USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=17 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 43 THR OG1 : rot -84:sc= 1.24 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.056 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 70:sc= -0.0614 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.047) USER MOD Single : A 27 THR OG1 : rot 75:sc= 0.986 USER MOD Single : A 28 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.3!) USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= 0.155 (180deg=-0.116) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0537 (180deg=-0.325) USER MOD Single : A 41 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.3!) USER MOD Single : A 42 ASN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 49 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.3!) USER MOD Single : A 51 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.6!) USER MOD Single : A 53 GLN : amide:sc= -0.372 K(o=-0.37,f=-5.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= 0.0506 K(o=0.051,f=-2.8!) USER MOD Single : A 62 MET CE :methyl 180:sc= -0.0945 (180deg=-0.0945) USER MOD Single : A 63 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.022) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -130:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 146:sc= -0.808! USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.9!) USER MOD Single : A 82 ASN : amide:sc= -0.235 K(o=-0.23,f=-1.3) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -0.322 (180deg=-1.55!) 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= -0.0657 X(o=-0.066,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.135 4.567 -4.842 1.00 61.31 N ATOM 2 CA GLY A 1 20.862 4.547 -4.145 1.00 25.00 C ATOM 3 C GLY A 1 19.689 4.362 -5.086 1.00 73.11 C ATOM 4 O GLY A 1 19.769 4.706 -6.265 1.00 24.02 O ATOM 0 H1 GLY A 1 22.698 5.377 -4.513 1.00 61.31 H new ATOM 0 H2 GLY A 1 22.651 3.685 -4.648 1.00 61.31 H new ATOM 0 H3 GLY A 1 21.969 4.653 -5.865 1.00 61.31 H new ATOM 0 HA2 GLY A 1 20.866 3.741 -3.411 1.00 25.00 H new ATOM 0 HA3 GLY A 1 20.738 5.479 -3.594 1.00 25.00 H new ATOM 8 N ALA A 2 18.595 3.815 -4.565 1.00 41.21 N ATOM 9 CA ALA A 2 17.400 3.585 -5.367 1.00 12.20 C ATOM 10 C ALA A 2 16.149 3.568 -4.495 1.00 53.42 C ATOM 11 O ALA A 2 16.225 3.335 -3.289 1.00 41.15 O ATOM 12 CB ALA A 2 17.525 2.280 -6.139 1.00 21.02 C ATOM 0 H ALA A 2 18.512 3.523 -3.591 1.00 41.21 H new ATOM 0 HA ALA A 2 17.306 4.407 -6.077 1.00 12.20 H new ATOM 0 HB1 ALA A 2 16.625 2.121 -6.733 1.00 21.02 H new ATOM 0 HB2 ALA A 2 18.392 2.329 -6.798 1.00 21.02 H new ATOM 0 HB3 ALA A 2 17.648 1.454 -5.439 1.00 21.02 H new ATOM 18 N GLU A 3 14.999 3.818 -5.114 1.00 33.14 N ATOM 19 CA GLU A 3 13.732 3.833 -4.392 1.00 33.41 C ATOM 20 C GLU A 3 12.553 3.821 -5.361 1.00 42.03 C ATOM 21 O GLU A 3 12.614 4.416 -6.436 1.00 52.14 O ATOM 22 CB GLU A 3 13.649 5.063 -3.486 1.00 43.34 C ATOM 23 CG GLU A 3 12.664 4.911 -2.340 1.00 20.51 C ATOM 24 CD GLU A 3 12.998 5.804 -1.161 1.00 13.00 C ATOM 25 OE1 GLU A 3 14.144 5.735 -0.671 1.00 24.00 O ATOM 26 OE2 GLU A 3 12.113 6.572 -0.728 1.00 71.44 O ATOM 0 H GLU A 3 14.919 4.013 -6.112 1.00 33.14 H new ATOM 0 HA GLU A 3 13.684 2.934 -3.777 1.00 33.41 H new ATOM 0 HB2 GLU A 3 14.638 5.270 -3.078 1.00 43.34 H new ATOM 0 HB3 GLU A 3 13.364 5.927 -4.086 1.00 43.34 H new ATOM 0 HG2 GLU A 3 11.660 5.145 -2.695 1.00 20.51 H new ATOM 0 HG3 GLU A 3 12.652 3.872 -2.012 1.00 20.51 H new ATOM 33 N GLY A 4 11.481 3.138 -4.972 1.00 72.12 N ATOM 34 CA GLY A 4 10.304 3.060 -5.817 1.00 52.24 C ATOM 35 C GLY A 4 10.195 1.732 -6.540 1.00 22.04 C ATOM 36 O GLY A 4 10.750 0.728 -6.094 1.00 14.53 O ATOM 0 H GLY A 4 11.407 2.637 -4.087 1.00 72.12 H new ATOM 0 HA2 GLY A 4 9.413 3.213 -5.208 1.00 52.24 H new ATOM 0 HA3 GLY A 4 10.332 3.867 -6.549 1.00 52.24 H new ATOM 40 N ASN A 5 9.477 1.725 -7.658 1.00 0.20 N ATOM 41 CA ASN A 5 9.295 0.509 -8.442 1.00 44.24 C ATOM 42 C ASN A 5 10.213 0.506 -9.661 1.00 24.30 C ATOM 43 O ASN A 5 9.817 0.915 -10.753 1.00 1.44 O ATOM 44 CB ASN A 5 7.838 0.378 -8.888 1.00 34.43 C ATOM 45 CG ASN A 5 7.271 1.685 -9.406 1.00 41.40 C ATOM 46 OD1 ASN A 5 6.963 2.591 -8.632 1.00 11.44 O ATOM 47 ND2 ASN A 5 7.131 1.789 -10.723 1.00 22.15 N ATOM 0 H ASN A 5 9.012 2.548 -8.042 1.00 0.20 H new ATOM 0 HA ASN A 5 9.553 -0.342 -7.812 1.00 44.24 H new ATOM 0 HB2 ASN A 5 7.767 -0.380 -9.668 1.00 34.43 H new ATOM 0 HB3 ASN A 5 7.234 0.030 -8.050 1.00 34.43 H new ATOM 0 HD21 ASN A 5 6.755 2.645 -11.130 1.00 22.15 H new ATOM 0 HD22 ASN A 5 7.399 1.012 -11.327 1.00 22.15 H new ATOM 54 N THR A 6 11.443 0.040 -9.467 1.00 64.43 N ATOM 55 CA THR A 6 12.418 -0.017 -10.549 1.00 64.11 C ATOM 56 C THR A 6 12.619 -1.448 -11.034 1.00 30.31 C ATOM 57 O THR A 6 13.639 -2.075 -10.745 1.00 61.41 O ATOM 58 CB THR A 6 13.778 0.560 -10.111 1.00 72.20 C ATOM 59 OG1 THR A 6 13.581 1.767 -9.366 1.00 73.31 O ATOM 60 CG2 THR A 6 14.660 0.841 -11.318 1.00 24.03 C ATOM 0 H THR A 6 11.787 -0.303 -8.570 1.00 64.43 H new ATOM 0 HA THR A 6 12.020 0.587 -11.364 1.00 64.11 H new ATOM 0 HB THR A 6 14.275 -0.178 -9.481 1.00 72.20 H new ATOM 0 HG1 THR A 6 14.450 2.126 -9.090 1.00 73.31 H new ATOM 0 HG21 THR A 6 15.615 1.248 -10.984 1.00 24.03 H new ATOM 0 HG22 THR A 6 14.832 -0.085 -11.866 1.00 24.03 H new ATOM 0 HG23 THR A 6 14.166 1.562 -11.969 1.00 24.03 H new ATOM 68 N LEU A 7 11.641 -1.960 -11.773 1.00 32.23 N ATOM 69 CA LEU A 7 11.710 -3.319 -12.299 1.00 43.01 C ATOM 70 C LEU A 7 12.958 -3.508 -13.155 1.00 43.15 C ATOM 71 O LEU A 7 13.069 -2.940 -14.243 1.00 32.15 O ATOM 72 CB LEU A 7 10.460 -3.632 -13.123 1.00 63.41 C ATOM 73 CG LEU A 7 9.260 -4.172 -12.344 1.00 4.33 C ATOM 74 CD1 LEU A 7 9.617 -5.479 -11.653 1.00 14.35 C ATOM 75 CD2 LEU A 7 8.778 -3.145 -11.330 1.00 15.40 C ATOM 0 H LEU A 7 10.791 -1.455 -12.022 1.00 32.23 H new ATOM 0 HA LEU A 7 11.763 -4.007 -11.455 1.00 43.01 H new ATOM 0 HB2 LEU A 7 10.153 -2.723 -13.640 1.00 63.41 H new ATOM 0 HB3 LEU A 7 10.727 -4.359 -13.889 1.00 63.41 H new ATOM 0 HG LEU A 7 8.451 -4.366 -13.048 1.00 4.33 H new ATOM 0 HD11 LEU A 7 8.751 -5.848 -11.104 1.00 14.35 H new ATOM 0 HD12 LEU A 7 9.915 -6.216 -12.399 1.00 14.35 H new ATOM 0 HD13 LEU A 7 10.442 -5.311 -10.960 1.00 14.35 H new ATOM 0 HD21 LEU A 7 7.924 -3.546 -10.784 1.00 15.40 H new ATOM 0 HD22 LEU A 7 9.582 -2.920 -10.630 1.00 15.40 H new ATOM 0 HD23 LEU A 7 8.482 -2.233 -11.848 1.00 15.40 H new ATOM 87 N ILE A 8 13.894 -4.310 -12.659 1.00 61.23 N ATOM 88 CA ILE A 8 15.132 -4.576 -13.381 1.00 23.42 C ATOM 89 C ILE A 8 15.306 -6.069 -13.643 1.00 0.43 C ATOM 90 O ILE A 8 14.526 -6.889 -13.159 1.00 25.14 O ATOM 91 CB ILE A 8 16.358 -4.056 -12.607 1.00 31.54 C ATOM 92 CG1 ILE A 8 16.367 -4.620 -11.184 1.00 71.53 C ATOM 93 CG2 ILE A 8 16.361 -2.535 -12.579 1.00 72.41 C ATOM 94 CD1 ILE A 8 17.638 -4.317 -10.422 1.00 14.01 C ATOM 0 H ILE A 8 13.819 -4.787 -11.760 1.00 61.23 H new ATOM 0 HA ILE A 8 15.062 -4.048 -14.332 1.00 23.42 H new ATOM 0 HB ILE A 8 17.261 -4.392 -13.117 1.00 31.54 H new ATOM 0 HG12 ILE A 8 15.518 -4.213 -10.635 1.00 71.53 H new ATOM 0 HG13 ILE A 8 16.229 -5.700 -11.229 1.00 71.53 H new ATOM 0 HG21 ILE A 8 17.233 -2.183 -12.029 1.00 72.41 H new ATOM 0 HG22 ILE A 8 16.397 -2.152 -13.599 1.00 72.41 H new ATOM 0 HG23 ILE A 8 15.455 -2.178 -12.089 1.00 72.41 H new ATOM 0 HD11 ILE A 8 17.574 -4.747 -9.422 1.00 14.01 H new ATOM 0 HD12 ILE A 8 18.489 -4.748 -10.949 1.00 14.01 H new ATOM 0 HD13 ILE A 8 17.768 -3.237 -10.345 1.00 14.01 H new ATOM 106 N SER A 9 16.335 -6.413 -14.411 1.00 32.35 N ATOM 107 CA SER A 9 16.610 -7.807 -14.739 1.00 25.13 C ATOM 108 C SER A 9 18.110 -8.044 -14.885 1.00 65.24 C ATOM 109 O SER A 9 18.819 -7.250 -15.504 1.00 12.31 O ATOM 110 CB SER A 9 15.892 -8.201 -16.031 1.00 13.33 C ATOM 111 OG SER A 9 16.503 -9.330 -16.630 1.00 75.03 O ATOM 0 H SER A 9 16.991 -5.746 -14.817 1.00 32.35 H new ATOM 0 HA SER A 9 16.239 -8.427 -13.923 1.00 25.13 H new ATOM 0 HB2 SER A 9 14.846 -8.420 -15.817 1.00 13.33 H new ATOM 0 HB3 SER A 9 15.906 -7.363 -16.728 1.00 13.33 H new ATOM 0 HG SER A 9 16.025 -9.563 -17.453 1.00 75.03 H new ATOM 117 N VAL A 10 18.588 -9.144 -14.312 1.00 3.15 N ATOM 118 CA VAL A 10 20.004 -9.488 -14.378 1.00 55.13 C ATOM 119 C VAL A 10 20.200 -10.999 -14.432 1.00 51.22 C ATOM 120 O VAL A 10 19.383 -11.760 -13.914 1.00 30.20 O ATOM 121 CB VAL A 10 20.776 -8.924 -13.171 1.00 11.30 C ATOM 122 CG1 VAL A 10 20.336 -9.611 -11.887 1.00 42.11 C ATOM 123 CG2 VAL A 10 22.275 -9.075 -13.380 1.00 60.20 C ATOM 0 H VAL A 10 18.015 -9.813 -13.797 1.00 3.15 H new ATOM 0 HA VAL A 10 20.396 -9.040 -15.291 1.00 55.13 H new ATOM 0 HB VAL A 10 20.550 -7.861 -13.082 1.00 11.30 H new ATOM 0 HG11 VAL A 10 20.892 -9.199 -11.045 1.00 42.11 H new ATOM 0 HG12 VAL A 10 19.270 -9.446 -11.733 1.00 42.11 H new ATOM 0 HG13 VAL A 10 20.530 -10.681 -11.962 1.00 42.11 H new ATOM 0 HG21 VAL A 10 22.805 -8.671 -12.517 1.00 60.20 H new ATOM 0 HG22 VAL A 10 22.522 -10.130 -13.496 1.00 60.20 H new ATOM 0 HG23 VAL A 10 22.574 -8.532 -14.276 1.00 60.20 H new ATOM 133 N ASP A 11 21.289 -11.426 -15.062 1.00 74.12 N ATOM 134 CA ASP A 11 21.594 -12.847 -15.183 1.00 0.10 C ATOM 135 C ASP A 11 22.317 -13.355 -13.939 1.00 52.13 C ATOM 136 O ASP A 11 22.477 -12.625 -12.961 1.00 21.24 O ATOM 137 CB ASP A 11 22.449 -13.103 -16.425 1.00 50.21 C ATOM 138 CG ASP