6.024 1.00 75.42 H new ATOM 0 HE3 LYS A 25 10.733 -29.682 -7.684 1.00 75.42 H new ATOM 0 HZ1 LYS A 25 10.048 -31.494 -6.252 1.00 43.31 H new ATOM 0 HZ2 LYS A 25 11.184 -32.049 -7.384 1.00 43.31 H new ATOM 0 HZ3 LYS A 25 11.653 -31.776 -5.776 1.00 43.31 H new ATOM 391 N HIS A 26 16.256 -25.934 -6.987 1.00 53.15 N ATOM 392 CA HIS A 26 16.494 -25.064 -5.841 1.00 31.52 C ATOM 393 C HIS A 26 16.786 -23.637 -6.293 1.00 15.22 C ATOM 394 O HIS A 26 16.523 -22.678 -5.566 1.00 54.34 O ATOM 395 CB HIS A 26 17.659 -25.595 -5.005 1.00 31.21 C ATOM 396 CG HIS A 26 17.234 -26.510 -3.898 1.00 31.12 C ATOM 397 ND1 HIS A 26 17.150 -26.110 -2.581 1.00 10.30 N ATOM 398 CD2 HIS A 26 16.866 -27.813 -3.918 1.00 0.44 C ATOM 399 CE1 HIS A 26 16.751 -27.127 -1.838 1.00 54.35 C ATOM 400 NE2 HIS A 26 16.571 -28.172 -2.626 1.00 32.04 N ATOM 0 H HIS A 26 17.073 -26.463 -7.292 1.00 53.15 H new ATOM 0 HA HIS A 26 15.592 -25.055 -5.230 1.00 31.52 H new ATOM 0 HB2 HIS A 26 18.352 -26.126 -5.658 1.00 31.21 H new ATOM 0 HB3 HIS A 26 18.204 -24.752 -4.580 1.00 31.21 H new ATOM 0 HD2 HIS A 26 16.814 -28.451 -4.788 1.00 0.44 H new ATOM 0 HE1 HIS A 26 16.598 -27.107 -0.769 1.00 54.35 H new ATOM 0 HE2 HIS A 26 16.263 -29.096 -2.324 1.00 32.04 H new ATOM 408 N THR A 27 17.332 -23.502 -7.498 1.00 34.35 N ATOM 409 CA THR A 27 17.661 -22.193 -8.046 1.00 11.34 C ATOM 410 C THR A 27 16.412 -21.475 -8.544 1.00 73.43 C ATOM 411 O THR A 27 16.363 -20.246 -8.578 1.00 63.22 O ATOM 412 CB THR A 27 18.671 -22.306 -9.203 1.00 53.13 C ATOM 413 OG1 THR A 27 19.845 -22.998 -8.764 1.00 35.04 O ATOM 414 CG2 THR A 27 19.053 -20.929 -9.724 1.00 41.24 C ATOM 0 H THR A 27 17.556 -24.285 -8.113 1.00 34.35 H new ATOM 0 HA THR A 27 18.110 -21.616 -7.237 1.00 11.34 H new ATOM 0 HB THR A 27 18.202 -22.866 -10.012 1.00 53.13 H new ATOM 0 HG1 THR A 27 20.143 -23.614 -9.466 1.00 35.04 H new ATOM 0 HG21 THR A 27 19.767 -21.034 -10.541 1.00 41.24 H new ATOM 0 HG22 THR A 27 18.161 -20.417 -10.085 1.00 41.24 H new ATOM 0 HG23 THR A 27 19.504 -20.348 -8.920 1.00 41.24 H new ATOM 422 N GLN A 28 15.404 -22.251 -8.930 1.00 34.24 N ATOM 423 CA GLN A 28 14.154 -21.688 -9.427 1.00 33.25 C ATOM 424 C GLN A 28 13.350 -21.061 -8.292 1.00 71.41 C ATOM 425 O GLN A 28 13.083 -19.860 -8.297 1.00 61.14 O ATOM 426 CB GLN A 28 13.323 -22.769 -10.120 1.00 33.45 C ATOM 427 CG GLN A 28 12.010 -22.256 -10.689 1.00 30.21 C ATOM 428 CD GLN A 28 12.201 -21.086 -11.634 1.00 24.31 C ATOM 429 OE1 GLN A 28 12.278 -21.262 -12.850 1.00 65.12 O ATOM 430 NE2 GLN A 28 12.279 -19.883 -11.078 1.00 41.23 N ATOM 0 H GLN A 28 15.429 -23.270 -8.908 1.00 34.24 H new ATOM 0 HA GLN A 28 14.398 -20.909 -10.149 1.00 33.25 H new ATOM 0 HB2 GLN A 28 13.912 -23.207 -10.926 1.00 33.45 H new ATOM 0 HB3 GLN A 28 13.114 -23.567 -9.408 1.00 33.45 H new ATOM 0 HG2 GLN A 28 11.506 -23.066 -11.217 1.00 30.21 H new ATOM 0 HG3 GLN A 28 11.357 -21.954 -9.870 1.00 30.21 H new ATOM 0 HE21 GLN A 28 12.210 -19.784 -10.065 1.00 41.23 H new ATOM 0 HE22 GLN A 28 12.408 -19.058 -11.664 1.00 41.23 H new ATOM 439 N ALA A 29 12.967 -21.883 -7.321 1.00 35.53 N ATOM 440 CA ALA A 29 12.195 -21.409 -6.179 1.00 34.21 C ATOM 441 C ALA A 29 12.884 -20.230 -5.502 1.00 4.15 C ATOM 442 O ALA A 29 12.227 -19.352 -4.944 1.00 31.14 O ATOM 443 CB ALA A 29 11.977 -22.539 -5.183 1.00 51.21 C ATOM 0 H ALA A 29 13.179 -22.881 -7.302 1.00 35.53 H new ATOM 0 HA ALA A 29 11.226 -21.069 -6.543 1.00 34.21 H new ATOM 0 HB1 ALA A 29 11.399 -22.171 -4.335 1.00 51.21 H new ATOM 0 HB2 ALA A 29 11.434 -23.351 -5.667 1.00 51.21 H new ATOM 0 HB3 ALA A 29 12.942 -22.906 -4.832 1.00 51.21 H new ATOM 449 N GLU A 30 14.213 -20.217 -5.554 1.00 33.40 N ATOM 450 CA GLU A 30 14.991 -19.146 -4.943 1.00 54.24 C ATOM 451 C GLU A 30 14.778 -17.829 -5.684 1.00 51.14 C ATOM 452 O GLU A 30 14.810 -16.755 -5.085 1.00 53.24 O ATOM 453 CB GLU A 30 16.478 -19.505 -4.936 1.00 72.23 C ATOM 454 CG GLU A 30 16.914 -20.268 -3.697 1.00 11.35 C ATOM 455 CD GLU A 30 18.233 -20.991 -3.890 1.00 12.41 C ATOM 456 OE1 GLU A 30 18.702 -21.072 -5.044 1.00 53.13 O ATOM 457 OE2 GLU A 30 18.796 -21.475 -2.886 1.00 10.22 O ATOM 0 H GLU A 30 14.772 -20.936 -6.013 1.00 33.40 H new ATOM 0 HA GLU A 30 14.650 -19.025 -3.915 1.00 54.24 H new ATOM 0 HB2 GLU A 30 16.703 -20.104 -5.819 1.00 72.23 H new ATOM 0 HB3 GLU A 30 17.065 -18.590 -5.014 1.00 72.23 H new ATOM 0 HG2 GLU A 30 17.003 -19.575 -2.861 1.00 11.35 H new ATOM 0 HG3 GLU A 30 16.143 -20.991 -3.431 1.00 11.35 H new ATOM 464 N GLY A 31 14.561 -17.921 -6.993 1.00 63.11 N ATOM 465 CA GLY A 31 14.347 -16.731 -7.795 1.00 43.23 C ATOM 466 C GLY A 31 12.998 -16.091 -7.536 1.00 33.45 C ATOM 467 O GLY A 31 12.866 -14.868 -7.564 1.00 10.43 O ATOM 0 H GLY A 31 14.530 -18.799 -7.512 1.00 63.11 H new ATOM 0 HA2 GLY A 31 15.135 -16.008 -7.584 1.00 43.23 H new ATOM 0 HA3 GLY A 31 14.426 -16.989 -8.851 1.00 43.23 H new ATOM 471 N LYS A 32 11.991 -16.921 -7.283 1.00 52.31 N ATOM 472 CA LYS A 32 10.643 -16.431 -7.018 1.00 5.44 C ATOM 473 C LYS A 32 10.475 -16.074 -5.544 1.00 52.01 C ATOM 474 O LYS A 32 9.658 -15.223 -5.190 1.00 24.10 O ATOM 475 CB LYS A 32 9.607 -17.482 -7.421 1.00 23.24 C ATOM 476 CG LYS A 32 8.184 -17.111 -7.040 1.00 25.42 C ATOM 477 CD LYS A 32 7.751 -17.805 -5.759 1.00 62.12 C ATOM 478 CE LYS A 32 6.258 -18.095 -5.760 1.00 11.51 C ATOM 479 NZ LYS A 32 5.804 -18.671 -4.464 1.00 62.42 N ATOM 0 H LYS A 32 12.083 -17.936 -7.256 1.00 52.31 H new ATOM 0 HA LYS A 32 10.487 -15.531 -7.612 1.00 5.44 H new ATOM 0 HB2 LYS A 32 9.657 -17.635 -8.499 1.00 23.24 H new ATOM 0 HB3 LYS A 32 9.864 -18.432 -6.952 1.00 23.24 H new ATOM 0 HG2 LYS A 32 8.110 -16.031 -6.913 1.00 25.42 H new ATOM 0 HG3 LYS A 32 7.507 -17.384 -7.849 1.00 25.42 H new ATOM 0 HD2 LYS A 32 8.304 -18.737 -5.644 1.00 62.12 H new ATOM 0 HD3 LYS A 32 8.001 -17.179 -4.902 1.00 62.12 H new ATOM 0 HE2 LYS A 32 5.709 -17.175 -5.960 1.00 11.51 H new ATOM 0 HE3 LYS A 32 6.023 -18.788 -6.568 1.00 11.51 H new ATOM 0 HZ1 LYS A 32 4.781 -18.855 -4.505 1.00 62.42 H new ATOM 0 HZ2 LYS A 32 6.309 -19.562 -4.284 1.00 62.42 H new ATOM 0 HZ3 LYS A 32 6.005 -17.999 -3.696 1.00 62.42 H new ATOM 493 N LYS A 33 11.253 -16.729 -4.689 1.00 14.21 N ATOM 494 CA LYS A 33 11.192 -16.480 -3.254 1.00 1.55 C ATOM 495 C LYS A 33 11.755 -15.102 -2.916 1.00 74.43 C ATOM 496 O LYS A 33 11.341 -14.473 -1.942 1.00 34.14 O ATOM 497 CB LYS A 33 11.967 -17.559 -2.494 1.00 44.35 C ATOM 498 CG LYS A 33 11.162 -18.822 -2.241 1.00 44.44 C ATOM 499 CD LYS A 33 12.023 -19.921 -1.641 1.00 41.33 C ATOM 500 CE LYS A 33 11.399 -21.292 -1.847 1.00 62.44 C ATOM 501 NZ LYS A 33 10.233 -21.512 -0.947 1.00 65.52 N ATOM 0 H LYS A 33 11.934 -17.437 -4.965 1.00 14.21 H new ATOM 0 HA LYS A 33 10.146 -16.511 -2.950 1.00 1.55 H new ATOM 0 HB2 LYS A 33 12.863 -17.816 -3.059 1.00 44.35 H new ATOM 0 HB3 LYS A 33 12.298 -17.152 -1.539 1.00 44.35 H new ATOM 0 HG2 LYS A 33 10.334 -18.598 -1.568 1.00 44.44 H new ATOM 0 HG3 LYS A 33 10.726 -19.170 -3.177 1.00 44.44 H new ATOM 0 HD2 LYS A 33 13.013 -19.899 -2.096 1.00 41.33 H new ATOM 0 HD3 LYS A 33 12.158 -19.738 -0.575 1.00 41.33 H new ATOM 0 HE2 LYS A 33 11.081 -21.394 -2.885 1.00 62.44 H new ATOM 0 HE3 LYS A 33 12.148 -22.063 -1.666 1.00 62.44 H new ATOM 0 HZ1 LYS A 33 9.836 -22.458 -1.118 1.00 65.52 H new ATOM 0 HZ2 LYS A 33 10.541 -21.440 0.044 1.00 65.52 H new ATOM 0 HZ3 LYS A 33 9.507 -20.792 -1.137 1.00 65.52 H new ATOM 515 N LEU A 34 12.698 -14.639 -3.728 1.00 44.00 N ATOM 516 CA LEU A 34 13.317 -13.335 -3.517 1.00 12.35 C ATOM 517 C LEU A 34 12.678 -12.278 -4.412 1.00 2.32 C ATOM 518 O LEU A 34 12.124 -11.292 -3.928 1.00 3.35 O ATOM 519 CB LEU A 34 14.820 -13.411 -3.790 1.00 51.41 C ATOM 520 CG LEU A 34 15.707 -13.718 -2.583 1.00 41.12 C ATOM 521 CD1 LEU A 34 15.544 -12.648 -1.515 1.00 2.12 C ATOM 522 CD2 LEU A 34 15.381 -15.093 -2.018 1.00 2.41 C ATOM 0 H LEU A 34 13.051 -15.147 -4.539 1.00 44.00 H new ATOM 0 HA LEU A 34 13.158 -13.049 -2.477 1.00 12.35 H new ATOM 0 HB2 LEU A 34 14.993 -14.176 -4.547 1.00 51.41 H new ATOM 0 HB3 LEU A 34 15.140 -12.461 -4.218 1.00 51.41 H new ATOM 0 HG LEU A 34 16.747 -13.719 -2.911 1.00 41.12 H new ATOM 0 HD11 LEU A 34 16.183 -12.883 -0.664 1.00 2.12 H new ATOM 0 HD12 LEU A 34 15.828 -11.679 -1.925 1.00 2.12 H new ATOM 0 HD13 LEU A 34 14.504 -12.614 -1.190 1.00 2.12 H new ATOM 0 HD21 LEU A 34 16.022 -15.295 -1.160 1.00 2.41 H new ATOM 0 HD22 LEU A 34 14.337 -15.120 -1.706 1.00 2.41 H new ATOM 0 HD23 LEU A 34 15.550 -15.850 -2.783 1.00 2.41 H new ATOM 534 N GLY A 35 12.758 -12.492 -5.722 1.00 20.03 N ATOM 535 CA GLY A 35 12.182 -11.551 -6.664 1.00 11.51 C ATOM 536 C GLY A 35 10.722 -11.838 -6.952 1.00 32.42 C ATOM 537 O GLY A 35 9.853 -11.575 -6.119 1.00 42.52 O ATOM 0 H GLY A 35 13.212 -13.301 -6.147 1.00 20.03 H new ATOM 0 HA2 GLY A 35 12.279 -10.540 -6.268 1.00 11.51 H new ATOM 0 HA3 GLY A 35 12.746 -11.584 -7.596 1.00 11.51 H new ATOM 541 N LEU A 36 10.449 -12.379 -8.134 1.00 22.40 N ATOM 542 CA LEU A 36 9.083 -12.702 -8.531 1.00 60.10 C ATOM 543 C LEU A 36 9.045 -13.981 -9.362 1.00 0.31 C ATOM 544 O LEU A 36 8.369 -14.946 -9.005 1.00 51.41 O ATOM 545 CB LEU A 36 8.475 -11.545 -9.326 1.00 64.33 C ATOM 546 CG LEU A 36 6.964 -11.357 -9.189 1.00 21.21 C ATOM 547 CD1 LEU A 36 6.224 -12.574 -9.722 1.00 61.12 C ATOM 548 CD2 LEU A 36 6.589 -11.096 -7.737 1.00 71.35 C ATOM 0 H LEU A 36 11.156 -12.603 -8.835 1.00 22.40 H new ATOM 0 HA LEU A 36 8.496 -12.861 -7.626 1.00 60.10 H new ATOM 0 HB2 LEU A 36 8.965 -10.622 -9.018 1.00 64.33 H new ATOM 0 HB3 LEU A 36 8.708 -11.693 -10.380 1.00 64.33 H new ATOM 0 HG LEU A 36 6.670 -10.491 -9.781 1.00 21.21 H new ATOM 0 HD11 LEU A 36 5.150 -12.422 -9.616 1.00 61.12 H new ATOM 0 HD12 LEU A 36 6.468 -12.716 -10.775 1.00 61.12 H new ATOM 0 HD13 LEU A 36 6.523 -13.457 -9.158 1.00 61.12 H new ATOM 0 HD21 LEU A 36 5.510 -10.965 -7.658 1.00 71.35 H new ATOM 0 HD22 LEU A 36 6.897 -11.943 -7.124 1.00 71.35 H new ATOM 0 HD23 LEU A 36 7.091 -10.194 -7.388 1.00 71.35 H new ATOM 560 N VAL A 37 9.777 -13.982 -10.471 1.00 44.52 N ATOM 561 CA VAL A 37 9.830 -15.143 -11.352 1.00 4.45 C ATOM 562 C VAL A 37 11.200 -15.272 -12.008 1.00 61.41 C ATOM 563 O VAL A 37 12.103 -14.478 -11.748 1.00 55.44 O ATOM 564 CB VAL A 37 8.753 -15.064 -12.449 1.00 75.40 C ATOM 565 CG1 VAL A 37 7.370 -15.288 -11.856 1.00 54.33 C ATOM 566 CG2 VAL A 37 8.823 -13.727 -13.170 1.00 51.21 C ATOM 0 H VAL A 37 10.342 -13.191 -10.781 1.00 44.52 H new ATOM 0 HA VAL A 37 9.643 -16.020 -10.732 1.00 4.45 H new ATOM 0 HB VAL A 37 8.942 -15.853 -13.177 1.00 75.40 H new ATOM 0 HG11 VAL A 37 6.621 -15.229 -12.646 1.00 54.33 H new ATOM 0 HG12 VAL A 37 7.329 -16.273 -11.390 1.00 54.33 H new ATOM 0 HG13 VAL A 37 7.167 -14.523 -11.106 1.00 54.33 H new ATOM 0 HG21 VAL A 37 8.054 -13.689 -13.942 1.00 51.21 H new ATOM 0 HG22 VAL A 37 8.660 -12.920 -12.456 1.00 51.21 H new ATOM 0 HG23 VAL A 37 9.805 -13.612 -13.630 1.00 51.21 H new ATOM 576 N GLY A 38 11.348 -16.281 -12.862 1.00 21.12 N ATOM 577 CA GLY A 38 12.611 -16.497 -13.543 1.00 40.13 C ATOM 578 C GLY A 38 12.744 -17.906 -14.085 1.00 22.41 C ATOM 579 O GLY A 38 11.816 -18.708 -13.981 1.00 60.32 O ATOM 0 H GLY A 38 10.616 -16.952 -13.094 1.00 21.12 H new ATOM 0 HA2 GLY A 38 12.704 -15.785 -14.363 1.00 40.13 H new ATOM 0 HA3 GLY A 38 13.431 -16.298 -12.853 1.00 40.13 H new ATOM 583 N TRP A 39 13.900 -18.208 -14.665 1.00 72.42 N ATOM 584 CA TRP A 39 14.150 -19.531 -15.227 1.00 40.00 C ATOM 585 C TRP A 39 15.617 -19.919 -15.075 1.00 13.44 C ATOM 586 O TRP A 39 16.487 -19.057 -14.953 1.00 43.42 O ATOM 587 CB TRP A 39 13.752 -19.564 -16.703 1.00 73.24 C ATOM 588 CG TRP A 39 14.636 -18.726 -17.576 1.00 62.43 C ATOM 589 CD1 TRP A 39 15.868 -19.065 -18.060 1.00 53.42 C ATOM 590 CD2 TRP A 39 14.358 -17.410 -18.067 1.00 33.51 C ATOM 591 NE1 TRP A 39 16.372 -18.038 -18.822 1.00 74.11 N ATOM 592 CE2 TRP A 39 15.464 -17.012 -18.843 1.00 21.34 C ATOM 593 CE3 TRP A 39 13.281 -16.531 -17.928 1.00 52.23 C ATOM 594 CZ2 TRP A 39 15.522 -15.773 -19.474 1.00 44.14 C ATOM 595 CZ3 TRP A 39 13.340 -15.301 -18.556 1.00 24.02 C ATOM 596 CH2 TRP A 39 14.454 -14.931 -19.322 1.00 21.54 C ATOM 0 H TRP A 39 14.679 -17.556 -14.759 1.00 72.42 H new ATOM 0 HA TRP A 39 13.544 -20.252 -14.678 1.00 40.00 H new ATOM 0 HB2 TRP A 39 13.777 -20.595 -17.056 1.00 73.24 H new ATOM 0 HB3 TRP A 39 12.723 -19.219 -16.802 1.00 73.24 H new ATOM 0 HD1 TRP A 39 16.372 -20.002 -17.872 1.00 53.42 H new ATOM 0 HE1 TRP A 39 17.276 -18.039 -19.295 1.00 74.11 H new ATOM 0 HE3 TRP A 39 12.418 -16.808 -17.341 1.00 52.23 H new ATOM 0 HZ2 TRP A 39 16.380 -15.486 -20.063 1.00 44.14 H new ATOM 0 HZ3 TRP A 39 12.513 -14.613 -18.455 1.00 24.02 H new ATOM 0 HH2 TRP A 39 14.470 -13.963 -19.801 1.00 21.54 H new ATOM 607 N VAL A 40 15.884 -21.221 -15.082 1.00 43.40 N ATOM 608 CA VAL A 40 17.247 -21.722 -14.946 1.00 14.11 C ATOM 609 C VAL A 40 17.677 -22.489 -16.191 1.00 71.11 C ATOM 610 O VAL A 40 16.866 -23.159 -16.830 1.00 53.51 O ATOM 611 CB VAL A 40 17.387 -22.640 -13.717 1.00 12.31 C ATOM 612 CG1 VAL A 40 18.846 -22.997 -13.481 1.00 24.20 C ATOM 613 CG2 VAL A 40 16.786 -21.977 -12.486 1.00 60.14 C ATOM 0 H VAL A 40 15.175 -21.948 -15.180 1.00 43.40 H new ATOM 0 HA VAL A 40 17.893 -20.853 -14.817 1.00 14.11 H new ATOM 0 HB VAL A 40 16.839 -23.562 -13.909 1.00 12.31 H new ATOM 0 HG11 VAL A 40 18.925 -23.646 -12.609 1.00 24.20 H new ATOM 0 HG12 VAL A 40 19.240 -23.515 -14.356 1.00 24.20 H new ATOM 0 HG13 VAL A 40 19.420 -22.087 -13.309 1.00 24.20 H new ATOM 0 HG21 VAL A 40 16.894 -22.639 -11.627 1.00 60.14 H new ATOM 0 HG22 VAL A 40 17.305 -21.039 -12.288 1.00 60.14 H new ATOM 0 HG23 VAL A 40 15.729 -21.777 -12.660 1.00 60.14 H new ATOM 623 N GLN A 41 18.958 -22.387 -16.529 1.00 42.22 N ATOM 624 CA GLN A 41 19.496 -23.071 -17.699 1.00 21.42 C ATOM 625 C GLN A 41 20.869 -23.664 -17.399 1.00 71.40 C ATOM 626 O GLN A 41 21.497 -23.324 -16.398 1.00 22.24 O ATOM 627 CB GLN A 41 19.592 -22.106 -18.882 1.00 34.42 C ATOM 628 CG GLN A 41 18.335 -22.065 -19.736 1.00 61.45 C ATOM 629 CD GLN A 41 18.335 -20.911 -20.719 1.00 61.01 C ATOM 630 OE1 GLN A 41 17.151 -20.523 -21.177 1.00 62.30 O flip ATOM 631 NE2 GLN A 41 19.388 -20.373 -21.063 1.00 74.34 N flip ATOM 0 H GLN A 41 19.643 -21.838 -16.010 1.00 42.22 H new ATOM 0 HA GLN A 41 18.817 -23.884 -17.957 1.00 21.42 H new ATOM 0 HB2 GLN A 41 19.799 -21.104 -18.507 1.00 34.42 H new ATOM 0 HB3 GLN A 41 20.437 -22.394 -19.507 1.00 34.42 H new ATOM 0 HG2 GLN A 41 18.241 -23.003 -20.283 1.00 61.45 H new ATOM 0 HG3 GLN A 41 17.462 -21.985 -19.088 1.00 61.45 H new ATOM 0 HE21 GLN A 41 20.276 -20.703 -20.686 1.00 74.34 H new ATOM 0 HE22 GLN A 41 19.372 -19.597 -21.725 1.00 74.34 H new ATOM 640 N ASN A 42 21.328 -24.553 -18.274 1.00 30.30 N ATOM 641 CA ASN A 42 22.626 -25.195 -18.102 1.00 45.31 C ATOM 642 C ASN A 42 23.585 -24.791 -19.219 1.00 35.32 C ATOM 643 O ASN A 42 23.161 -24.340 -20.284 1.00 32.53 O ATOM 644 CB ASN A 42 22.468 -26.716 -18.076 1.00 34.20 C ATOM 645 CG ASN A 42 22.203 -27.294 -19.453 1.00 44.42 C ATOM 646 OD1 ASN A 42 21.053 -27.474 -19.852 1.00 70.34 O ATOM 647 ND2 ASN A 42 23.271 -27.586 -20.186 1.00 61.45 N ATOM 0 H ASN A 42 20.820 -24.845 -19.109 1.00 30.30 H new ATOM 0 HA ASN A 42 23.043 -24.864 -17.151 1.00 45.31 H new ATOM 0 HB2 ASN A 42 23.372 -27.165 -17.664 1.00 34.20 H new ATOM 0 HB3 ASN A 42 21.648 -26.982 -17.409 1.00 34.20 H new ATOM 0 HD21 ASN A 42 23.156 -27.977 -21.121 1.00 61.45 H new ATOM 0 HD22 ASN A 42 24.206 -27.420 -19.814 1.00 61.45 H new ATOM 654 N THR A 43 24.880 -24.957 -18.969 1.00 13.13 N ATOM 655 CA THR A 43 25.898 -24.610 -19.951 1.00 44.05 C ATOM 656 C THR A 43 26.799 -25.802 -20.254 1.00 70.11 C ATOM 657 O THR A 43 26.833 -26.774 -19.499 1.00 1.10 O ATOM 658 CB THR A 43 26.768 -23.434 -19.468 1.00 52.23 C ATOM 659 OG1 THR A 43 27.429 -23.783 -18.247 1.00 44.13 O ATOM 660 CG2 THR A 43 25.922 -22.188 -19.254 1.00 51.33 C ATOM 0 H THR A 43 25.248 -25.330 -18.094 1.00 13.13 H new ATOM 0 HA THR A 43 25.372 -24.315 -20.859 1.00 44.05 H new ATOM 0 HB THR A 43 27.512 -23.222 -20.236 1.00 52.23 H new ATOM 0 HG1 THR A 43 26.762 -23.928 -17.544 1.00 44.13 H new ATOM 0 HG21 THR A 43 26.558 -21.371 -18.913 1.00 51.33 H new ATOM 0 HG22 THR A 43 25.443 -21.908 -20.192 1.00 51.33 H new ATOM 0 HG23 THR A 43 25.158 -22.391 -18.503 1.00 51.33 H new ATOM 668 N ASP A 44 27.527 -25.721 -21.362 1.00 63.01 N ATOM 669 CA ASP A 44 28.430 -26.793 -21.764 1.00 24.44 C ATOM 670 C ASP A 44 29.782 -26.653 -21.071 1.00 64.00 C ATOM 671 O ASP A 44 30.493 -27.638 -20.869 1.00 73.13 O ATOM 672 CB ASP A 44 28.618 -26.789 -23.281 1.00 61.45 C ATOM 673 CG ASP A 44 29.071 -28.135 -23.812 1.00 72.43 C ATOM 674 OD1 ASP A 44 30.276 -28.443 -23.699 1.00 14.25 O ATOM 675 OD2 ASP A 44 28.220 -28.881 -24.342 1.00 64.14 O ATOM 0 H ASP A 44 27.509 -24.924 -21.998 1.00 63.01 H new ATOM 0 HA ASP A 44 27.984 -27.741 -21.464 1.00 24.44 H new ATOM 0 HB2 ASP A 44 27.679 -26.510 -23.760 1.00 61.45 H new ATOM 0 HB3 ASP A 44 29.352 -26.029 -23.551 1.00 61.45 H new ATOM 680 N ARG A 45 30.132 -25.423 -20.710 1.00 51.44 N ATOM 681 CA ARG A 45 31.400 -25.153 -20.043 1.00 34.23 C ATOM 682 C ARG A 45 31.473 -25.878 -18.702 1.00 13.11 C ATOM 683 O ARG A 45 32.274 -26.794 -18.523 1.00 3.24 O ATOM 684 CB ARG A 45 31.580 -23.649 -19.832 1.00 12.31 C ATOM 685 CG ARG A 45 