A 11 23.921 -12.839 -16.179 1.00 25.32 C ATOM 139 OD1 ASP A 11 24.236 -11.922 -15.393 1.00 1.52 O ATOM 140 OD2 ASP A 11 24.759 -13.550 -16.773 1.00 23.23 O ATOM 0 H ASP A 11 21.975 -10.809 -15.497 1.00 74.12 H new ATOM 0 HA ASP A 11 20.653 -13.388 -15.281 1.00 0.10 H new ATOM 0 HB2 ASP A 11 22.317 -14.136 -16.747 1.00 50.21 H new ATOM 0 HB3 ASP A 11 22.100 -12.468 -17.240 1.00 50.21 H new ATOM 145 N TYR A 12 22.750 -14.610 -13.984 1.00 52.13 N ATOM 146 CA TYR A 12 23.452 -15.217 -12.860 1.00 3.20 C ATOM 147 C TYR A 12 24.146 -16.508 -13.284 1.00 12.02 C ATOM 148 O TYR A 12 23.577 -17.320 -14.013 1.00 12.15 O ATOM 149 CB TYR A 12 22.478 -15.500 -11.716 1.00 33.24 C ATOM 150 CG TYR A 12 23.125 -15.478 -10.349 1.00 63.34 C ATOM 151 CD1 TYR A 12 23.606 -14.293 -9.806 1.00 35.13 C ATOM 152 CD2 TYR A 12 23.258 -16.642 -9.603 1.00 32.42 C ATOM 153 CE1 TYR A 12 24.199 -14.268 -8.558 1.00 74.32 C ATOM 154 CE2 TYR A 12 23.848 -16.627 -8.354 1.00 1.30 C ATOM 155 CZ TYR A 12 24.317 -15.437 -7.836 1.00 60.41 C ATOM 156 OH TYR A 12 24.907 -15.418 -6.593 1.00 51.10 O ATOM 0 H TYR A 12 22.627 -15.227 -14.787 1.00 52.13 H new ATOM 0 HA TYR A 12 24.211 -14.514 -12.516 1.00 3.20 H new ATOM 0 HB2 TYR A 12 21.677 -14.761 -11.741 1.00 33.24 H new ATOM 0 HB3 TYR A 12 22.018 -16.475 -11.875 1.00 33.24 H new ATOM 0 HD1 TYR A 12 23.515 -13.376 -10.369 1.00 35.13 H new ATOM 0 HD2 TYR A 12 22.894 -17.575 -10.006 1.00 32.42 H new ATOM 0 HE1 TYR A 12 24.568 -13.338 -8.150 1.00 74.32 H new ATOM 0 HE2 TYR A 12 23.942 -17.541 -7.786 1.00 1.30 H new ATOM 0 HH TYR A 12 24.321 -14.954 -5.960 1.00 51.10 H new ATOM 166 N GLU A 13 25.379 -16.689 -12.821 1.00 35.55 N ATOM 167 CA GLU A 13 26.150 -17.882 -13.151 1.00 44.54 C ATOM 168 C GLU A 13 27.093 -18.253 -12.011 1.00 24.14 C ATOM 169 O GLU A 13 27.690 -17.383 -11.376 1.00 42.43 O ATOM 170 CB GLU A 13 26.950 -17.658 -14.437 1.00 2.25 C ATOM 171 CG GLU A 13 27.464 -18.942 -15.065 1.00 73.32 C ATOM 172 CD GLU A 13 28.685 -18.718 -15.935 1.00 62.24 C ATOM 173 OE1 GLU A 13 28.514 -18.308 -17.102 1.00 41.44 O ATOM 174 OE2 GLU A 13 29.811 -18.953 -15.450 1.00 63.40 O ATOM 0 H GLU A 13 25.865 -16.026 -12.217 1.00 35.55 H new ATOM 0 HA GLU A 13 25.452 -18.705 -13.304 1.00 44.54 H new ATOM 0 HB2 GLU A 13 26.322 -17.136 -15.159 1.00 2.25 H new ATOM 0 HB3 GLU A 13 27.796 -17.006 -14.220 1.00 2.25 H new ATOM 0 HG2 GLU A 13 27.710 -19.654 -14.277 1.00 73.32 H new ATOM 0 HG3 GLU A 13 26.672 -19.391 -15.665 1.00 73.32 H new ATOM 181 N ILE A 14 27.222 -19.551 -11.756 1.00 15.11 N ATOM 182 CA ILE A 14 28.092 -20.038 -10.693 1.00 14.24 C ATOM 183 C ILE A 14 29.060 -21.094 -11.215 1.00 12.21 C ATOM 184 O ILE A 14 28.722 -21.876 -12.104 1.00 1.30 O ATOM 185 CB ILE A 14 27.278 -20.634 -9.528 1.00 64.05 C ATOM 186 CG1 ILE A 14 26.181 -19.661 -9.093 1.00 53.14 C ATOM 187 CG2 ILE A 14 28.193 -20.966 -8.359 1.00 61.41 C ATOM 188 CD1 ILE A 14 26.712 -18.339 -8.584 1.00 71.25 C ATOM 0 H ILE A 14 26.735 -20.284 -12.271 1.00 15.11 H new ATOM 0 HA ILE A 14 28.657 -19.180 -10.329 1.00 14.24 H new ATOM 0 HB ILE A 14 26.806 -21.556 -9.868 1.00 64.05 H new ATOM 0 HG12 ILE A 14 25.516 -19.476 -9.936 1.00 53.14 H new ATOM 0 HG13 ILE A 14 25.582 -20.128 -8.311 1.00 53.14 H new ATOM 0 HG21 ILE A 14 27.604 -21.386 -7.544 1.00 61.41 H new ATOM 0 HG22 ILE A 14 28.941 -21.692 -8.677 1.00 61.41 H new ATOM 0 HG23 ILE A 14 28.690 -20.058 -8.017 1.00 61.41 H new ATOM 0 HD11 ILE A 14 25.878 -17.700 -8.294 1.00 71.25 H new ATOM 0 HD12 ILE A 14 27.354 -18.513 -7.720 1.00 71.25 H new ATOM 0 HD13 ILE A 14 27.287 -17.851 -9.371 1.00 71.25 H new ATOM 200 N PHE A 15 30.265 -21.112 -10.655 1.00 70.13 N ATOM 201 CA PHE A 15 31.283 -22.073 -11.064 1.00 30.04 C ATOM 202 C PHE A 15 31.566 -23.073 -9.946 1.00 44.14 C ATOM 203 O PHE A 15 31.585 -22.716 -8.769 1.00 63.22 O ATOM 204 CB PHE A 15 32.572 -21.347 -11.453 1.00 65.42 C ATOM 205 CG PHE A 15 33.558 -22.222 -12.175 1.00 55.53 C ATOM 206 CD1 PHE A 15 34.504 -22.949 -11.472 1.00 32.22 C ATOM 207 CD2 PHE A 15 33.537 -22.316 -13.557 1.00 70.15 C ATOM 208 CE1 PHE A 15 35.412 -23.754 -12.134 1.00 12.30 C ATOM 209 CE2 PHE A 15 34.442 -23.119 -14.225 1.00 63.32 C ATOM 210 CZ PHE A 15 35.380 -23.840 -13.512 1.00 43.22 C ATOM 0 H PHE A 15 30.560 -20.473 -9.917 1.00 70.13 H new ATOM 0 HA PHE A 15 30.907 -22.619 -11.929 1.00 30.04 H new ATOM 0 HB2 PHE A 15 32.323 -20.495 -12.086 1.00 65.42 H new ATOM 0 HB3 PHE A 15 33.042 -20.950 -10.553 1.00 65.42 H new ATOM 0 HD1 PHE A 15 34.533 -22.886 -10.394 1.00 32.22 H new ATOM 0 HD2 PHE A 15 32.805 -21.755 -14.119 1.00 70.15 H new ATOM 0 HE1 PHE A 15 36.146 -24.315 -11.574 1.00 12.30 H new ATOM 0 HE2 PHE A 15 34.416 -23.183 -15.303 1.00 63.32 H new ATOM 0 HZ PHE A 15 36.087 -24.470 -14.031 1.00 43.22 H new ATOM 220 N GLY A 16 31.786 -24.328 -10.325 1.00 61.43 N ATOM 221 CA GLY A 16 32.065 -25.361 -9.345 1.00 32.32 C ATOM 222 C GLY A 16 31.188 -26.585 -9.526 1.00 44.42 C ATOM 223 O GLY A 16 30.940 -27.019 -10.651 1.00 40.12 O ATOM 0 H GLY A 16 31.776 -24.648 -11.294 1.00 61.43 H new ATOM 0 HA2 GLY A 16 33.112 -25.654 -9.419 1.00 32.32 H new ATOM 0 HA3 GLY A 16 31.917 -24.957 -8.344 1.00 32.32 H new ATOM 227 N LYS A 17 30.719 -27.144 -8.416 1.00 60.12 N ATOM 228 CA LYS A 17 29.865 -28.326 -8.456 1.00 44.51 C ATOM 229 C LYS A 17 28.393 -27.931 -8.512 1.00 60.25 C ATOM 230 O LYS A 17 27.566 -28.473 -7.779 1.00 24.14 O ATOM 231 CB LYS A 17 30.122 -29.207 -7.232 1.00 12.14 C ATOM 232 CG LYS A 17 29.522 -30.598 -7.347 1.00 0.42 C ATOM 233 CD LYS A 17 30.527 -31.595 -7.898 1.00 44.41 C ATOM 234 CE LYS A 17 30.165 -33.021 -7.515 1.00 21.32 C ATOM 235 NZ LYS A 17 30.775 -34.016 -8.440 1.00 70.01 N ATOM 0 H LYS A 17 30.916 -26.798 -7.477 1.00 60.12 H new ATOM 0 HA LYS A 17 30.106 -28.889 -9.358 1.00 44.51 H new ATOM 0 HB2 LYS A 17 31.197 -29.296 -7.078 1.00 12.14 H new ATOM 0 HB3 LYS A 17 29.713 -28.716 -6.349 1.00 12.14 H new ATOM 0 HG2 LYS A 17 29.179 -30.930 -6.367 1.00 0.42 H new ATOM 0 HG3 LYS A 17 28.647 -30.565 -7.996 1.00 0.42 H new ATOM 0 HD2 LYS A 17 30.569 -31.508 -8.984 1.00 44.41 H new ATOM 0 HD3 LYS A 17 31.521 -31.357 -7.520 1.00 44.41 H new ATOM 0 HE2 LYS A 17 30.499 -33.219 -6.497 1.00 21.32 H new ATOM 0 HE3 LYS A 17 29.081 -33.135 -7.523 1.00 21.32 H new ATOM 0 HZ1 LYS A 17 30.504 -34.976 -8.145 1.00 70.01 H new ATOM 0 HZ2 LYS A 17 30.437 -33.843 -9.408 1.00 70.01 H new ATOM 0 HZ3 LYS A 17 31.811 -33.925 -8.414 1.00 70.01 H new ATOM 249 N VAL A 18 28.071 -26.985 -9.389 1.00 64.32 N ATOM 250 CA VAL A 18 26.698 -26.521 -9.543 1.00 41.52 C ATOM 251 C VAL A 18 26.039 -27.148 -10.766 1.00 63.33 C ATOM 252 O VAL A 18 24.816 -27.270 -10.830 1.00 43.23 O ATOM 253 CB VAL A 18 26.635 -24.987 -9.670 1.00 45.24 C ATOM 254 CG1 VAL A 18 26.987 -24.326 -8.346 1.00 74.20 C ATOM 255 CG2 VAL A 18 27.562 -24.506 -10.777 1.00 74.24 C ATOM 0 H VAL A 18 28.743 -26.525 -10.003 1.00 64.32 H new ATOM 0 HA VAL A 18 26.159 -26.827 -8.647 1.00 41.52 H new ATOM 0 HB VAL A 18 25.615 -24.703 -9.931 1.00 45.24 H new ATOM 0 HG11 VAL A 18 26.937 -23.243 -8.456 1.00 74.20 H new ATOM 0 HG12 VAL A 18 26.280 -24.646 -7.580 1.00 74.20 H new ATOM 0 HG13 VAL A 18 27.996 -24.615 -8.052 1.00 74.20 H new ATOM 0 HG21 VAL A 18 27.505 -23.420 -10.853 1.00 74.24 H new ATOM 0 HG22 VAL A 18 28.586 -24.801 -10.548 1.00 74.24 H new ATOM 0 HG23 VAL A 18 27.260 -24.952 -11.724 1.00 74.24 H new ATOM 265 N GLN A 19 26.859 -27.546 -11.734 1.00 53.34 N ATOM 266 CA GLN A 19 26.355 -28.161 -12.956 1.00 73.34 C ATOM 267 C GLN A 19 25.945 -29.609 -12.708 1.00 31.14 C ATOM 268 O GLN A 19 26.720 -30.401 -12.173 1.00 70.14 O ATOM 269 CB GLN A 19 27.415 -28.101 -14.058 1.00 13.14 C ATOM 270 CG GLN A 19 28.654 -28.927 -13.755 1.00 3.02 C ATOM 271 CD GLN A 19 28.563 -30.338 -14.302 1.00 3.13 C ATOM 272 OE1 GLN A 19 27.854 -30.594 -15.275 1.00 31.30 O ATOM 273 NE2 GLN A 19 29.283 -31.263 -13.677 1.00 41.23 N ATOM 0 H GLN A 19 27.874 -27.454 -11.695 1.00 53.34 H new ATOM 0 HA GLN A 19 25.475 -27.603 -13.277 1.00 73.34 H new ATOM 0 HB2 GLN A 19 26.976 -28.450 -14.993 1.00 13.14 H new ATOM 0 HB3 GLN A 19 27.709 -27.063 -14.212 1.00 13.14 H new ATOM 0 HG2 GLN A 19 29.528 -28.433 -14.179 1.00 3.02 H new ATOM 0 HG3 GLN A 19 28.803 -28.969 -12.676 1.00 3.02 H new ATOM 0 HE21 GLN A 19 29.857 -31.006 -12.874 1.00 41.23 H new ATOM 0 HE22 GLN A 19 29.262 -32.230 -14.000 1.00 41.23 H new ATOM 282 N GLY A 20 24.720 -29.948 -13.099 1.00 10.04 N ATOM 283 CA GLY A 20 24.228 -31.300 -12.909 1.00 23.10 C ATOM 284 C GLY A 20 24.162 -31.693 -11.447 1.00 24.34 C ATOM 285 O GLY A 20 24.792 -32.665 -11.028 1.00 45.42 O ATOM 0 H GLY A 20 24.060 -29.310 -13.544 1.00 10.04 H new ATOM 0 HA2 GLY A 20 23.235 -31.387 -13.351 1.00 23.10 H new ATOM 0 HA3 GLY A 20 24.876 -31.997 -13.440 1.00 23.10 H new ATOM 289 N VAL A 21 23.398 -30.936 -10.666 1.00 24.04 N ATOM 290 CA VAL A 21 23.253 -31.210 -9.241 1.00 31.10 C ATOM 291 C VAL A 21 21.850 -30.864 -8.755 1.00 73.33 C ATOM 292 O VAL A 21 20.983 -30.488 -9.545 1.00 30.23 O ATOM 293 CB VAL A 21 24.281 -30.420 -8.410 1.00 22.35 C ATOM 294 CG1 VAL A 21 25.698 -30.805 -8.807 1.00 41.45 C ATOM 295 CG2 VAL A 21 24.060 -28.924 -8.572 1.00 3.04 C ATOM 0 H VAL A 21 22.870 -30.128 -10.996 1.00 24.04 H new ATOM 0 HA VAL A 21 23.429 -32.277 -9.104 1.00 31.10 H new ATOM 0 HB VAL A 21 24.143 -30.672 -7.359 1.00 22.35 H new ATOM 0 HG11 VAL A 21 26.410 -30.237 -8.209 1.00 41.45 H new ATOM 0 HG12 VAL A 21 25.848 -31.871 -8.634 1.00 41.45 H new ATOM 0 HG13 VAL A 21 25.853 -30.584 -9.863 1.00 41.45 H new ATOM 0 HG21 VAL A 21 24.795 -28.381 -7.978 1.00 3.04 H new ATOM 0 HG22 VAL A 21 24.169 -28.652 -9.622 1.00 3.04 H new ATOM 0 HG23 VAL A 21 23.057 -28.666 -8.233 1.00 3.04 H new ATOM 305 N PHE A 22 21.633 -30.994 -7.451 1.00 15.43 N ATOM 306 CA PHE A 22 20.334 -30.695 -6.859 1.00 33.23 C ATOM 307 C PHE A 22 20.226 -29.216 -6.501 1.00 52.44 C ATOM 308 O PHE A 22 19.920 -28.861 -5.363 1.00 1.03 O ATOM 309 CB PHE A 22 20.110 -31.551 -5.610 1.00 1.52 C ATOM 310 CG PHE A 22 20.251 -33.025 -5.860 1.00 0.21 C ATOM 311 CD1 PHE A 22 19.164 -33.778 -6.273 1.00 53.11 C ATOM 312 CD2 PHE A 22 21.471 -33.658 -5.682 1.00 52.45 C ATOM 313 CE1 PHE A 22 19.291 -35.135 -6.503 1.00 53.31 C ATOM 314 CE2 PHE A 22 21.604 -35.014 -5.911 1.00 71.24 C ATOM 315 CZ PHE A 22 20.512 -35.753 -6.323 1.00 64.53 C ATOM 0 H PHE A 22 22.339 -31.304 -6.784 1.00 15.43 H new ATOM 0 HA PHE A 22 19.565 -30.929 -7.595 1.00 33.23 H new ATOM 0 HB2 PHE A 22 20.822 -31.251 -4.841 1.00 1.52 H new ATOM 0 HB3 PHE A 22 19.113 -31.351 -5.216 1.00 1.52 H new ATOM 0 HD1 PHE A 22 18.207 -33.299 -6.417 1.00 53.11 H new ATOM 0 HD2 PHE A 22 22.328 -33.085 -5.360 1.00 52.45 H new ATOM 0 HE1 PHE A 22 18.436 -35.711 -6.823 1.00 53.31 H new ATOM 0 HE2 PHE A 22 22.560 -35.495 -5.768 1.00 71.24 H new ATOM 0 HZ PHE A 22 20.614 -36.813 -6.504 1.00 64.53 H new ATOM 325 N PHE A 23 20.480 -28.356 -7.483 1.00 32.23 N ATOM 326 CA PHE A 23 20.413 -26.915 -7.273 1.00 2.32 C ATOM 327 C PHE A 23 19.417 -26.271 -8.233 1.00 10.34 C ATOM 328 O PHE A 23 18.710 -25.330 -7.871 1.00 74.21 O ATOM 329 CB PHE A 23 21.796 -26.286 -7.458 1.00 20.51 C ATOM 330 CG PHE A 23 21.901 -24.894 -6.904 1.00 21.41 C ATOM 331 CD1 PHE A 23 21.416 -24.599 -5.640 1.00 21.21 C ATOM 332 CD2 PHE A 23 22.485 -23.881 -7.647 1.00 22.13 C ATOM 333 CE1 PHE A 23 21.511 -23.319 -5.128 1.00 51.22 C ATOM 334 CE2 PHE A 23 22.583 -22.599 -7.140 1.00 42.20 C ATOM 335 CZ PHE A 23 22.096 -22.318 -5.879 1.00 2.24 C ATOM 0 H PHE A 23 20.734 -28.633 -8.431 1.00 32.23 H new ATOM 0 HA PHE A 23 20.074 -26.737 -6.252 1.00 2.32 H new ATOM 0 HB2 PHE A 23 22.541 -26.918 -6.975 1.00 20.51 H new ATOM 0 HB3 PHE A 23 22.037 -26.265 -8.521 1.00 20.51 H new ATOM 0 HD1 PHE A 23 20.959 -25.378 -5.048 1.00 21.21 H new ATOM 0 HD2 PHE A 23 22.868 -24.096 -8.634 1.00 22.13 H new ATOM 0 HE1 PHE A 23 21.128 -23.101 -4.142 1.00 51.22 H new ATOM 0 HE2 PHE A 23 23.040 -21.818 -7.730 1.00 42.20 H new ATOM 0 HZ PHE A 23 22.172 -21.317 -5.480 1.00 2.24 H new ATOM 345 N ARG A 24 19.368 -26.784 -9.458 1.00 22.05 N ATOM 346 CA ARG A 24 18.461 -26.259 -10.470 1.00 52.35 C ATOM 347 C ARG A 24 17.018 -26.283 -9.974 1.00 23.35 C ATOM 348 O ARG A 24 16.188 -25.481 -10.402 1.00 64.34 O ATOM 349 CB ARG A 24 18.580 -27.069 -11.762 1.00 63.14 C ATOM 350 CG ARG A 24 17.547 -26.697 -12.813 1.00 11.41 C ATOM 351 CD ARG A 24 18.111 -26.826 -14.219 1.00 53.53 C ATOM 352 NE ARG A 24 17.455 -27.889 -14.976 1.00 43.44 N ATOM 353 CZ ARG A 24 17.763 -29.175 -14.854 1.00 63.04 C ATOM 354 NH1 ARG A 24 18.712 -29.556 -14.010 1.00 14.24 N ATOM 355 NH2 ARG A 24 17.122 -30.084 -15.578 1.00 52.40 N ATOM 0 H ARG A 24 19.946 -27.563 -9.773 1.00 22.05 H new ATOM 0 HA ARG A 24 18.741 -25.225 -10.670 1.00 52.35 H new ATOM 0 HB2 ARG A 24 19.577 -26.927 -12.179 1.00 63.14 H new ATOM 0 HB3 ARG A 24 18.481 -28.129 -11.527 1.00 63.14 H new ATOM 0 HG2 ARG A 24 16.673 -27.341 -12.710 1.00 11.41 H new ATOM 0 HG3 ARG A 24 17.210 -25.674 -12.647 1.00 11.41 H new ATOM 0 HD2 ARG A 24 17.992 -25.879 -14.746 1.00 53.53 H new ATOM 0 HD3 ARG A 24 19.181 -27.027 -14.163 1.00 53.53 H new ATOM 0 HE ARG A 24 16.720 -27.629 -15.634 1.00 43.44 H new ATOM 0 HH11 ARG A 24 19.208 -28.861 -13.452 1.00 14.24 H new ATOM 0 HH12 ARG A 24 18.946 -30.544 -13.918 1.00 14.24 H new ATOM 0 HH21 ARG A 24 16.392 -29.795 -16.229 1.00 52.40 H new ATOM 0 HH22 ARG A 24 17.360 -31.071 -15.483 1.00 52.40 H new ATOM 369 N LYS A 25 16.726 -27.210 -9.067 1.00 1.31 N ATOM 370 CA LYS A 25 15.385 -27.340 -8.510 1.00 51.21 C ATOM 371 C LYS A 25 15.166 -26.341 -7.378 1.00 43.34 C ATOM 372 O LYS A 25 14.166 -25.622 -7.356 1.00 23.45 O ATOM 373 CB LYS A 25 15.159 -28.764 -7.998 1.00 20.11 C ATOM 374 CG LYS A 25 13.766 -28.996 -7.439 1.00 11.44 C ATOM 375 CD LYS A 25 13.741 -30.166 -6.469 1.00 45.53 C ATOM 376 CE LYS A 25 12.453 -30.193 -5.662 1.00 31.42 C ATOM 377 NZ LYS A 25 12.645 -30.838 -4.333 1.00 74.53 N ATOM 0 H LYS A 25 17.401 -27.882 -8.702 1.00 1.31 H new ATOM 0 HA LYS A 25 14.668 -27.127 -9.303 1.00 51.21 H new ATOM 0 HB2 LYS A 