32.235 -22.943 -21.008 1.00 25.24 C ATOM 686 CD ARG A 45 31.404 -23.080 -22.273 1.00 51.35 C ATOM 687 NE ARG A 45 32.030 -22.417 -23.414 1.00 44.11 N ATOM 688 CZ ARG A 45 31.958 -21.109 -23.635 1.00 33.00 C ATOM 689 NH1 ARG A 45 31.290 -20.328 -22.797 1.00 74.14 N ATOM 690 NH2 ARG A 45 32.555 -20.580 -24.695 1.00 55.24 N ATOM 0 H ARG A 45 29.555 -24.597 -20.868 1.00 51.44 H new ATOM 0 HA ARG A 45 32.203 -25.522 -20.681 1.00 34.23 H new ATOM 0 HB2 ARG A 45 30.606 -23.198 -19.645 1.00 12.31 H new ATOM 0 HB3 ARG A 45 32.183 -23.486 -18.939 1.00 12.31 H new ATOM 0 HG2 ARG A 45 32.368 -21.887 -20.772 1.00 25.24 H new ATOM 0 HG3 ARG A 45 33.228 -23.360 -21.177 1.00 25.24 H new ATOM 0 HD2 ARG A 45 31.262 -24.136 -22.501 1.00 51.35 H new ATOM 0 HD3 ARG A 45 30.415 -22.655 -22.105 1.00 51.35 H new ATOM 0 HE ARG A 45 32.551 -22.990 -24.078 1.00 44.11 H new ATOM 0 HH11 ARG A 45 30.830 -20.731 -21.981 1.00 74.14 H new ATOM 0 HH12 ARG A 45 31.236 -19.324 -22.969 1.00 74.14 H new ATOM 0 HH21 ARG A 45 33.070 -21.178 -25.341 1.00 55.24 H new ATOM 0 HH22 ARG A 45 32.499 -19.576 -24.864 1.00 55.24 H new ATOM 704 N GLY A 46 30.630 -25.460 -17.762 1.00 72.12 N ATOM 705 CA GLY A 46 30.616 -26.079 -16.450 1.00 34.51 C ATOM 706 C GLY A 46 30.014 -25.178 -15.390 1.00 23.11 C ATOM 707 O GLY A 46 30.520 -25.101 -14.269 1.00 55.14 O ATOM 0 H GLY A 46 29.957 -24.704 -17.886 1.00 72.12 H new ATOM 0 HA2 GLY A 46 30.049 -27.009 -16.496 1.00 34.51 H new ATOM 0 HA3 GLY A 46 31.635 -26.341 -16.164 1.00 34.51 H new ATOM 711 N THR A 47 28.932 -24.492 -15.743 1.00 52.22 N ATOM 712 CA THR A 47 28.263 -23.589 -14.815 1.00 74.03 C ATOM 713 C THR A 47 26.747 -23.707 -14.930 1.00 41.32 C ATOM 714 O THR A 47 26.233 -24.386 -15.819 1.00 33.13 O ATOM 715 CB THR A 47 28.673 -22.125 -15.062 1.00 14.22 C ATOM 716 OG1 THR A 47 28.822 -21.888 -16.466 1.00 52.31 O ATOM 717 CG2 THR A 47 29.975 -21.800 -14.346 1.00 40.22 C ATOM 0 H THR A 47 28.500 -24.545 -16.665 1.00 52.22 H new ATOM 0 HA THR A 47 28.572 -23.881 -13.811 1.00 74.03 H new ATOM 0 HB THR A 47 27.889 -21.479 -14.667 1.00 14.22 H new ATOM 0 HG1 THR A 47 28.227 -22.487 -16.964 1.00 52.31 H new ATOM 0 HG21 THR A 47 30.245 -20.761 -14.535 1.00 40.22 H new ATOM 0 HG22 THR A 47 29.849 -21.953 -13.274 1.00 40.22 H new ATOM 0 HG23 THR A 47 30.766 -22.453 -14.715 1.00 40.22 H new ATOM 725 N VAL A 48 26.036 -23.040 -14.026 1.00 61.03 N ATOM 726 CA VAL A 48 24.578 -23.069 -14.028 1.00 4.44 C ATOM 727 C VAL A 48 24.002 -21.692 -14.338 1.00 1.31 C ATOM 728 O VAL A 48 23.754 -20.894 -13.434 1.00 32.51 O ATOM 729 CB VAL A 48 24.025 -23.551 -12.674 1.00 22.34 C ATOM 730 CG1 VAL A 48 22.507 -23.638 -12.717 1.00 63.42 C ATOM 731 CG2 VAL A 48 24.634 -24.894 -12.298 1.00 10.20 C ATOM 0 H VAL A 48 26.446 -22.473 -13.283 1.00 61.03 H new ATOM 0 HA VAL A 48 24.276 -23.770 -14.806 1.00 4.44 H new ATOM 0 HB VAL A 48 24.301 -22.825 -11.909 1.00 22.34 H new ATOM 0 HG11 VAL A 48 22.135 -23.980 -11.751 1.00 63.42 H new ATOM 0 HG12 VAL A 48 22.092 -22.654 -12.938 1.00 63.42 H new ATOM 0 HG13 VAL A 48 22.205 -24.342 -13.493 1.00 63.42 H new ATOM 0 HG21 VAL A 48 24.232 -25.220 -11.339 1.00 10.20 H new ATOM 0 HG22 VAL A 48 24.390 -25.631 -13.063 1.00 10.20 H new ATOM 0 HG23 VAL A 48 25.717 -24.794 -12.223 1.00 10.20 H new ATOM 741 N GLN A 49 23.791 -21.420 -15.622 1.00 25.02 N ATOM 742 CA GLN A 49 23.244 -20.139 -16.051 1.00 42.52 C ATOM 743 C GLN A 49 21.808 -19.970 -15.567 1.00 32.32 C ATOM 744 O GLN A 49 21.120 -20.949 -15.280 1.00 23.23 O ATOM 745 CB GLN A 49 23.298 -20.022 -17.575 1.00 71.14 C ATOM 746 CG GLN A 49 23.499 -18.599 -18.070 1.00 52.21 C ATOM 747 CD GLN A 49 23.162 -18.439 -19.540 1.00 0.45 C ATOM 748 OE1 GLN A 49 23.886 -18.921 -20.410 1.00 63.35 O ATOM 749 NE2 GLN A 49 22.058 -17.758 -19.823 1.00 74.13 N ATOM 0 H GLN A 49 23.991 -22.070 -16.383 1.00 25.02 H new ATOM 0 HA GLN A 49 23.851 -19.348 -15.611 1.00 42.52 H new ATOM 0 HB2 GLN A 49 24.109 -20.646 -17.950 1.00 71.14 H new ATOM 0 HB3 GLN A 49 22.372 -20.416 -17.994 1.00 71.14 H new ATOM 0 HG2 GLN A 49 22.877 -17.923 -17.483 1.00 52.21 H new ATOM 0 HG3 GLN A 49 24.535 -18.304 -17.904 1.00 52.21 H new ATOM 0 HE21 GLN A 49 21.487 -17.376 -19.069 1.00 74.13 H new ATOM 0 HE22 GLN A 49 21.781 -17.617 -20.794 1.00 74.13 H new ATOM 758 N GLY A 50 21.361 -18.721 -15.478 1.00 73.20 N ATOM 759 CA GLY A 50 20.009 -18.448 -15.027 1.00 54.45 C ATOM 760 C GLY A 50 19.559 -17.039 -15.364 1.00 23.45 C ATOM 761 O GLY A 50 20.251 -16.316 -16.079 1.00 55.54 O ATOM 0 H GLY A 50 21.911 -17.894 -15.710 1.00 73.20 H new ATOM 0 HA2 GLY A 50 19.325 -19.164 -15.484 1.00 54.45 H new ATOM 0 HA3 GLY A 50 19.952 -18.596 -13.949 1.00 54.45 H new ATOM 765 N GLN A 51 18.398 -16.651 -14.847 1.00 33.50 N ATOM 766 CA GLN A 51 17.856 -15.321 -15.099 1.00 25.20 C ATOM 767 C GLN A 51 16.981 -14.861 -13.938 1.00 53.03 C ATOM 768 O GLN A 51 16.418 -15.679 -13.209 1.00 54.23 O ATOM 769 CB GLN A 51 17.048 -15.314 -16.397 1.00 70.05 C ATOM 770 CG GLN A 51 17.058 -13.973 -17.113 1.00 42.11 C ATOM 771 CD GLN A 51 18.202 -13.847 -18.101 1.00 14.05 C ATOM 772 OE1 GLN A 51 18.758 -14.847 -18.554 1.00 63.22 O ATOM 773 NE2 GLN A 51 18.558 -12.614 -18.439 1.00 43.43 N ATOM 0 H GLN A 51 17.815 -17.238 -14.251 1.00 33.50 H new ATOM 0 HA GLN A 51 18.692 -14.628 -15.197 1.00 25.20 H new ATOM 0 HB2 GLN A 51 17.445 -16.077 -17.067 1.00 70.05 H new ATOM 0 HB3 GLN A 51 16.017 -15.590 -16.175 1.00 70.05 H new ATOM 0 HG2 GLN A 51 16.113 -13.839 -17.639 1.00 42.11 H new ATOM 0 HG3 GLN A 51 17.129 -13.173 -16.376 1.00 42.11 H new ATOM 0 HE21 GLN A 51 18.069 -11.814 -18.038 1.00 43.43 H new ATOM 0 HE22 GLN A 51 19.321 -12.466 -19.100 1.00 43.43 H new ATOM 782 N LEU A 52 16.870 -13.548 -13.772 1.00 2.33 N ATOM 783 CA LEU A 52 16.063 -12.978 -12.699 1.00 13.14 C ATOM 784 C LEU A 52 15.419 -11.667 -13.139 1.00 32.10 C ATOM 785 O LEU A 52 16.024 -10.882 -13.867 1.00 45.34 O ATOM 786 CB LEU A 52 16.923 -12.744 -11.455 1.00 72.34 C ATOM 787 CG LEU A 52 16.242 -12.018 -10.295 1.00 32.01 C ATOM 788 CD1 LEU A 52 15.293 -12.954 -9.562 1.00 63.22 C ATOM 789 CD2 LEU A 52 17.280 -11.451 -9.338 1.00 21.35 C ATOM 0 H LEU A 52 17.329 -12.858 -14.367 1.00 2.33 H new ATOM 0 HA LEU A 52 15.272 -13.688 -12.458 1.00 13.14 H new ATOM 0 HB2 LEU A 52 17.276 -13.710 -11.095 1.00 72.34 H new ATOM 0 HB3 LEU A 52 17.803 -12.172 -11.749 1.00 72.34 H new ATOM 0 HG LEU A 52 15.661 -11.190 -10.701 1.00 32.01 H new ATOM 0 HD11 LEU A 52 14.818 -12.419 -8.740 1.00 63.22 H new ATOM 0 HD12 LEU A 52 14.529 -13.311 -10.252 1.00 63.22 H new ATOM 0 HD13 LEU A 52 15.852 -13.803 -9.168 1.00 63.22 H new ATOM 0 HD21 LEU A 52 16.777 -10.938 -8.518 1.00 21.35 H new ATOM 0 HD22 LEU A 52 17.889 -12.262 -8.939 1.00 21.35 H new ATOM 0 HD23 LEU A 52 17.919 -10.746 -9.870 1.00 21.35 H new ATOM 801 N GLN A 53 14.189 -11.438 -12.690 1.00 50.21 N ATOM 802 CA GLN A 53 13.464 -10.221 -13.037 1.00 61.21 C ATOM 803 C GLN A 53 12.660 -9.709 -11.847 1.00 55.31 C ATOM 804 O GLN A 53 11.953 -10.471 -11.188 1.00 50.54 O ATOM 805 CB GLN A 53 12.534 -10.477 -14.224 1.00 62.43 C ATOM 806 CG GLN A 53 13.187 -11.264 -15.349 1.00 73.24 C ATOM 807 CD GLN A 53 13.067 -12.763 -15.159 1.00 74.41 C ATOM 808 OE1 GLN A 53 14.057 -13.450 -14.904 1.00 15.45 O ATOM 809 NE2 GLN A 53 11.850 -13.281 -15.283 1.00 12.52 N ATOM 0 H GLN A 53 13.674 -12.078 -12.086 1.00 50.21 H new ATOM 0 HA GLN A 53 14.193 -9.460 -13.314 1.00 61.21 H new ATOM 0 HB2 GLN A 53 11.654 -11.018 -13.876 1.00 62.43 H new ATOM 0 HB3 GLN A 53 12.186 -9.521 -14.615 1.00 62.43 H new ATOM 0 HG2 GLN A 53 12.728 -10.984 -16.297 1.00 73.24 H new ATOM 0 HG3 GLN A 53 14.241 -10.993 -15.413 1.00 73.24 H new ATOM 0 HE21 GLN A 53 11.057 -12.675 -15.495 1.00 12.52 H new ATOM 0 HE22 GLN A 53 11.708 -14.284 -15.166 1.00 12.52 H new ATOM 818 N GLY A 54 12.772 -8.412 -11.577 1.00 3.31 N ATOM 819 CA GLY A 54 12.050 -7.820 -10.466 1.00 3.21 C ATOM 820 C GLY A 54 12.607 -6.467 -10.067 1.00 71.52 C ATOM 821 O GLY A 54 13.522 -5.938 -10.698 1.00 62.53 O ATOM 0 H GLY A 54 13.350 -7.761 -12.108 1.00 3.31 H new ATOM 0 HA2 GLY A 54 11.000 -7.712 -10.736 1.00 3.21 H new ATOM 0 HA3 GLY A 54 12.091 -8.493 -9.610 1.00 3.21 H new ATOM 825 N PRO A 55 12.047 -5.885 -8.996 1.00 61.14 N ATOM 826 CA PRO A 55 12.477 -4.578 -8.491 1.00 52.22 C ATOM 827 C PRO A 55 13.864 -4.627 -7.861 1.00 24.40 C ATOM 828 O PRO A 55 14.257 -5.640 -7.280 1.00 55.12 O ATOM 829 CB PRO A 55 11.421 -4.241 -7.435 1.00 24.53 C ATOM 830 CG PRO A 55 10.897 -5.563 -6.989 1.00 54.34 C ATOM 831 CD PRO A 55 10.952 -6.458 -8.196 1.00 71.22 C ATOM 0 HA PRO A 55 12.554 -3.838 -9.288 1.00 52.22 H new ATOM 0 HB2 PRO A 55 11.855 -3.686 -6.603 1.00 24.53 H new ATOM 0 HB3 PRO A 55 10.628 -3.621 -7.852 1.00 24.53 H new ATOM 0 HG2 PRO A 55 11.499 -5.967 -6.175 1.00 54.34 H new ATOM 0 HG3 PRO A 55 9.877 -5.473 -6.616 1.00 54.34 H new ATOM 0 HD2 PRO A 55 11.155 -7.493 -7.920 1.00 71.22 H new ATOM 0 HD3 PRO A 55 10.009 -6.453 -8.743 1.00 71.22 H new ATOM 839 N ILE A 56 14.602 -3.529 -7.979 1.00 44.21 N ATOM 840 CA ILE A 56 15.946 -3.448 -7.419 1.00 53.32 C ATOM 841 C ILE A 56 15.946 -3.804 -5.936 1.00 54.44 C ATOM 842 O ILE A 56 16.911 -4.370 -5.423 1.00 54.03 O ATOM 843 CB ILE A 56 16.546 -2.041 -7.598 1.00 1.32 C ATOM 844 CG1 ILE A 56 18.000 -2.019 -7.122 1.00 0.32 C ATOM 845 CG2 ILE A 56 15.719 -1.012 -6.841 1.00 25.13 C ATOM 846 CD1 ILE A 56 18.729 -0.738 -7.465 1.00 32.32 C ATOM 0 H ILE A 56 14.293 -2.683 -8.457 1.00 44.21 H new ATOM 0 HA ILE A 56 16.559 -4.167 -7.963 1.00 53.32 H new ATOM 0 HB ILE A 56 16.526 -1.785 -8.657 1.00 1.32 H new ATOM 0 HG12 ILE A 56 18.022 -2.162 -6.042 1.00 0.32 H new ATOM 0 HG13 ILE A 56 18.532 -2.860 -7.566 1.00 0.32 H new ATOM 0 HG21 ILE A 56 16.156 -0.023 -6.977 1.00 25.13 H new ATOM 0 HG22 ILE A 56 14.698 -1.014 -7.223 1.00 25.13 H new ATOM 0 HG23 ILE A 56 15.710 -1.262 -5.780 1.00 25.13 H new ATOM 0 HD11 ILE A 56 19.754 -0.793 -7.097 1.00 32.32 H new ATOM 0 HD12 ILE A 56 18.738 -0.603 -8.547 1.00 32.32 H new ATOM 0 HD13 ILE A 56 18.221 0.106 -6.998 1.00 32.32 H new ATOM 858 N SER A 57 14.856 -3.469 -5.253 1.00 73.01 N ATOM 859 CA SER A 57 14.730 -3.751 -3.828 1.00 61.51 C ATOM 860 C SER A 57 14.795 -5.253 -3.564 1.00 52.30 C ATOM 861 O SER A 57 15.183 -5.689 -2.480 1.00 44.41 O ATOM 862 CB SER A 57 13.416 -3.183 -3.288 1.00 23.32 C ATOM 863 OG SER A 57 12.301 -3.839 -3.867 1.00 1.43 O ATOM 0 H SER A 57 14.047 -3.002 -5.664 1.00 73.01 H new ATOM 0 HA SER A 57 15.563 -3.272 -3.313 1.00 61.51 H new ATOM 0 HB2 SER A 57 13.386 -3.295 -2.204 1.00 23.32 H new ATOM 0 HB3 SER A 57 13.364 -2.115 -3.499 1.00 23.32 H new ATOM 0 HG SER A 57 11.473 -3.459 -3.504 1.00 1.43 H new ATOM 869 N LYS A 58 14.411 -6.040 -4.563 1.00 50.23 N ATOM 870 CA LYS A 58 14.426 -7.493 -4.442 1.00 55.24 C ATOM 871 C LYS A 58 15.642 -8.085 -5.146 1.00 62.22 C ATOM 872 O LYS A 58 16.213 -9.077 -4.692 1.00 74.23 O ATOM 873 CB LYS A 58 13.144 -8.087 -5.030 1.00 54.14 C ATOM 874 CG LYS A 58 12.009 -8.198 -4.027 1.00 33.00 C ATOM 875 CD LYS A 58 11.663 -6.847 -3.425 1.00 13.43 C ATOM 876 CE LYS A 58 10.222 -6.806 -2.938 1.00 41.31 C ATOM 877 NZ LYS A 58 9.798 -5.425 -2.575 1.00 42.04 N ATOM 0 H LYS A 58 14.085 -5.696 -5.466 1.00 50.23 H new ATOM 0 HA LYS A 58 14.484 -7.744 -3.383 1.00 55.24 H new ATOM 0 HB2 LYS A 58 12.818 -7.470 -5.867 1.00 54.14 H new ATOM 0 HB3 LYS A 58 13.362 -9.077 -5.430 1.00 54.14 H new ATOM 0 HG2 LYS A 58 11.129 -8.615 -4.517 1.00 33.00 H new ATOM 0 HG3 LYS A 58 12.290 -8.890 -3.233 1.00 33.00 H new ATOM 0 HD2 LYS A 58 12.335 -6.635 -2.594 1.00 13.43 H new ATOM 0 HD3 LYS A 58 11.819 -6.065 -4.169 1.00 13.43 H new ATOM 0 HE2 LYS A 58 9.565 -7.195 -3.716 1.00 41.31 H new ATOM 0 HE3 LYS A 58 10.113 -7.459 -2.072 1.00 41.31 H new ATOM 0 HZ1 LYS A 58 8.811 -5.440 -2.248 1.00 42.04 H new ATOM 0 HZ2 LYS A 58 10.409 -5.063 -1.815 1.00 42.04 H new ATOM 0 HZ3 LYS A 58 9.878 -4.807 -3.408 1.00 42.04 H new ATOM 891 N VAL A 59 16.036 -7.470 -6.257 1.00 12.32 N ATOM 892 CA VAL A 59 17.187 -7.935 -7.022 1.00 13.33 C ATOM 893 C VAL A 59 18.459 -7.891 -6.182 1.00 55.13 C ATOM 894 O VAL A 59 19.345 -8.732 -6.336 1.00 12.54 O ATOM 895 CB VAL A 59 17.394 -7.090 -8.293 1.00 3.12 C ATOM 896 CG1 VAL A 59 18.614 -7.573 -9.062 1.00 5.12 C ATOM 897 CG2 VAL A 59 16.151 -7.131 -9.168 1.00 61.35 C ATOM 0 H VAL A 59 15.575 -6.648 -6.647 1.00 12.32 H new ATOM 0 HA VAL A 59 16.981 -8.966 -7.310 1.00 13.33 H new ATOM 0 HB VAL A 59 17.567 -6.055 -7.997 1.00 3.12 H new ATOM 0 HG11 VAL A 59 18.745 -6.964 -9.957 1.00 5.12 H new ATOM 0 HG12 VAL A 59 19.499 -7.486 -8.432 1.00 5.12 H new ATOM 0 HG13 VAL A 59 18.474 -8.615 -9.349 1.00 5.12 H new ATOM 0 HG21 VAL A 59 16.315 -6.529 -10.062 1.00 61.35 H new ATOM 0 HG22 VAL A 59 15.944 -8.161 -9.458 1.00 61.35 H new ATOM 0 HG23 VAL A 59 15.302 -6.733 -8.613 1.00 61.35 H new ATOM 907 N ARG A 60 18.541 -6.906 -5.294 1.00 42.43 N ATOM 908 CA ARG A 60 19.705 -6.752 -4.430 1.00 43.42 C ATOM 909 C ARG A 60 19.772 -7.877 -3.402 1.00 14.35 C ATOM 910 O ARG A 60 20.852 -8.255 -2.948 1.00 43.13 O ATOM 911 CB ARG A 60 19.664 -5.398 -3.719 1.00 54.21 C ATOM 912 CG ARG A 60 21.011 -4.956 -3.172 1.00 12.34 C ATOM 913 CD ARG A 60 21.949 -4.520 -4.286 1.00 3.10 C ATOM 914 NE ARG A 60 23.092 -3.767 -3.776 1.00 62.21 N ATOM 915 CZ ARG A 60 24.005 -3.199 -4.556 1.00 63.41 C ATOM 916 NH1 ARG A 60 23.909 -3.298 -5.875 1.00 24.12 N ATOM 917 NH2 ARG A 60 25.017 -2.531 -4.017 1.00 52.42 N ATOM 0 H ARG A 60 17.816 -6.203 -5.154 1.00 42.43 H new ATOM 0 HA ARG A 60 20.598 -6.800 -5.054 1.00 43.42 H new ATOM 0 HB2 ARG A 60 19.299 -4.643 -4.415 1.00 54.21 H new ATOM 0 HB3 ARG A 60 18.948 -5.449 -2.899 1.00 54.21 H new ATOM 0 HG2 ARG A 60 20.868 -4.133 -2.472 1.00 12.34 H new ATOM 0 HG3 ARG A 60 21.464 -5.775 -2.613 1.00 12.34 H new ATOM 0 HD2 ARG A 60 22.305 -5.398 -4.825 1.00 3.10 H new ATOM 0 HD3 ARG A 60 21.401 -3.907 -5.002 1.00 3.10 H new ATOM 0 HE ARG A 60 23.195 -3.672 -2.766 1.00 62.21 H new ATOM 0 HH11 ARG A 60 23.133 -3.811 -6.293 1.00 24.12 H new ATOM 0 HH12 ARG A 60 24.611 -2.861 -6.472 1.00 24.12 H new ATOM 0 HH21 ARG A 60 25.094 -2.453 -3.003 1.00 52.42 H new ATOM 0 HH22 ARG A 60 25.718 -2.095 -4.617 1.00 52.42 H new ATOM 931 N HIS A 61 18.609 -8.407 -3.037 1.00 33.33 N ATOM 932 CA HIS A 61 18.534 -9.489 -2.061 1.00 65.34 C ATOM 933 C HIS A 61 18.828 -10.834 -2.719 1.00 24.42 C ATOM 934 O HIS A 61 19.294 -11.767 -2.065 1.00 2.13 O ATOM 935 CB HIS A 61 17.153 -9.520 -1.406 1.00 44.30 C ATOM 936 CG HIS A 61 17.000 -8.537 -0.287 1.00 11.44 C ATOM 937 ND1 HIS A 61 16.586 -7.235 -0.479 1.00 71.52 N ATOM 938 CD2 HIS A 61 17.206 -8.671 1.044 1.00 30.24 C ATOM 939 CE1 HIS A 61 16.546 -6.612 0.685 1.00 54.33 C ATOM 940 NE2 HIS A 61 16.917 -7.461 1.626 1.00 71.14 N ATOM 0 H HIS A 61 17.706 -8.105 -3.402 1.00 33.33 H new ATOM 0 HA HIS A 61 19.287 -9.306 -1.294 1.00 65.34 H new ATOM 0 HB2 HIS A 61 16.396 -9.317 -2.163 1.00 44.30 H new ATOM 0 HB3 HIS A 61 16.962 -10.524 -1.026 1.00 44.30 H new ATOM 0 HD1 HIS A 61 16.348 -6.819 -1.379 1.00 71.52 H new ATOM 0 HD2 HIS A 61 17.536 -9.564 1.554 1.00 30.24 H new ATOM 0 HE1 HIS A 61 16.259 -5.583 0.841 1.00 54.33 H new ATOM 948 N MET A 62 18.552 -10.927 -4.015 1.00 41.25 N ATOM 949 CA MET A 62 18.788 -12.158 -4.761 1.00 15.12 C ATOM 950 C MET A 62 20.282 -12.425 -4.911 1.00 72.03 C ATOM 951 O MET A 62 20.747 -13.541 -4.682 1.00 44.11 O ATOM 952 CB MET A 62 18.130 -12.078 -6.140 1.00 45.11 C ATOM 953 CG MET A 62 17.296 -13.300 -6.487 1.00 71.04 C ATOM 954 SD MET A 62 18.300 -14.774 -6.753 1.00 32.14 S ATOM 955 CE MET A 62 17.781 -15.790 -5.372 1.00 31.02 C ATOM 0 H MET A 62 18.165 -10.165 -4.571 1.00 41.25 H new ATOM 0 HA MET A 62 18.345 -12.983 -4.203 1.00 15.12 H new ATOM 0 HB2 MET A 62 17.496 -11.192 -6.180 1.00 45.11 H new ATOM 0 HB3 MET A 62 18.905 -11.950 -6.896 1.00 45.11 H new ATOM 0 HG2 MET A 62 16.585 -13.490 -5.683 1.00 71.04 H new ATOM 0 HG3 MET A 62 16.714 -13.095 -7.385 1.00 71.04 H new ATOM 0 HE1 MET A 62 18.570 -15.812 -4.620 1.00 31.02 H new ATOM 0 HE2 MET A 62 16.874 -15.373 -4.934 1.00 31.02 H new ATOM 0 HE3 MET A 62 17.583 -16.804 -5.720 1.00 31.02 H new ATOM 965 N GLN A 63 21.027 -11.394 -5.298 1.00 33.43 N ATOM 966 CA GLN A 63 22.468 -11.520 -5.479 1.00 40.24 C ATOM 967 C GLN A 63 23.150 -11.908 -4.171 1.00 52.54 C ATOM 968 O GLN A 63 24.167 -12.601 -4.173 1.00 14.41 O ATOM 969 CB GLN A 63 23.053 -10.207 -6.004 1.00 23.41 C ATOM 970 CG GLN A 63 22.772 -9.014 -5.106 1.00 10.25 C ATOM 971 CD GLN A 63 23.337 -7.721 -5.659 1.00 43.31 C ATOM 972 OE1 GLN A 63 22.610 -7.104 -6.583 1.00 1.42 O flip ATOM 973 NE2 GLN A 63 24.416 -7.281 -5.261 1.00 50.02 N flip ATOM 0 H GLN A 63 20.657 -10.464 -5.492 1.00 33.43 H new ATOM 0 HA GLN A 63 22.650 -12.309 -6.209 1.00 40.24 H new ATOM 0 HB2 GLN A 63 24.131 -10.319 -6.118 1.00 23.41 H new ATOM 0 HB3 GLN A 63 22.646 -10.009 -6.996 1.00 23.41 H new ATOM 0 HG2 GLN A 63 21.695 -8.909 -4.975 1.00 10.25 H new ATOM 0 HG3 GLN A 63 23.197 -9.199 -4.119 1.00 10.25 H new ATOM 0 HE21 GLN A 63 24.942 -7.788 -4.549 1.00 50.02 H new ATOM 0 HE22 GLN A 63 24.784 -6.410 -5.643 1.00 50.02 H new ATOM 982 N GLU A 64 22.583 -11.455 -3.057 1.00 71.13 N ATOM 983 CA GLU A 64 23.138 -11.755 -1.743 1.00 10.54 C ATOM 984 C GLU A 64 22.409 -12.931 -1.100 1.00 24.15 C ATOM 985 O GLU A 64 22.290 -13.007 0.123 1.00 14.03 O ATOM 986 CB GLU A 64 23.047 -10.526 -0.834 1.00 63.45 C ATOM 987 CG GLU A 64 21.632 -10.204 -0.387 1.00 13.24 C ATOM 988 CD GLU A 64 21.468 -8.755 0.031 1.00 32.43 C ATOM 989 OE1 GLU A 64 22.245 -7.906 -0.453 1.00 34.12 O ATOM 990 OE2 GLU A 64 20.562 -8.472 0.843 1.00 52.42 O ATOM 0 H GLU A 64 21.741 -10.880 -3.039 1.00 71.13 H new ATOM 0 HA GLU A 64 24.186 -12.026 -1.873 1.00 10.54 H new ATOM 0 HB2 GLU A 64 23.669 -10.689 0.046 1.00 63.45 H new ATOM 0 HB3 GLU A 64 23.458 -9.664 -1.360 1.00 63.45 H new ATOM 0 HG2 GLU A 64 20.939 -10.425 -1.199 1.00 13.24 H new ATOM 0 HG3 GLU A 64 21.362 -10.852 0.447 1.00 13.24 H new ATOM 997 N TRP A 65 21.925 -13.845 -1.932 1.00 72.20 N ATOM 998 CA TRP A 65 21.207 -15.018 -1.445 1.00 62.13 C ATOM 999 C TRP A 65 21.719 -16.287 -2.118 1.00 21.25 C ATOM 1000 O TRP A 65 21.908 -17.315 -1.465 1.00 1.53 O ATOM 1001 CB TRP A 65 19.706 -14.863 -1.696 1.00 22.43 C ATOM 1002 CG TRP A 65 18.887 -15.967 -1.097 1.00 3.52 C ATOM 1003 CD1 TRP A 65 18.735 -17.232 -1.586 1.00 75.32 C ATOM 1004 CD2 TRP A 65 18.108 -15.901 0.102 1.00 34.03 C ATOM 1005 NE1 TRP A 65 17.907 -17.958 -0.764 1.00 12.35 N ATOM 1006 CE2 TRP A 65 17.510 -17.164 0.280 1.00 74.02 C ATOM 1007 CE3 TRP A 65 17.858 -14.899 1.044 1.00 22.42 C ATOM 1008 CZ2 TRP A 65 16.678 -17.448 1.360 1.00 61.32 C ATOM 1009 CZ3 TRP A 65 17.033 -15.183 2.115 1.00 35.13 C ATOM 1010 CH2 TRP A 65 16.451 -16.449 2.267 1.00 61.04 C ATOM 0 H TRP A 65 22.016 -13.797 -2.947 1.00 72.20 H new ATOM 0 HA TRP A 65 21.382 -15.102 -0.372 1.00 62.13 H new ATOM 0 HB2 TRP A 65 19.373 -13.910 -1.286 1.00 22.43 H new ATOM 0 HB3 TRP A 65 19.526 -14.829 -2.770 1.00 22.43 H new ATOM 0 HD1 TRP A 65 19.198 -17.607 -2.487 1.00 75.32 H new ATOM 0 HE1 TRP A 65 17.633 -18.930 -0.908 1.00 12.35 H new ATOM 0 HE3 TRP A 65 18.302 -13.920 0.936 1.00 22.42 H new ATOM 0 HZ2 TRP A 65 16.228 -18.423 1.478 1.00 61.32 H new ATOM 0 HZ3 TRP A 65 16.833 -14.416 2.848 1.00 35.13 H new ATOM 0 HH2 TRP A 65 15.811 -16.640 3.116 1.00 61.04 H new ATOM 1021 N LEU A 66 21.942 -16.210 -3.425 1.00 21.32 N ATOM 1022 CA LEU A 66 22.433 -17.354 -4.186 1.00 21.02 C ATOM 1023 C LEU A 66 23.874 -17.682 -3.807 1.00 72.01 C ATOM 1024 O LEU A 66 24.313 -18.825 -3.930 1.00 54.03 O ATOM 1025 CB LEU A 66 22.340 -17.071 -5.686 1.00 72.32 C ATOM 1026 CG LEU A 66 20.950 -17.203 -6.309 1.00 35.21 C ATOM 1027 CD1 LEU A 66 20.970 -16.750 -7.760 1.00 74.15 C ATOM 1028 CD2 LEU A 66 20.451 -18.637 -6.203 1.00 24.13 C ATOM 0 H LEU A 66 21.791 -15.368 -3.980 1.00 21.32 H new ATOM 0 HA LEU A 66 21.809 -18.214 -3.945 1.00 21.02 H new ATOM 0 HB2 LEU A 66 22.703 -16.059 -5.868 1.00 72.32 H new ATOM 0 HB3 LEU A 66 23.015 -17.750 -6.206 1.00 72.32 H new ATOM 0 HG LEU A 66 20.264 -16.559 -5.758 1.00 35.21 H new ATOM 0 HD11 LEU A 66 19.972 -16.851 -8.187 1.00 74.15 H new ATOM 0 HD12 LEU A 66 21.282 -15.707 -7.811 1.00 74.15 H new ATOM 0 HD13 LEU A 66 21.670 -17.367 -8.324 1.00 74.15 H new ATOM 0 HD21 LEU A 66 19.460 -18.712 -6.652 1.00 24.13 H new ATOM 0 HD22 LEU A 66 21.138 -19.301 -6.728 1.00 24.13 H new ATOM 0 HD23 LEU A 66 20.397 -18.927 -5.154 1.00 24.13 H new ATOM 1040 N GLU A 67 24.603 -16.672 -3.344 1.00 44.31 N ATOM 1041 CA GLU A 67 25.994 -16.854 -2.946 1.00 63.31 C ATOM 1042 C GLU A 67 26.085 -17.512 -1.572 1.00 42.31 C ATOM 1043 O GLU A 67 27.069 -18.181 -1.254 1.00 42.34 O ATOM 1044 CB GLU A 67 26.724 -15.509 -2.929 1.00 72.44 C ATOM 1045 CG GLU A 67 26.031 -14.452 -2.087 1.00 40.51 C ATOM 1046 CD GLU A 67 26.907 -13.239 -1.837 1.00 32.21 C ATOM 1047 OE1 GLU A 67 27.780 -13.312 -0.947 1.00 33.35 O ATOM 1048 OE2 GLU A 67 26.720 -12.218 -2.530 1.00 54.04 O ATOM 0 H GLU A 67 24.254 -15.720 -3.235 1.00 44.31 H new ATOM 0 HA GLU A 67 26.471 -17.508 -3.676 1.00 63.31 H new ATOM 0 HB2 GLU A 67 27.735 -15.658 -2.550 1.00 72.44 H new ATOM 0 HB3 GLU A 67 26.818 -15.143 -3.951 1.00 72.44 H new ATOM 0 HG2 GLU A 67 25.115 -14.137 -2.587 1.00 40.51 H new ATOM 0 HG3 GLU A 67 25.739 -14.888 -1.132 1.00 40.51 H new ATOM 1055 N THR A 68 25.051 -17.316 -0.759 1.00 65.12 N ATOM 1056 CA THR A 68 25.014 -17.887 0.581 1.00 22.40 C ATOM 1057 C THR A 68 24.216 -19.186 0.603 1.00 15.42 C ATOM 1058 O THR A 68 24.779 -20.270 0.755 1.00 1.44 O ATOM 1059 CB THR A 68 24.401 -16.903 1.594 1.00 35.05 C ATOM 1060 OG1 THR A 68 23.150 -16.409 1.102 1.00 31.11 O ATOM 1061 CG2 THR A 68 25.344 -15.739 1.857 1.00 55.51 C ATOM 0 H THR A 68 24.228 -16.766 -1.006 1.00 65.12 H new ATOM 0 HA THR A 68 26.046 -18.093 0.866 1.00 22.40 H new ATOM 0 HB THR A 68 24.237 -17.436 2.531 1.00 35.05 H new ATOM 0 HG1 THR A 68 22.766 -15.785 1.753 1.00 31.11 H new ATOM 0 HG21 THR A 68 24.889 -15.057 2.576 1.00 55.51 H new ATOM 0 HG22 THR A 68 26.284 -16.116 2.259 1.00 55.51 H new ATOM 0 HG23 THR A 68 25.536 -15.208 0.925 1.00 55.51 H new ATOM 1069 N ARG A 69 22.901 -19.069 0.450 1.00 54.30 N ATOM 1070 CA ARG A 69 22.024 -20.234 0.453 1.00 25.01 C ATOM 1071 C ARG A 69 22.384 -21.187 -0.683 1.00 33.31 C ATOM 1072 O ARG A 69 22.892 -20.768 -1.722 1.00 4.14 O ATOM 1073 CB ARG A 69 20.563 -19.800 0.326 1.00 30.11 C ATOM 1074 CG ARG A 69 19.883 -19.551 1.663 1.00 62.44 C ATOM 1075 CD ARG A 69 19.161 -20.794 2.160 1.00 3.12 C ATOM 1076 NE ARG A 69 18.568 -20.591 3.479 1.00 10.21 N ATOM 1077 CZ ARG A 69 18.147 -21.582 4.256 1.00 32.51 C ATOM 1078 NH1 ARG A 69 18.254 -22.840 3.848 1.00 14.45 N ATOM 1079 NH2 ARG A 69 17.618 -21.318 5.444 1.00 52.42 N ATOM 0 H ARG A 69 22.419 -18.179 0.322 1.00 54.30 H new ATOM 0 HA ARG A 69 22.159 -20.757 1.400 1.00 25.01 H new ATOM 0 HB2 ARG A 69 20.514 -18.890 -0.272 1.00 30.11 H new ATOM 0 HB3 ARG A 69 20.010 -20.568 -0.216 1.00 30.11 H new ATOM 0 HG2 ARG A 69 20.626 -19.242 2.398 1.00 62.44 H new ATOM 0 HG3 ARG A 69 19.172 -18.731 1.564 1.00 62.44 H new ATOM 0 HD2 ARG A 69 18.381 -21.068 1.450 1.00 3.12 H new ATOM 0 HD3 ARG A 69 19.862 -21.628 2.202 1.00 3.12 H new ATOM 0 HE ARG A 69 18.472 -19.635 3.822 1.00 10.21 H new ATOM 0 HH11 ARG A 69 18.660 -23.047 2.936 1.00 14.45 H new ATOM 0 HH12 ARG A 69 17.930 -23.600 4.447 1.00 14.45 H new ATOM 0 HH21 ARG A 69 17.534 -20.352 5.762 1.00 52.42 H new ATOM 0 HH22 ARG A 69 17.295 -22.081 6.039 1.00 52.42 H new ATOM 1093 N GLY A 70 22.115 -22.473 -0.477 1.00 25.31 N ATOM 1094 CA GLY A 70 22.418 -23.466 -1.492 1.00 15.14 C ATOM 1095 C GLY A 70 22.665 -24.840 -0.902 1.00 61.45 C ATOM 1096 O GLY A 70 23.131 -24.963 0.230 1.00 22.02 O ATOM 0 H GLY A 70 21.693 -22.845 0.374 1.00 25.31 H new ATOM 0 HA2 GLY A 70 21.591 -23.521 -2.200 1.00 15.14 H new ATOM 0 HA3 GLY A 70 23.298 -23.151 -2.053 1.00 15.14 H new ATOM 1100 N SER A 71 22.351 -25.878 -1.672 1.00 11.30 N ATOM 1101 CA SER A 71 22.537 -27.251 -1.217 1.00 51.35 C ATOM 1102 C SER A 71 23.959 -27.467 -0.710 1.00 23.00 C ATOM 1103 O SER A 71 24.878 -26.708 -1.020 1.00 23.55 O ATOM 1104 CB SER A 71 22.233 -28.231 -2.352 1.00 23.42 C ATOM 1105 OG SER A 71 20.860 -28.581 -2.370 1.00 22.44 O ATOM 0 H SER A 71 21.967 -25.794 -2.613 1.00 11.30 H new ATOM 0 HA SER A 71 21.846 -27.433 -0.394 1.00 51.35 H new ATOM 0 HB2 SER A 71 22.510 -27.784 -3.307 1.00 23.42 H new ATOM 0 HB3 SER A 71 22.839 -29.129 -2.233 1.00 23.42 H new ATOM 0 HG SER A 71 20.692 -29.207 -3.105 1.00 22.44 H new ATOM 1111 N PRO A 72 24.146 -28.528 0.089 1.00 5.34 N ATOM 1112 CA PRO A 72 25.454 -28.870 0.657 1.00 31.12 C ATOM 1113 C PRO A 72 26.432 -29.371 -0.400 1.00 52.02 C ATOM 1114 O PRO A 72 27.641 -29.165 -0.290 1.00 73.30 O ATOM 1115 CB PRO A 72 25.127 -29.985 1.654 1.00 52.11 C ATOM 1116 CG PRO A 72 23.868 -30.595 1.140 1.00 25.13 C ATOM 1117 CD PRO A 72 23.096 -29.475 0.500 1.00 3.21 C ATOM 0 HA PRO A 72 25.941 -28.005 1.108 1.00 31.12 H new ATOM 0 HB2 PRO A 72 25.931 -30.719 1.705 1.00 52.11 H new ATOM 0 HB3 PRO A 72 24.993 -29.589 2.661 1.00 52.11 H new ATOM 0 HG2 PRO A 72 24.083 -31.383 0.418 1.00 25.13 H new ATOM 0 HG3 PRO A 72 23.297 -31.050 1.949 1.00 25.13 H new ATOM 0 HD2 PRO A 72 22.514 -29.824 -0.353 1.00 3.21 H new ATOM 0 HD3 PRO A 72 22.395 -29.019 1.199 1.00 3.21 H new ATOM 1125 N LYS A 73 25.902 -30.029 -1.425 1.00 74.33 N ATOM 1126 CA LYS A 73 26.727 -30.559 -2.505 1.00 11.44 C ATOM 1127 C LYS A 73 26.752 -29.600 -3.691 1.00 11.23 C ATOM 1128 O LYS A 73 26.852 -30.024 -4.842 1.00 33.21 O ATOM 1129 CB LYS A 73 26.204 -31.926 -2.951 1.00 55.41 C ATOM 1130 CG LYS A 73 26.331 -33.003 -1.888 1.00 2.32 C ATOM 1131 CD LYS A 73 27.771 -33.463 -1.730 1.00 53.21 C ATOM 1132 CE LYS A 73 28.187 -34.389 -2.863 1.00 0.23 C ATOM 1133 NZ LYS A 73 29.209 -35.378 -2.423 1.00 21.43 N ATOM 0 H LYS A 73 24.904 -30.208 -1.531 1.00 74.33 H new ATOM 0 HA LYS A 73 27.744 -30.672 -2.130 1.00 11.44 H new ATOM 0 