25 15.336 -29.466 -8.813 1.00 20.11 H new ATOM 0 HB3 LYS A 25 15.893 -28.983 -7.223 1.00 20.11 H new ATOM 0 HG2 LYS A 25 13.422 -28.095 -6.932 1.00 11.44 H new ATOM 0 HG3 LYS A 25 13.072 -29.186 -8.257 1.00 11.44 H new ATOM 0 HD2 LYS A 25 13.845 -31.100 -7.021 1.00 45.53 H new ATOM 0 HD3 LYS A 25 14.594 -30.098 -5.793 1.00 45.53 H new ATOM 0 HE2 LYS A 25 12.090 -29.175 -5.523 1.00 31.42 H new ATOM 0 HE3 LYS A 25 11.686 -30.731 -6.219 1.00 31.42 H new ATOM 0 HZ1 LYS A 25 11.744 -30.837 -3.813 1.00 74.53 H new ATOM 0 HZ2 LYS A 25 12.967 -31.818 -4.466 1.00 74.53 H new ATOM 0 HZ3 LYS A 25 13.358 -30.310 -3.791 1.00 74.53 H new ATOM 391 N HIS A 26 16.108 -26.299 -6.442 1.00 24.05 N ATOM 392 CA HIS A 26 16.019 -25.386 -5.308 1.00 3.23 C ATOM 393 C HIS A 26 15.996 -23.935 -5.779 1.00 55.14 C ATOM 394 O HIS A 26 15.435 -23.063 -5.114 1.00 74.42 O ATOM 395 CB HIS A 26 17.195 -25.605 -4.355 1.00 71.42 C ATOM 396 CG HIS A 26 16.922 -26.624 -3.292 1.00 30.21 C ATOM 397 ND1 HIS A 26 17.908 -27.404 -2.726 1.00 4.24 N ATOM 398 CD2 HIS A 26 15.765 -26.988 -2.690 1.00 63.14 C ATOM 399 CE1 HIS A 26 17.370 -28.204 -1.823 1.00 70.31 C ATOM 400 NE2 HIS A 26 16.070 -27.972 -1.782 1.00 5.40 N ATOM 0 H HIS A 26 16.942 -26.886 -6.446 1.00 24.05 H new ATOM 0 HA HIS A 26 15.089 -25.594 -4.779 1.00 3.23 H new ATOM 0 HB2 HIS A 26 18.066 -25.917 -4.931 1.00 71.42 H new ATOM 0 HB3 HIS A 26 17.450 -24.657 -3.881 1.00 71.42 H new ATOM 0 HD2 HIS A 26 14.785 -26.580 -2.887 1.00 63.14 H new ATOM 0 HE1 HIS A 26 17.902 -28.925 -1.221 1.00 70.31 H new ATOM 0 HE2 HIS A 26 15.402 -28.446 -1.175 1.00 5.40 H new ATOM 408 N THR A 27 16.609 -23.682 -6.931 1.00 51.14 N ATOM 409 CA THR A 27 16.660 -22.337 -7.491 1.00 31.21 C ATOM 410 C THR A 27 15.311 -21.934 -8.076 1.00 44.31 C ATOM 411 O THR A 27 14.996 -20.748 -8.170 1.00 40.13 O ATOM 412 CB THR A 27 17.737 -22.225 -8.587 1.00 34.21 C ATOM 413 OG1 THR A 27 19.022 -22.547 -8.045 1.00 63.32 O ATOM 414 CG2 THR A 27 17.766 -20.823 -9.176 1.00 15.24 C ATOM 0 H THR A 27 17.077 -24.391 -7.495 1.00 51.14 H new ATOM 0 HA THR A 27 16.914 -21.663 -6.673 1.00 31.21 H new ATOM 0 HB THR A 27 17.491 -22.930 -9.381 1.00 34.21 H new ATOM 0 HG1 THR A 27 19.088 -23.516 -7.914 1.00 63.32 H new ATOM 0 HG21 THR A 27 18.534 -20.768 -9.947 1.00 15.24 H new ATOM 0 HG22 THR A 27 16.795 -20.592 -9.614 1.00 15.24 H new ATOM 0 HG23 THR A 27 17.990 -20.102 -8.389 1.00 15.24 H new ATOM 422 N GLN A 28 14.520 -22.927 -8.467 1.00 30.30 N ATOM 423 CA GLN A 28 13.205 -22.674 -9.043 1.00 73.11 C ATOM 424 C GLN A 28 12.225 -22.197 -7.976 1.00 24.24 C ATOM 425 O GLN A 28 11.653 -21.113 -8.084 1.00 61.24 O ATOM 426 CB GLN A 28 12.668 -23.938 -9.716 1.00 74.35 C ATOM 427 CG GLN A 28 11.310 -23.748 -10.374 1.00 44.41 C ATOM 428 CD GLN A 28 10.568 -25.055 -10.570 1.00 12.34 C ATOM 429 OE1 GLN A 28 10.684 -25.975 -9.760 1.00 62.21 O ATOM 430 NE2 GLN A 28 9.798 -25.143 -11.648 1.00 62.01 N ATOM 0 H GLN A 28 14.767 -23.914 -8.396 1.00 30.30 H new ATOM 0 HA GLN A 28 13.310 -21.888 -9.791 1.00 73.11 H new ATOM 0 HB2 GLN A 28 13.383 -24.271 -10.468 1.00 74.35 H new ATOM 0 HB3 GLN A 28 12.594 -24.732 -8.973 1.00 74.35 H new ATOM 0 HG2 GLN A 28 10.705 -23.079 -9.762 1.00 44.41 H new ATOM 0 HG3 GLN A 28 11.444 -23.262 -11.341 1.00 44.41 H new ATOM 0 HE21 GLN A 28 9.731 -24.356 -12.293 1.00 62.01 H new ATOM 0 HE22 GLN A 28 9.273 -25.998 -11.831 1.00 62.01 H new ATOM 439 N ALA A 29 12.037 -23.014 -6.945 1.00 24.44 N ATOM 440 CA ALA A 29 11.129 -22.675 -5.857 1.00 34.13 C ATOM 441 C ALA A 29 11.433 -21.289 -5.299 1.00 40.33 C ATOM 442 O ALA A 29 10.575 -20.407 -5.302 1.00 34.23 O ATOM 443 CB ALA A 29 11.213 -23.720 -4.754 1.00 15.34 C ATOM 0 H ALA A 29 12.502 -23.916 -6.841 1.00 24.44 H new ATOM 0 HA ALA A 29 10.114 -22.663 -6.255 1.00 34.13 H new ATOM 0 HB1 ALA A 29 10.529 -23.454 -3.948 1.00 15.34 H new ATOM 0 HB2 ALA A 29 10.938 -24.696 -5.155 1.00 15.34 H new ATOM 0 HB3 ALA A 29 12.231 -23.760 -4.368 1.00 15.34 H new ATOM 449 N GLU A 30 12.660 -21.104 -4.822 1.00 31.22 N ATOM 450 CA GLU A 30 13.076 -19.825 -4.260 1.00 14.53 C ATOM 451 C GLU A 30 13.072 -18.734 -5.328 1.00 22.45 C ATOM 452 O GLU A 30 12.907 -17.554 -5.024 1.00 45.41 O ATOM 453 CB GLU A 30 14.470 -19.943 -3.641 1.00 11.03 C ATOM 454 CG GLU A 30 14.534 -20.901 -2.463 1.00 14.43 C ATOM 455 CD GLU A 30 13.608 -20.497 -1.332 1.00 13.31 C ATOM 456 OE1 GLU A 30 13.460 -19.280 -1.093 1.00 54.32 O ATOM 457 OE2 GLU A 30 13.032 -21.397 -0.686 1.00 13.43 O ATOM 0 H GLU A 30 13.383 -21.824 -4.814 1.00 31.22 H new ATOM 0 HA GLU A 30 12.364 -19.551 -3.482 1.00 14.53 H new ATOM 0 HB2 GLU A 30 15.171 -20.275 -4.407 1.00 11.03 H new ATOM 0 HB3 GLU A 30 14.798 -18.956 -3.314 1.00 11.03 H new ATOM 0 HG2 GLU A 30 14.273 -21.904 -2.801 1.00 14.43 H new ATOM 0 HG3 GLU A 30 15.558 -20.946 -2.091 1.00 14.43 H new ATOM 464 N GLY A 31 13.256 -19.140 -6.580 1.00 70.53 N ATOM 465 CA GLY A 31 13.271 -18.187 -7.674 1.00 65.24 C ATOM 466 C GLY A 31 11.974 -17.411 -7.785 1.00 44.42 C ATOM 467 O GLY A 31 11.930 -16.347 -8.403 1.00 15.52 O ATOM 0 H GLY A 31 13.395 -20.112 -6.856 1.00 70.53 H new ATOM 0 HA2 GLY A 31 14.097 -17.490 -7.533 1.00 65.24 H new ATOM 0 HA3 GLY A 31 13.456 -18.715 -8.609 1.00 65.24 H new ATOM 471 N LYS A 32 10.915 -17.944 -7.187 1.00 14.33 N ATOM 472 CA LYS A 32 9.609 -17.295 -7.220 1.00 43.25 C ATOM 473 C LYS A 32 9.215 -16.793 -5.835 1.00 21.10 C ATOM 474 O LYS A 32 8.438 -15.847 -5.704 1.00 33.54 O ATOM 475 CB LYS A 32 8.548 -18.265 -7.744 1.00 70.02 C ATOM 476 CG LYS A 32 7.128 -17.744 -7.607 1.00 73.54 C ATOM 477 CD LYS A 32 6.137 -18.624 -8.352 1.00 43.12 C ATOM 478 CE LYS A 32 6.011 -18.210 -9.810 1.00 41.13 C ATOM 479 NZ LYS A 32 5.149 -17.006 -9.973 1.00 23.44 N ATOM 0 H LYS A 32 10.935 -18.825 -6.673 1.00 14.33 H new ATOM 0 HA LYS A 32 9.674 -16.439 -7.892 1.00 43.25 H new ATOM 0 HB2 LYS A 32 8.749 -18.477 -8.794 1.00 70.02 H new ATOM 0 HB3 LYS A 32 8.633 -19.209 -7.206 1.00 70.02 H new ATOM 0 HG2 LYS A 32 6.856 -17.700 -6.552 1.00 73.54 H new ATOM 0 HG3 LYS A 32 7.074 -16.726 -7.993 1.00 73.54 H new ATOM 0 HD2 LYS A 32 6.457 -19.664 -8.294 1.00 43.12 H new ATOM 0 HD3 LYS A 32 5.161 -18.564 -7.870 1.00 43.12 H new ATOM 0 HE2 LYS A 32 7.002 -18.005 -10.216 1.00 41.13 H new ATOM 0 HE3 LYS A 32 5.594 -19.036 -10.387 1.00 41.13 H new ATOM 0 HZ1 LYS A 32 4.538 -17.127 -10.806 1.00 23.44 H new ATOM 0 HZ2 LYS A 32 4.559 -16.884 -9.125 1.00 23.44 H new ATOM 0 HZ3 LYS A 32 5.748 -16.165 -10.102 1.00 23.44 H new ATOM 493 N LYS A 33 9.757 -17.431 -4.803 1.00 62.23 N ATOM 494 CA LYS A 33 9.465 -17.049 -3.427 1.00 51.40 C ATOM 495 C LYS A 33 10.302 -15.844 -3.008 1.00 32.22 C ATOM 496 O LYS A 33 9.922 -15.095 -2.107 1.00 2.12 O ATOM 497 CB LYS A 33 9.732 -18.222 -2.482 1.00 31.30 C ATOM 498 CG LYS A 33 9.035 -18.092 -1.139 1.00 32.42 C ATOM 499 CD LYS A 33 9.738 -18.905 -0.065 1.00 1.04 C ATOM 500 CE LYS A 33 9.661 -20.396 -0.354 1.00 22.20 C ATOM 501 NZ LYS A 33 8.253 -20.877 -0.419 1.00 42.35 N ATOM 0 H LYS A 33 10.402 -18.216 -4.894 1.00 62.23 H new ATOM 0 HA LYS A 33 8.411 -16.776 -3.368 1.00 51.40 H new ATOM 0 HB2 LYS A 33 9.408 -19.145 -2.962 1.00 31.30 H new ATOM 0 HB3 LYS A 33 10.806 -18.308 -2.318 1.00 31.30 H new ATOM 0 HG2 LYS A 33 9.007 -17.043 -0.843 1.00 32.42 H new ATOM 0 HG3 LYS A 33 8.001 -18.425 -1.231 1.00 32.42 H new ATOM 0 HD2 LYS A 33 10.782 -18.599 -0.001 1.00 1.04 H new ATOM 0 HD3 LYS A 33 9.285 -18.697 0.905 1.00 1.04 H new ATOM 0 HE2 LYS A 33 10.161 -20.609 -1.299 1.00 22.20 H new ATOM 0 HE3 LYS A 33 10.197 -20.944 0.421 1.00 22.20 H new ATOM 0 HZ1 LYS A 33 8.237 -21.914 -0.345 1.00 42.35 H new ATOM 0 HZ2 LYS A 33 7.709 -20.466 0.366 1.00 42.35 H new ATOM 0 HZ3 LYS A 33 7.829 -20.587 -1.323 1.00 42.35 H new ATOM 515 N LEU A 34 11.441 -15.663 -3.667 1.00 13.31 N ATOM 516 CA LEU A 34 12.331 -14.548 -3.364 1.00 0.44 C ATOM 517 C LEU A 34 11.862 -13.272 -4.057 1.00 22.33 C ATOM 518 O LEU A 34 11.502 -12.295 -3.403 1.00 13.33 O ATOM 519 CB LEU A 34 13.761 -14.879 -3.794 1.00 30.32 C ATOM 520 CG LEU A 34 14.876 -14.203 -2.996 1.00 1.33 C ATOM 521 CD1 LEU A 34 14.807 -12.692 -3.157 1.00 62.15 C ATOM 522 CD2 LEU A 34 14.789 -14.588 -1.526 1.00 64.11 C ATOM 0 H LEU A 34 11.770 -16.274 -4.415 1.00 13.31 H new ATOM 0 HA LEU A 34 12.311 -14.383 -2.287 1.00 0.44 H new ATOM 0 HB2 LEU A 34 13.898 -15.958 -3.728 1.00 30.32 H new ATOM 0 HB3 LEU A 34 13.876 -14.606 -4.843 1.00 30.32 H new ATOM 0 HG LEU A 34 15.834 -14.547 -3.385 1.00 1.33 H new ATOM 0 HD11 LEU A 34 15.608 -12.228 -2.582 1.00 62.15 H new ATOM 0 HD12 LEU A 34 14.919 -12.433 -4.210 1.00 62.15 H new ATOM 0 HD13 LEU A 34 13.844 -12.331 -2.795 1.00 62.15 H new ATOM 0 HD21 LEU A 34 15.590 -14.098 -0.973 1.00 64.11 H new ATOM 0 HD22 LEU A 34 13.826 -14.274 -1.124 1.00 64.11 H new ATOM 0 HD23 LEU A 34 14.888 -15.669 -1.426 1.00 64.11 H new ATOM 534 N GLY A 35 11.868 -13.291 -5.386 1.00 51.13 N ATOM 535 CA GLY A 35 11.439 -12.131 -6.146 1.00 62.32 C ATOM 536 C GLY A 35 10.081 -12.330 -6.790 1.00 2.41 C ATOM 537 O GLY A 35 9.048 -12.139 -6.148 1.00 15.33 O ATOM 0 H GLY A 35 12.162 -14.088 -5.950 1.00 51.13 H new ATOM 0 HA2 GLY A 35 11.402 -11.263 -5.488 1.00 62.32 H new ATOM 0 HA3 GLY A 35 12.176 -11.914 -6.919 1.00 62.32 H new ATOM 541 N LEU A 36 10.082 -12.712 -8.062 1.00 75.00 N ATOM 542 CA LEU A 36 8.840 -12.935 -8.794 1.00 54.23 C ATOM 543 C LEU