HB2 LYS A 73 25.156 -31.830 -3.235 1.00 55.41 H new ATOM 0 HB3 LYS A 73 26.748 -32.241 -3.842 1.00 55.41 H new ATOM 0 HG2 LYS A 73 25.964 -32.621 -0.936 1.00 2.32 H new ATOM 0 HG3 LYS A 73 25.703 -33.854 -2.154 1.00 2.32 H new ATOM 0 HD2 LYS A 73 28.431 -32.596 -1.706 1.00 53.21 H new ATOM 0 HD3 LYS A 73 27.887 -33.978 -0.776 1.00 53.21 H new ATOM 0 HE2 LYS A 73 27.311 -34.916 -3.242 1.00 0.23 H new ATOM 0 HE3 LYS A 73 28.585 -33.798 -3.688 1.00 0.23 H new ATOM 0 HZ1 LYS A 73 29.466 -35.991 -3.223 1.00 21.43 H new ATOM 0 HZ2 LYS A 73 30.055 -34.876 -2.085 1.00 21.43 H new ATOM 0 HZ3 LYS A 73 28.821 -35.959 -1.653 1.00 21.43 H new ATOM 1147 N SER A 74 26.662 -28.306 -3.402 1.00 1.43 N ATOM 1148 CA SER A 74 26.672 -27.287 -4.445 1.00 42.11 C ATOM 1149 C SER A 74 27.497 -26.077 -4.015 1.00 70.45 C ATOM 1150 O SER A 74 26.963 -24.985 -3.821 1.00 1.14 O ATOM 1151 CB SER A 74 25.243 -26.852 -4.777 1.00 23.32 C ATOM 1152 OG SER A 74 25.239 -25.740 -5.655 1.00 64.54 O ATOM 0 H SER A 74 26.581 -27.938 -2.454 1.00 1.43 H new ATOM 0 HA SER A 74 27.129 -27.719 -5.335 1.00 42.11 H new ATOM 0 HB2 SER A 74 24.704 -27.682 -5.234 1.00 23.32 H new ATOM 0 HB3 SER A 74 24.715 -26.596 -3.859 1.00 23.32 H new ATOM 0 HG SER A 74 25.569 -24.948 -5.181 1.00 64.54 H new ATOM 1158 N HIS A 75 28.802 -26.281 -3.869 1.00 45.15 N ATOM 1159 CA HIS A 75 29.703 -25.208 -3.463 1.00 52.54 C ATOM 1160 C HIS A 75 29.561 -24.001 -4.387 1.00 22.23 C ATOM 1161 O HIS A 75 29.124 -24.131 -5.531 1.00 24.14 O ATOM 1162 CB HIS A 75 31.150 -25.699 -3.466 1.00 25.31 C ATOM 1163 CG HIS A 75 32.044 -24.936 -2.537 1.00 32.52 C ATOM 1164 ND1 HIS A 75 33.001 -24.046 -2.975 1.00 61.11 N ATOM 1165 CD2 HIS A 75 32.120 -24.934 -1.185 1.00 41.34 C ATOM 1166 CE1 HIS A 75 33.629 -23.530 -1.934 1.00 12.14 C ATOM 1167 NE2 HIS A 75 33.113 -24.052 -0.835 1.00 52.35 N ATOM 0 H HIS A 75 29.259 -27.179 -4.026 1.00 45.15 H new ATOM 0 HA HIS A 75 29.433 -24.904 -2.452 1.00 52.54 H new ATOM 0 HB2 HIS A 75 31.168 -26.753 -3.190 1.00 25.31 H new ATOM 0 HB3 HIS A 75 31.547 -25.628 -4.479 1.00 25.31 H new ATOM 0 HD2 HIS A 75 31.513 -25.517 -0.508 1.00 41.34 H new ATOM 0 HE1 HIS A 75 34.428 -22.805 -1.974 1.00 12.14 H new ATOM 0 HE2 HIS A 75 33.405 -23.835 0.118 1.00 52.35 H new ATOM 1175 N ILE A 76 29.932 -22.829 -3.882 1.00 64.42 N ATOM 1176 CA ILE A 76 29.847 -21.601 -4.662 1.00 12.10 C ATOM 1177 C ILE A 76 31.208 -20.923 -4.771 1.00 3.22 C ATOM 1178 O ILE A 76 31.519 -20.006 -4.011 1.00 10.34 O ATOM 1179 CB ILE A 76 28.841 -20.611 -4.045 1.00 32.31 C ATOM 1180 CG1 ILE A 76 27.461 -21.262 -3.923 1.00 44.01 C ATOM 1181 CG2 ILE A 76 28.763 -19.344 -4.883 1.00 74.01 C ATOM 1182 CD1 ILE A 76 26.515 -20.507 -3.016 1.00 42.00 C ATOM 0 H ILE A 76 30.294 -22.704 -2.937 1.00 64.42 H new ATOM 0 HA ILE A 76 29.504 -21.883 -5.657 1.00 12.10 H new ATOM 0 HB ILE A 76 29.184 -20.342 -3.046 1.00 32.31 H new ATOM 0 HG12 ILE A 76 27.016 -21.340 -4.915 1.00 44.01 H new ATOM 0 HG13 ILE A 76 27.579 -22.278 -3.546 1.00 44.01 H new ATOM 0 HG21 ILE A 76 28.048 -18.654 -4.434 1.00 74.01 H new ATOM 0 HG22 ILE A 76 29.745 -18.873 -4.923 1.00 74.01 H new ATOM 0 HG23 ILE A 76 28.440 -19.595 -5.893 1.00 74.01 H new ATOM 0 HD11 ILE A 76 25.557 -21.025 -2.977 1.00 42.00 H new ATOM 0 HD12 ILE A 76 26.939 -20.452 -2.013 1.00 42.00 H new ATOM 0 HD13 ILE A 76 26.366 -19.499 -3.403 1.00 42.00 H new ATOM 1194 N ASP A 77 32.016 -21.379 -5.722 1.00 32.12 N ATOM 1195 CA ASP A 77 33.344 -20.815 -5.933 1.00 12.21 C ATOM 1196 C ASP A 77 33.250 -19.397 -6.487 1.00 51.50 C ATOM 1197 O ASP A 77 33.905 -18.480 -5.991 1.00 13.43 O ATOM 1198 CB ASP A 77 34.150 -21.696 -6.888 1.00 30.40 C ATOM 1199 CG ASP A 77 35.642 -21.450 -6.783 1.00 42.22 C ATOM 1200 OD1 ASP A 77 36.126 -21.208 -5.657 1.00 43.35 O ATOM 1201 OD2 ASP A 77 36.326 -21.500 -7.827 1.00 1.14 O ATOM 0 H ASP A 77 31.774 -22.138 -6.359 1.00 32.12 H new ATOM 0 HA ASP A 77 33.853 -20.777 -4.970 1.00 12.21 H new ATOM 0 HB2 ASP A 77 33.942 -22.744 -6.674 1.00 30.40 H new ATOM 0 HB3 ASP A 77 33.825 -21.509 -7.912 1.00 30.40 H new ATOM 1206 N LYS A 78 32.432 -19.223 -7.520 1.00 32.34 N ATOM 1207 CA LYS A 78 32.251 -17.917 -8.142 1.00 71.33 C ATOM 1208 C LYS A 78 30.771 -17.619 -8.360 1.00 41.25 C ATOM 1209 O LYS A 78 30.091 -18.318 -9.111 1.00 23.31 O ATOM 1210 CB LYS A 78 32.996 -17.859 -9.478 1.00 2.44 C ATOM 1211 CG LYS A 78 32.908 -16.507 -10.164 1.00 43.43 C ATOM 1212 CD LYS A 78 33.844 -15.494 -9.524 1.00 74.44 C ATOM 1213 CE LYS A 78 35.225 -15.533 -10.159 1.00 24.20 C ATOM 1214 NZ LYS A 78 36.248 -14.871 -9.302 1.00 71.34 N ATOM 0 H LYS A 78 31.884 -19.971 -7.944 1.00 32.34 H new ATOM 0 HA LYS A 78 32.661 -17.162 -7.471 1.00 71.33 H new ATOM 0 HB2 LYS A 78 34.045 -18.105 -9.311 1.00 2.44 H new ATOM 0 HB3 LYS A 78 32.592 -18.622 -10.143 1.00 2.44 H new ATOM 0 HG2 LYS A 78 33.156 -16.617 -11.220 1.00 43.43 H new ATOM 0 HG3 LYS A 78 31.883 -16.139 -10.114 1.00 43.43 H new ATOM 0 HD2 LYS A 78 33.424 -14.493 -9.626 1.00 74.44 H new ATOM 0 HD3 LYS A 78 33.927 -15.698 -8.456 1.00 74.44 H new ATOM 0 HE2 LYS A 78 35.514 -16.569 -10.336 1.00 24.20 H new ATOM 0 HE3 LYS A 78 35.192 -15.041 -11.131 1.00 24.20 H new ATOM 0 HZ1 LYS A 78 37.176 -14.918 -9.769 1.00 71.34 H new ATOM 0 HZ2 LYS A 78 35.985 -13.876 -9.154 1.00 71.34 H new ATOM 0 HZ3 LYS A 78 36.298 -15.356 -8.383 1.00 71.34 H new ATOM 1228 N ALA A 79 30.279 -16.575 -7.701 1.00 21.21 N ATOM 1229 CA ALA A 79 28.881 -16.183 -7.826 1.00 11.40 C ATOM 1230 C ALA A 79 28.755 -14.704 -8.178 1.00 23.11 C ATOM 1231 O ALA A 79 28.828 -13.840 -7.305 1.00 34.51 O ATOM 1232 CB ALA A 79 28.130 -16.486 -6.538 1.00 23.12 C ATOM 0 H ALA A 79 30.828 -15.986 -7.075 1.00 21.21 H new ATOM 0 HA ALA A 79 28.438 -16.762 -8.636 1.00 11.40 H new ATOM 0 HB1 ALA A 79 27.087 -16.188 -6.646 1.00 23.12 H new ATOM 0 HB2 ALA A 79 28.182 -17.555 -6.329 1.00 23.12 H new ATOM 0 HB3 ALA A 79 28.582 -15.933 -5.715 1.00 23.12 H new ATOM 1238 N ASN A 80 28.568 -14.420 -9.463 1.00 34.33 N ATOM 1239 CA ASN A 80 28.433 -13.045 -9.930 1.00 23.40 C ATOM 1240 C ASN A 80 27.262 -12.912 -10.899 1.00 0.15 C ATOM 1241 O ASN A 80 26.545 -13.878 -11.159 1.00 71.23 O ATOM 1242 CB ASN A 80 29.726 -12.587 -10.609 1.00 14.13 C ATOM 1243 CG ASN A 80 30.269 -13.620 -11.577 1.00 35.55 C ATOM 1244 OD1 ASN A 80 29.518 -14.426 -12.127 1.00 20.42 O ATOM 1245 ND2 ASN A 80 31.579 -13.601 -11.788 1.00 63.43 N ATOM 0 H ASN A 80 28.507 -15.123 -10.199 1.00 34.33 H new ATOM 0 HA ASN A 80 28.239 -12.411 -9.065 1.00 23.40 H new ATOM 0 HB2 ASN A 80 29.542 -11.655 -11.143 1.00 14.13 H new ATOM 0 HB3 ASN A 80 30.477 -12.376 -9.848 1.00 14.13 H new ATOM 0 HD21 ASN A 80 32.002 -14.273 -12.428 1.00 63.43 H new ATOM 0 HD22 ASN A 80 32.163 -12.915 -11.310 1.00 63.43 H new ATOM 1252 N PHE A 81 27.074 -11.708 -11.429 1.00 64.12 N ATOM 1253 CA PHE A 81 25.990 -11.447 -12.369 1.00 22.41 C ATOM 1254 C PHE A 81 26.451 -10.517 -13.487 1.00 64.31 C ATOM 1255 O PHE A 81 27.469 -9.837 -13.363 1.00 21.40 O ATOM 1256 CB PHE A 81 24.793 -10.833 -11.641 1.00 35.50 C ATOM 1257 CG PHE A 81 25.167 -9.726 -10.699 1.00 4.44 C ATOM 1258 CD1 PHE A 81 25.662 -8.525 -11.182 1.00 14.32 C ATOM 1259 CD2 PHE A 81 25.025 -9.885 -9.330 1.00 1.24 C ATOM 1260 CE1 PHE A 81 26.008 -7.504 -10.317 1.00 20.13 C ATOM 1261 CE2 PHE A 81 25.369 -8.867 -8.460 1.00 25.55 C ATOM 1262 CZ PHE A 81 25.861 -7.675 -8.954 1.00 74.20 C ATOM 0 H PHE A 81 27.658 -10.898 -11.224 1.00 64.12 H new ATOM 0 HA PHE A 81 25.690 -12.397 -12.812 1.00 22.41 H new ATOM 0 HB2 PHE A 81 24.088 -10.449 -12.378 1.00 35.50 H new ATOM 0 HB3 PHE A 81 24.277 -11.615 -11.083 1.00 35.50 H new ATOM 0 HD1 PHE A 81 25.779 -8.385 -12.247 1.00 14.32 H new ATOM 0 HD2 PHE A 81 24.641 -10.815 -8.938 1.00 1.24 H new ATOM 0 HE1 PHE A 81 26.393 -6.573 -10.706 1.00 20.13 H new ATOM 0 HE2 PHE A 81 25.253 -9.004 -7.395 1.00 25.55 H new ATOM 0 HZ PHE A 81 26.130 -6.878 -8.276 1.00 74.20 H new ATOM 1272 N ASN A 82 25.695 -10.494 -14.579 1.00 74.14 N ATOM 1273 CA ASN A 82 26.026 -9.649 -15.721 1.00 15.22 C ATOM 1274 C ASN A 82 25.597 -8.206 -15.472 1.00 13.03 C ATOM 1275 O ASN A 82 25.004 -7.893 -14.440 1.00 61.40 O ATOM 1276 CB ASN A 82 25.353 -10.181 -16.988 1.00 2.00 C ATOM 1277 CG ASN A 82 26.150 -9.869 -18.240 1.00 23.11 C ATOM 1278 OD1 ASN A 82 27.280 -10.331 -18.401 1.00 71.31 O ATOM 1279 ND2 ASN A 82 25.564 -9.081 -19.133 1.00 72.15 N ATOM 0 H ASN A 82 24.849 -11.051 -14.698 1.00 74.14 H new ATOM 0 HA ASN A 82 27.107 -9.670 -15.856 1.00 15.22 H new ATOM 0 HB2 ASN A 82 25.224 -11.260 -16.902 1.00 2.00 H new ATOM 0 HB3 ASN A 82 24.357 -9.747 -17.077 1.00 2.00 H new ATOM 0 HD21 ASN A 82 26.052 -8.836 -19.995 1.00 72.15 H new ATOM 0 HD22 ASN A 82 24.626 -8.721 -18.958 1.00 72.15 H new ATOM 1286 N ASN A 83 25.900 -7.331 -16.425 1.00 63.21 N ATOM 1287 CA ASN A 83 25.546 -5.921 -16.310 1.00 23.15 C ATOM 1288 C ASN A 83 24.032 -5.737 -16.332 1.00 10.20 C ATOM 1289 O ASN A 83 23.431 -5.587 -17.395 1.00 43.04 O ATOM 1290 CB ASN A 83 26.186 -5.119 -17.444 1.00 51.53 C ATOM 1291 CG ASN A 83 27.646 -4.807 -17.180 1.00 64.25 C ATOM 1292 OD1 ASN A 83 28.532 -5.285 -17.889 1.00 64.31 O ATOM 1293 ND2 ASN A 83 27.904 -4.002 -16.156 1.00 51.04 N ATOM 0 H ASN A 83 26.390 -7.574 -17.286 1.00 63.21 H new ATOM 0 HA ASN A 83 25.925 -5.553 -15.356 1.00 23.15 H new ATOM 0 HB2 ASN A 83 26.100 -5.679 -18.375 1.00 51.53 H new ATOM 0 HB3 ASN A 83 25.637 -4.187 -17.581 1.00 51.53 H new ATOM 0 HD21 ASN A 83 28.868 -3.757 -15.930 1.00 51.04 H new ATOM 0 HD22 ASN A 83 27.138 -3.629 -15.595 1.00 51.04 H new ATOM 1300 N GLU A 84 23.422 -5.749 -15.151 1.00 2.33 N ATOM 1301 CA GLU A 84 21.978 -5.583 -15.036 1.00 20.03 C ATOM 1302 C GLU A 84 21.511 -4.341 -15.790 1.00 20.32 C ATOM 1303 O GLU A 84 22.318 -3.498 -16.182 1.00 23.33 O ATOM 1304 CB GLU A 84 21.569 -5.483 -13.565 1.00 24.45 C ATOM 1305 CG GLU A 84 21.926 -4.153 -12.923 1.00 34.14 C ATOM 1306 CD GLU A 84 22.336 -4.298 -11.470 1.00 0.40 C ATOM 1307 OE1 GLU A 84 21.446 -4.258 -10.595 1.00 23.42 O ATOM 1308 OE2 GLU A 84 23.548 -4.450 -11.209 1.00 32.21 O ATOM 0 H GLU A 84 23.905 -5.872 -14.261 1.00 2.33 H new ATOM 0 HA GLU A 84 21.502 -6.457 -15.480 1.00 20.03 H new ATOM 0 HB2 GLU A 84 20.493 -5.639 -13.484 1.00 24.45 H new ATOM 0 HB3 GLU A 84 22.050 -6.287 -13.007 1.00 24.45 H new ATOM 0 HG2 GLU A 84 22.740 -3.691 -13.482 1.00 34.14 H new ATOM 0 HG3 GLU A 84 21.071 -3.480 -12.990 1.00 34.14 H new ATOM 1315 N LYS A 85 20.202 -4.236 -15.990 1.00 52.42 N ATOM 1316 CA LYS A 85 19.625 -3.098 -16.696 1.00 53.13 C ATOM 1317 C LYS A 85 18.125 -3.000 -16.437 1.00 32.33 C ATOM 1318 O LYS A 85 17.516 -3.926 -15.899 1.00 41.41 O ATOM 1319 CB LYS A 85 19.886 -3.218 -18.199 1.00 61.44 C ATOM 1320 CG LYS A 85 19.606 -4.603 -18.756 1.00 73.44 C ATOM 1321 CD LYS A 85 19.528 -4.589 -20.274 1.00 13.21 C ATOM 1322 CE LYS A 85 20.910 -4.503 -20.902 1.00 41.42 C ATOM 1323 NZ LYS A 85 20.840 -4.417 -22.387 1.00 50.43 N ATOM 0 H LYS A 85 19.520 -4.925 -15.673 1.00 52.42 H new ATOM 0 HA LYS A 85 20.101 -2.192 -16.322 1.00 53.13 H new ATOM 0 HB2 LYS A 85 19.267 -2.492 -18.726 1.00 61.44 H new ATOM 0 HB3 LYS A 85 20.925 -2.958 -18.401 1.00 61.44 H new ATOM 0 HG2 LYS A 85 20.390 -5.290 -18.438 1.00 73.44 H new ATOM 0 HG3 LYS A 85 18.668 -4.978 -18.346 1.00 73.44 H new ATOM 0 HD2 LYS A 85 19.025 -5.491 -20.622 1.00 13.21 H new ATOM 0 HD3 LYS A 85 18.925 -3.742 -20.601 1.00 13.21 H new ATOM 0 HE2 LYS A 85 21.432 -3.630 -20.512 1.00 41.42 H new ATOM 0 HE3 LYS A 85 21.494 -5.378 -20.616 1.00 41.42 H new ATOM 0 HZ1 LYS A 85 21.802 -4.360 -22.777 1.00 50.43 H new ATOM 0 HZ2 LYS A 85 20.364 -5.262 -22.762 1.00 50.43 H new ATOM 0 HZ3 LYS A 85 20.305 -3.568 -22.661 1.00 50.43 H new ATOM 1337 N VAL A 86 17.534 -1.874 -16.823 1.00 51.02 N ATOM 1338 CA VAL A 86 16.105 -1.657 -16.635 1.00 14.25 C ATOM 1339 C VAL A 86 15.320 -2.045 -17.883 1.00 3.31 C ATOM 1340 O VAL A 86 15.776 -1.830 -19.006 1.00 65.04 O ATOM 1341 CB VAL A 86 15.801 -0.187 -16.287 1.00 22.30 C ATOM 1342 CG1 VAL A 86 14.323 -0.006 -15.977 1.00 3.14 C ATOM 1343 CG2 VAL A 86 16.660 0.272 -15.118 1.00 61.43 C ATOM 0 H VAL A 86 18.023 -1.098 -17.268 1.00 51.02 H new ATOM 0 HA VAL A 86 15.796 -2.291 -15.804 1.00 14.25 H new ATOM 0 HB VAL A 86 16.044 0.431 -17.151 1.00 22.30 H new ATOM 0 HG11 VAL A 86 14.128 1.038 -15.734 1.00 3.14 H new ATOM 0 HG12 VAL A 86 13.731 -0.293 -16.846 1.00 3.14 H new ATOM 0 HG13 VAL A 86 14.050 -0.634 -15.129 1.00 3.14 H new ATOM 0 HG21 VAL A 86 16.432 1.312 -14.886 1.00 61.43 H new ATOM 0 HG22 VAL A 86 16.450 -0.349 -14.247 1.00 61.43 H new ATOM 0 HG23 VAL A 86 17.713 0.182 -15.383 1.00 61.43 H new ATOM 1353 N ILE A 87 14.138 -2.616 -17.679 1.00 24.45 N ATOM 1354 CA ILE A 87 13.290 -3.033 -18.788 1.00 13.20 C ATOM 1355 C ILE A 87 11.879 -2.473 -18.641 1.00 32.32 C ATOM 1356 O ILE A 87 11.589 -1.729 -17.703 1.00 33.30 O ATOM 1357 CB ILE A 87 13.213 -4.567 -18.893 1.00 31.41 C ATOM 1358 CG1 ILE A 87 12.660 -5.162 -17.596 1.00 24.10 C ATOM 1359 CG2 ILE A 87 14.585 -5.146 -19.205 1.00 71.21 C ATOM 1360 CD1 ILE A 87 13.725 -5.442 -16.558 1.00 74.21 C ATOM 0 H ILE A 87 13.746 -2.800 -16.756 1.00 24.45 H new ATOM 0 HA ILE A 87 13.743 -2.638 -19.697 1.00 13.20 H new ATOM 0 HB ILE A 87 12.537 -4.827 -19.707 1.00 31.41 H new ATOM 0 HG12 ILE A 87 11.925 -4.476 -17.175 1.00 24.10 H new ATOM 0 HG13 ILE A 87 12.135 -6.089 -17.826 1.00 24.10 H new ATOM 0 HG21 ILE A 87 14.514 -6.231 -19.276 1.00 71.21 H new ATOM 0 HG22 ILE A 87 14.943 -4.743 -20.152 1.00 71.21 H new ATOM 0 HG23 ILE A 87 15.282 -4.879 -18.410 1.00 71.21 H new ATOM 0 HD11 ILE A 87 13.262 -5.862 -15.665 1.00 74.21 H new ATOM 0 HD12 ILE A 87 14.447 -6.152 -16.960 1.00 74.21 H new ATOM 0 HD13 ILE A 87 14.234 -4.514 -16.300 1.00 74.21 H new ATOM 1372 N LEU A 88 11.004 -2.837 -19.572 1.00 60.30 N ATOM 1373 CA LEU A 88 9.621 -2.373 -19.546 1.00 22.43 C ATOM 1374 C LEU A 88 8.827 -3.089 -18.457 1.00 64.15 C ATOM 1375 O LEU A 88 8.160 -2.454 -17.641 1.00 0.12 O ATOM 1376 CB LEU A 88 8.961 -2.599 -20.907 1.00 32.51 C ATOM 1377 CG LEU A 88 9.109 -1.465 -21.921 1.00 71.14 C ATOM 1378 CD1 LEU A 88 10.482 -1.508 -22.573 1.00 62.15 C ATOM 1379 CD2 LEU A 88 8.014 -1.545 -22.975 1.00 34.32 C ATOM 0 H LEU A 88 11.228 -3.452 -20.354 1.00 60.30 H new ATOM 0 HA LEU A 88 9.625 -1.306 -19.324 1.00 22.43 H new ATOM 0 HB2 LEU A 88 9.377 -3.507 -21.344 1.00 32.51 H new ATOM 0 HB3 LEU A 88 7.898 -2.780 -20.747 1.00 32.51 H new ATOM 0 HG LEU A 88 9.009 -0.517 -21.393 1.00 71.14 H new ATOM 0 HD11 LEU A 88 10.569 -0.693 -23.292 1.00 62.15 H new ATOM 0 HD12 LEU A 88 11.251 -1.401 -21.808 1.00 62.15 H new ATOM 0 HD13 LEU A 88 10.611 -2.461 -23.087 1.00 62.15 H new ATOM 0 HD21 LEU A 88 8.135 -0.730 -23.688 1.00 34.32 H new ATOM 0 HD22 LEU A 88 8.082 -2.499 -23.499 1.00 34.32 H new ATOM 0 HD23 LEU A 88 7.039 -1.464 -22.494 1.00 34.32 H new ATOM 1391 N LYS A 89 8.906 -4.416 -18.451 1.00 12.54 N ATOM 1392 CA LYS A 89 8.198 -5.219 -17.461 1.00 21.20 C ATOM 1393 C LYS A 89 8.827 -6.603 -17.333 1.00 41.13 C ATOM 1394 O LYS A 89 9.855 -6.888 -17.949 1.00 71.13 O ATOM 1395 CB LYS A 89 6.722 -5.352 -17.842 1.00 50.54 C ATOM 1396 CG LYS A 89 6.502 -5.917 -19.235 1.00 51.40 C ATOM 1397 CD LYS A 89 5.128 -5.554 -19.773 1.00 41.33 C ATOM 1398 CE LYS A 89 5.151 -4.222 -20.508 1.00 62.10 C ATOM 1399 NZ LYS A 89 3.790 -3.630 -20.627 1.00 32.44 N ATOM 0 H LYS A 89 9.453 -4.957 -19.120 1.00 12.54 H new ATOM 0 HA LYS A 89 8.274 -4.713 -16.498 1.00 21.20 H new ATOM 0 HB2 LYS A 89 6.224 -5.995 -17.116 1.00 50.54 H new ATOM 0 HB3 LYS A 89 6.249 -4.372 -17.778 1.00 50.54 H new ATOM 0 HG2 LYS A 89 7.270 -5.536 -19.909 1.00 51.40 H new ATOM 0 HG3 LYS A 89 6.609 -7.001 -19.210 1.00 51.40 H new ATOM 0 HD2 LYS A 89 4.782 -6.337 -20.448 1.00 41.33 H new ATOM 0 HD3 LYS A 89 4.415 -5.504 -18.950 1.00 41.33 H new ATOM 0 HE2 LYS A 89 5.804 -3.527 -19.980 1.00 62.10 H new ATOM 0 HE3 LYS A 89 5.574 -4.363 -21.503 1.00 62.10 H new ATOM 0 HZ1 LYS A 89 3.849 -2.724 -21.134 1.00 32.44 H new ATOM 0 HZ2 LYS A 89 3.173 -4.281 -21.153 1.00 32.44 H new ATOM 0 HZ3 LYS A 89 3.396 -3.471 -19.678 1.00 32.44 H new ATOM 1413 N LEU A 90 8.204 -7.459 -16.532 1.00 33.33 N ATOM 1414 CA LEU A 90 8.702 -8.815 -16.325 1.00 13.24 C ATOM 1415 C LEU A 90 8.694 -9.603 -17.630 1.00 63.23 C ATOM 1416 O LEU A 90 8.027 -9.223 -18.592 1.00 74.55 O ATOM 1417 CB LEU A 90 7.854 -9.536 -15.275 1.00 51.13 C ATOM 1418 CG LEU A 90 7.612 -8.777 -13.970 1.00 50.53 C ATOM 1419 CD1 LEU A 90 6.464 -9.402 -13.193 1.00 62.54 C ATOM 1420 CD2 LEU A 90 8.878 -8.750 -13.126 1.00 51.33 C ATOM 0 H LEU A 90 7.353 -7.239 -16.015 1.00 33.33 H new ATOM 0 HA LEU A 90 9.730 -8.748 -15.969 1.00 13.24 H new ATOM 0 HB2 LEU A 90 6.887 -9.773 -15.719 1.00 51.13 H new ATOM 0 HB3 LEU A 90 8.336 -10.484 -15.036 1.00 51.13 H new ATOM 0 HG LEU A 90 7.340 -7.750 -14.215 1.00 50.53 H new ATOM 0 HD11 LEU A 90 6.307 -8.848 -12.267 1.00 62.54 H new ATOM 0 HD12 LEU A 90 5.556 -9.368 -13.795 1.00 62.54 H new ATOM 0 HD13 LEU A 90 6.705 -10.439 -12.959 1.00 62.54 H new ATOM 0 HD21 LEU A 90 8.687 -8.206 -12.201 1.00 51.33 H new ATOM 0 HD22 LEU A 90 9.180 -9.770 -12.891 1.00 51.33 H new ATOM 0 HD23 LEU A 90 9.675 -8.254 -13.681 1.00 51.33 H new ATOM 1432 N ASP A 91 9.439 -10.703 -17.655 1.00 50.15 N ATOM 1433 CA ASP A 91 9.516 -11.547 -18.842 1.00 32.30 C ATOM 1434 C ASP A 91 8.616 -12.771 -18.697 1.00 42.23 C ATOM 1435 O ASP A 91 8.042 -13.251 -19.675 1.00 63.01 O ATOM 1436 CB ASP A 91 10.960 -11.987 -19.089 1.00 12.23 C ATOM 1437 CG ASP A 91 11.205 -12.387 -20.530 1.00 71.12 C ATOM 1438 OD1 ASP A 91 10.229 -12.750 -21.219 1.00 32.32 O ATOM 1439 OD2 ASP A 91 12.373 -12.338 -20.970 1.00 21.04 O ATOM 0 H ASP A 91 9.998 -11.031 -16.867 1.00 50.15 H new ATOM 0 HA ASP A 91 9.172 -10.963 -19.696 1.00 32.30 H new ATOM 0 HB2 ASP A 91 11.635 -11.174 -18.821 1.00 12.23 H new ATOM 0 HB3 ASP A 91 11.197 -12.827 -18.436 1.00 12.23 H new ATOM 1444 N TYR A 92 8.499 -13.271 -17.472 1.00 50.23 N ATOM 1445 CA TYR A 92 7.672 -14.441 -17.200 1.00 43.32 C ATOM 1446 C TYR A 92 6.529 -14.091 -16.253 1.00 33.13 C ATOM 1447 O TYR A 92 6.493 -13.002 -15.681 1.00 14.25 O ATOM 1448 CB TYR A 92 8.521 -15.563 -16.601 1.00 3.14 C ATOM 1449 CG TYR A 92 9.171 -16.451 -17.638 1.00 33.03 C ATOM 1450 CD1 TYR A 92 9.919 -15.909 -18.675 1.00 52.13 C ATOM 1451 CD2 TYR A 92 9.037 -17.833 -17.579 1.00 53.12 C ATOM 1452 CE1 TYR A 92 10.513 -16.717 -19.625 1.00 41.43 C ATOM 1453 CE2 TYR A 92 9.629 -18.649 -18.524 1.00 53.51 C ATOM 1454 CZ TYR A 92 10.365 -18.086 -19.545 1.00 44.34 C ATOM 1455 OH TYR A 92 10.957 -18.894 -20.489 1.00 41.20 O ATOM 0 H TYR A 92 8.966 -12.885 -16.652 1.00 50.23 H new ATOM 0 HA TYR A 92 7.246 -14.782 -18.144 1.00 43.32 H new ATOM 0 HB2 TYR A 92 9.297 -15.125 -15.973 1.00 3.14 H new ATOM 0 HB3 TYR A 92 7.894 -16.175 -15.953 1.00 3.14 H new ATOM 0 HD1 TYR A 92 10.038 -14.838 -18.740 1.00 52.13 H new ATOM 0 HD2 TYR A 92 8.460 -18.277 -16.781 1.00 53.12 H new ATOM 0 HE1 TYR A 92 11.090 -16.279 -20.426 1.00 41.43 H new ATOM 0 HE2 TYR A 92 9.516 -19.721 -18.463 1.00 53.51 H new ATOM 0 HH TYR A 92 10.757 -19.832 -20.288 1.00 41.20 H new ATOM 1465 N SER A 93 5.596 -15.024 -16.092 1.00 21.42 N ATOM 1466 CA SER A 93 4.449 -14.816 -15.216 1.00 54.55 C ATOM 1467 C SER A 93 4.567 -15.664 -13.954 1.00 51.00 C ATOM 1468 O SER A 93 4.036 -15.308 -12.902 1.00 21.23 O ATOM 1469 CB SER A 93 3.151 -15.154 -15.952 1.00 53.13 C ATOM 1470 OG SER A 93 2.887 -16.545 -15.907 1.00 34.41 O ATOM 0 H SER A 93 5.612 -15.932 -16.557 1.00 21.42 H new ATOM 0 HA SER A 93 4.431 -13.766 -14.926 1.00 54.55 H new ATOM 0 HB2 SER A 93 2.321 -14.608 -15.502 1.00 53.13 H new ATOM 0 HB3 SER A 93 3.222 -14.827 -16.990 1.00 53.13 H new ATOM 0 HG SER A 93 2.052 -16.735 -16.383 1.00 34.41 H new ATOM 1476 N ASP A 94 5.266 -16.788 -14.068 1.00 4.55 N ATOM 1477 CA ASP A 94 5.456 -17.688 -12.936 1.00 3.30 C ATOM 1478 C ASP A 94 6.774 -18.446 -13.060 1.00 3.32 C ATOM 1479 O ASP A 94 7.259 -18.692 -14.164 1.00 63.33 O ATOM 1480 CB ASP A 94 4.292 -18.675 -12.842 1.00 24.52 C ATOM 1481 CG ASP A 94 4.401 -19.797 -13.856 1.00 24.00 C ATOM 1482 OD1 ASP A 94 4.163 -19.538 -15.054 1.00 22.30 O ATOM 1483 OD2 ASP A 94 4.724 -20.934 -13.452 1.00 2.15 O ATOM 0 H ASP A 94 5.710 -17.098 -14.932 1.00 4.55 H new ATOM 0 HA ASP A 94 5.487 -17.088 -12.027 1.00 3.30 H new ATOM 0 HB2 ASP A 94 4.259 -19.098 -11.838 1.00 24.52 H new ATOM 0 HB3 ASP A 94 3.354 -18.141 -12.994 1.00 24.52 H new ATOM 1488 N PHE A 95 7.350 -18.812 -11.919 1.00 52.13 N ATOM 1489 CA PHE A 95 8.613 -19.540 -11.900 1.00 21.12 C ATOM 1490 C PHE A 95 8.528 -20.800 -12.756 1.00 50.15 C ATOM 1491 O PHE A 95 7.638 -21.629 -12.571 1.00 21.41 O ATOM 1492 CB PHE A 95 8.990 -19.911 -10.464 1.00 4.30 C ATOM 1493 CG PHE A 95 8.007 -20.835 -9.805 1.00 55.31 C ATOM 1494 CD1 PHE A 95 6.861 -20.336 -9.206 1.00 41.22 C ATOM 1495 CD2 PHE A 95 8.228 -22.202 -9.784 1.00 75.52 C ATOM 1496 CE1 PHE A 95 5.953 -21.183 -8.599 1.00 65.44 C ATOM 1497 CE2 PHE A 95 7.323 -23.055 -9.179 1.00 43.13 C ATOM 1498 CZ PHE A 95 6.186 -22.545 -8.585 1.00 54.31 C ATOM 0 H PHE A 95 6.962 -18.616 -10.996 1.00 52.13 H new ATOM 0 HA PHE A 95 9.384 -18.891 -12.316 1.00 21.12 H new ATOM 0 HB2 PHE A 95 9.973 -20.381 -10.465 1.00 4.30 H new ATOM 0 HB3 PHE A 95 9.073 -19.000 -9.872 1.00 4.30 H new ATOM 0 HD1 PHE A 95 6.675 -19.272 -9.214 1.00 41.22 H new ATOM 0 HD2 PHE A 95 9.117 -22.606 -10.245 1.00 75.52 H new ATOM 0 HE1 PHE A 95 5.063 -20.781 -8.137 1.00 65.44 H new ATOM 0 HE2 PHE A 95 7.506 -24.119 -9.171 1.00 43.13 H new ATOM 0 HZ PHE A 95 5.480 -23.210 -8.110 1.00 54.31 H new ATOM 1508 N GLN A 96 9.460 -20.934 -13.695 1.00 33.33 N ATOM 1509 CA GLN A 96 9.489 -22.092 -14.581 1.00 3.20 C ATOM 1510 C GLN A 96 10.912 -22.386 -15.045 1.00 21.35 C ATOM 1511 O GLN A 96 11.595 -21.511 -15.577 1.00 3.13 O ATOM 1512 CB GLN A 96 8.584 -21.857 -15.792 1.00 2.04 C ATOM 1513 CG GLN A 96 7.140 -22.273 -15.562 1.00 24.34 C ATOM 1514 CD GLN A 96 7.012 -23.722 -15.134 1.00 12.14 C ATOM 1515 OE1 GLN A 96 6.542 -24.017 -14.034 1.00 71.24 O ATOM 1516 NE2 GLN A 96 7.430 -24.635 -16.002 1.00 73.41 N ATOM 0 H GLN A 96 10.204 -20.256 -13.861 1.00 33.33 H new ATOM 0 HA GLN A 96 9.122 -22.954 -14.024 1.00 3.20 H new ATOM 0 HB2 GLN A 96 8.611 -20.800 -16.056 1.00 2.04 H new ATOM 0 HB3 GLN A 96 8.981 -22.408 -16.644 1.00 2.04 H new ATOM 0 HG2 GLN A 96 6.698 -21.632 -14.799 1.00 24.34 H new ATOM 0 HG3 GLN A 96 6.570 -22.117 -16.478 1.00 24.34 H new ATOM 0 HE21 GLN A 96 7.813 -24.345 -16.902 1.00 73.41 H new ATOM 0 HE22 GLN A 96 7.369 -25.626 -15.769 1.00 73.41 H new ATOM 1525 N ILE A 97 11.352 -23.623 -14.838 1.00 41.05 N ATOM 1526 CA ILE A 97 12.693 -24.032 -15.236 1.00 64.21 C ATOM 1527 C ILE A 97 12.728 -24.453 -16.701 1.00 71.43 C ATOM 1528 O ILE A 97 11.777 -25.047 -17.210 1.00 61.04 O ATOM 1529 CB ILE A 97 13.208 -25.195 -14.367 1.00 41.11 C ATOM 1530 CG1 ILE A 97 13.215 -24.793 -12.891 1.00 14.12 C ATOM 1531 CG2 ILE A 97 14.601 -25.614 -14.814 1.00 12.23 C ATOM 1532 CD1 ILE A 97 13.352 -25.966 -11.946 1.00 14.03 C ATOM 0 H ILE A 97 10.800 -24.359 -14.397 1.00 41.05 H new ATOM 0 HA ILE A 97 13.341 -23.167 -15.094 1.00 64.21 H new ATOM 0 HB ILE A 97 12.537 -26.045 -14.490 1.00 41.11 H new ATOM 0 HG12 ILE A 97 14.036 -24.098 -12.716 1.00 14.12 H new ATOM 0 HG13 ILE A 97 12.292 -24.260 -12.664 1.00 14.12 H new ATOM 0 HG21 ILE A 97 14.951 -26.437 -14.190 1.00 12.23 H new ATOM 0 HG22 ILE A 97 14.568 -25.936 -15.855 1.00 12.23 H new ATOM 0 HG23 ILE A 97 15.283 -24.770 -14.717 1.00 12.23 H new ATOM 0 HD11 ILE A 97 13.350 -25.606 -10.917 1.00 14.03 H new ATOM 0 HD12 ILE A 97 12.517 -26.651 -12.093 1.00 14.03 H new ATOM 0 HD13 ILE A 97 14.288 -26.487 -12.146 1.00 14.03 H new ATOM 1544 N VAL A 98 13.831 -24.144 -17.375 1.00 5.24 N ATOM 1545 CA VAL A 98 13.992 -24.493 -18.781 1.00 41.31 C ATOM 1546 C VAL A 98 14.629 -25.869 -18.937 1.00 3.14 C ATOM 1547 O VAL A 98 15.585 -26.206 -18.237 1.00 52.11 O ATOM 1548 CB VAL A 98 14.854 -23.453 -19.522 1.00 71.32 C ATOM 1549 CG1 VAL A 98 15.013 -23.837 -20.986 1.00 15.24 C ATOM 1550 CG2 VAL A 98 14.246 -22.065 -19.389 1.00 72.32 C ATOM 0 H VAL A 98 14.627 -23.652 -16.969 1.00 5.24 H new ATOM 0 HA VAL A 98 12.994 -24.507 -19.220 1.00 41.31 H new ATOM 0 HB VAL A 98 15.844 -23.436 -19.066 1.00 71.32 H new ATOM 0 HG11 VAL A 98 15.625 -23.091 -21.493 1.00 15.24 H new ATOM 0 HG12 VAL A 98 15.496 -24.811 -21.056 1.00 15.24 H new ATOM 0 HG13 VAL A 98 14.032 -23.884 -21.458 1.00 15.24 H new ATOM 0 HG21 VAL A 98 14.868 -21.343 -19.918 1.00 72.32 H new ATOM 0 HG22 VAL A 98 13.244 -22.064 -19.818 1.00 72.32 H new ATOM 0 HG23 VAL A 98 14.190 -21.792 -18.335 1.00 72.32 H new ATOM 1560 N LYS A 99 14.094 -26.662 -19.859 1.00 44.40 N ATOM 1561 CA LYS A 99 14.611 -28.002 -20.109 1.00 52.15 C ATOM 1562 C LYS A 99 15.656 -27.984 -21.221 1.00 14.44 C ATOM 1563 O LYS A 99 15.365 -27.597 -22.353 1.00 1.21 O ATOM 1564 CB LYS A 99 13.469 -28.949 -20.484 1.00 54.04 C ATOM 1565 CG LYS A 99 13.886 -30.408 -20.552 1.00 15.03 C ATOM 1566 CD LYS A 99 13.758 -31.087 -19.198 1.00 71.35 C ATOM 1567 CE LYS A 99 14.075 -32.572 -19.288 1.00 72.22 C ATOM 1568 NZ LYS A 99 14.321 -33.169 -17.946 1.00 41.22 N ATOM 0 H LYS A 99 13.302 -26.400 -20.446 1.00 44.40 H new ATOM 0 HA LYS A 99 15.085 -28.358 -19.194 1.00 52.15 H new ATOM 0 HB2 LYS A 99 12.666 -28.843 -19.755 1.00 54.04 H new ATOM 0 HB3 LYS A 99 13.063 -28.650 -21.451 1.00 54.04 H new ATOM 0 HG2 LYS A 99 13.268 -30.931 -21.282 1.00 15.03 H new ATOM 0 HG3 LYS A 99 14.917 -30.477 -20.899 1.00 15.03 H new ATOM 0 HD2 LYS A 99 14.433 -30.612 -18.486 1.00 71.35 H new ATOM 0 HD3 LYS A 99 12.746 -30.952 -18.816 1.00 71.35 H new ATOM 0 HE2 LYS A 99 13.247 -33.092 -19.770 1.00 72.22 H new ATOM 0 HE3 LYS A 99 14.953 -32.718 -19.917 1.00 72.22 H new ATOM 0 HZ1 LYS A 99 14.533 -34.182 -18.050 1.00 41.22 H new ATOM 0 HZ2 LYS A 99 15.127 -32.691 -17.496 1.00 41.22 H new ATOM 0 HZ3 LYS A 99 13.474 -33.052 -17.354 1.00 41.22 H new TER 1582 LYS A 99