A 36 8.909 -14.226 -9.604 1.00 12.14 C ATOM 544 O LEU A 36 8.284 -15.226 -9.251 1.00 70.30 O ATOM 545 CB LEU A 36 8.552 -11.753 -9.722 1.00 4.12 C ATOM 546 CG LEU A 36 7.641 -10.663 -9.157 1.00 55.14 C ATOM 547 CD1 LEU A 36 6.284 -11.241 -8.787 1.00 33.23 C ATOM 548 CD2 LEU A 36 8.287 -9.999 -7.950 1.00 40.14 C ATOM 0 H LEU A 36 10.928 -12.874 -8.608 1.00 75.00 H new ATOM 0 HA LEU A 36 8.032 -13.025 -8.069 1.00 54.23 H new ATOM 0 HB2 LEU A 36 9.502 -11.296 -10.001 1.00 4.12 H new ATOM 0 HB3 LEU A 36 8.101 -12.137 -10.637 1.00 4.12 H new ATOM 0 HG LEU A 36 7.493 -9.905 -9.927 1.00 55.14 H new ATOM 0 HD11 LEU A 36 5.649 -10.451 -8.387 1.00 33.23 H new ATOM 0 HD12 LEU A 36 5.816 -11.668 -9.674 1.00 33.23 H new ATOM 0 HD13 LEU A 36 6.413 -12.019 -8.035 1.00 33.23 H new ATOM 0 HD21 LEU A 36 7.624 -9.226 -7.562 1.00 40.14 H new ATOM 0 HD22 LEU A 36 8.466 -10.746 -7.176 1.00 40.14 H new ATOM 0 HD23 LEU A 36 9.235 -9.549 -8.246 1.00 40.14 H new ATOM 560 N VAL A 37 9.675 -14.197 -10.690 1.00 34.22 N ATOM 561 CA VAL A 37 9.829 -15.366 -11.548 1.00 13.13 C ATOM 562 C VAL A 37 11.231 -15.431 -12.142 1.00 3.34 C ATOM 563 O VAL A 37 12.089 -14.606 -11.827 1.00 74.32 O ATOM 564 CB VAL A 37 8.798 -15.362 -12.692 1.00 41.34 C ATOM 565 CG1 VAL A 37 7.383 -15.431 -12.138 1.00 5.42 C ATOM 566 CG2 VAL A 37 8.978 -14.129 -13.566 1.00 33.22 C ATOM 0 H VAL A 37 10.198 -13.377 -10.996 1.00 34.22 H new ATOM 0 HA VAL A 37 9.662 -16.242 -10.922 1.00 13.13 H new ATOM 0 HB VAL A 37 8.963 -16.245 -13.309 1.00 41.34 H new ATOM 0 HG11 VAL A 37 6.669 -15.427 -12.962 1.00 5.42 H new ATOM 0 HG12 VAL A 37 7.263 -16.346 -11.558 1.00 5.42 H new ATOM 0 HG13 VAL A 37 7.201 -14.569 -11.496 1.00 5.42 H new ATOM 0 HG21 VAL A 37 8.242 -14.142 -14.369 1.00 33.22 H new ATOM 0 HG22 VAL A 37 8.841 -13.232 -12.962 1.00 33.22 H new ATOM 0 HG23 VAL A 37 9.981 -14.129 -13.993 1.00 33.22 H new ATOM 576 N GLY A 38 11.458 -16.417 -13.004 1.00 23.44 N ATOM 577 CA GLY A 38 12.759 -16.572 -13.629 1.00 12.33 C ATOM 578 C GLY A 38 12.893 -17.887 -14.370 1.00 25.23 C ATOM 579 O GLY A 38 11.902 -18.449 -14.836 1.00 42.52 O ATOM 0 H GLY A 38 10.764 -17.112 -13.281 1.00 23.44 H new ATOM 0 HA2 GLY A 38 12.925 -15.749 -14.324 1.00 12.33 H new ATOM 0 HA3 GLY A 38 13.535 -16.508 -12.866 1.00 12.33 H new ATOM 583 N TRP A 39 14.122 -18.379 -14.480 1.00 1.12 N ATOM 584 CA TRP A 39 14.383 -19.636 -15.172 1.00 32.35 C ATOM 585 C TRP A 39 15.843 -20.048 -15.021 1.00 30.25 C ATOM 586 O TRP A 39 16.730 -19.200 -14.922 1.00 63.42 O ATOM 587 CB TRP A 39 14.026 -19.510 -16.654 1.00 22.34 C ATOM 588 CG TRP A 39 14.985 -18.654 -17.425 1.00 30.35 C ATOM 589 CD1 TRP A 39 16.191 -19.035 -17.941 1.00 12.24 C ATOM 590 CD2 TRP A 39 14.819 -17.273 -17.764 1.00 74.54 C ATOM 591 NE1 TRP A 39 16.784 -17.973 -18.581 1.00 21.52 N ATOM 592 CE2 TRP A 39 15.962 -16.882 -18.488 1.00 1.33 C ATOM 593 CE3 TRP A 39 13.814 -16.331 -17.530 1.00 42.50 C ATOM 594 CZ2 TRP A 39 16.127 -15.588 -18.976 1.00 32.23 C ATOM 595 CZ3 TRP A 39 13.979 -15.047 -18.015 1.00 24.12 C ATOM 596 CH2 TRP A 39 15.128 -14.685 -18.732 1.00 31.45 C ATOM 0 H TRP A 39 14.953 -17.927 -14.099 1.00 1.12 H new ATOM 0 HA TRP A 39 13.759 -20.407 -14.720 1.00 32.35 H new ATOM 0 HB2 TRP A 39 13.998 -20.504 -17.100 1.00 22.34 H new ATOM 0 HB3 TRP A 39 13.023 -19.092 -16.745 1.00 22.34 H new ATOM 0 HD1 TRP A 39 16.616 -20.025 -17.858 1.00 12.24 H new ATOM 0 HE1 TRP A 39 17.690 -17.994 -19.049 1.00 21.52 H new ATOM 0 HE3 TRP A 39 12.924 -16.601 -16.980 1.00 42.50 H new ATOM 0 HZ2 TRP A 39 17.012 -15.307 -19.527 1.00 32.23 H new ATOM 0 HZ3 TRP A 39 13.209 -14.310 -17.838 1.00 24.12 H new ATOM 0 HH2 TRP A 39 15.227 -13.674 -19.099 1.00 31.45 H new ATOM 607 N VAL A 40 16.086 -21.355 -15.003 1.00 42.11 N ATOM 608 CA VAL A 40 17.440 -21.879 -14.865 1.00 52.24 C ATOM 609 C VAL A 40 17.841 -22.693 -16.090 1.00 42.02 C ATOM 610 O VAL A 40 17.096 -23.562 -16.541 1.00 33.34 O ATOM 611 CB VAL A 40 17.575 -22.760 -13.610 1.00 25.34 C ATOM 612 CG1 VAL A 40 19.030 -23.139 -13.378 1.00 22.43 C ATOM 613 CG2 VAL A 40 17.001 -22.048 -12.394 1.00 44.44 C ATOM 0 H VAL A 40 15.363 -22.070 -15.082 1.00 42.11 H new ATOM 0 HA VAL A 40 18.104 -21.020 -14.770 1.00 52.24 H new ATOM 0 HB VAL A 40 17.006 -23.676 -13.768 1.00 25.34 H new ATOM 0 HG11 VAL A 40 19.106 -23.762 -12.487 1.00 22.43 H new ATOM 0 HG12 VAL A 40 19.404 -23.692 -14.240 1.00 22.43 H new ATOM 0 HG13 VAL A 40 19.624 -22.235 -13.241 1.00 22.43 H new ATOM 0 HG21 VAL A 40 17.105 -22.686 -11.516 1.00 44.44 H new ATOM 0 HG22 VAL A 40 17.540 -21.115 -12.231 1.00 44.44 H new ATOM 0 HG23 VAL A 40 15.946 -21.833 -12.563 1.00 44.44 H new ATOM 623 N GLN A 41 19.024 -22.405 -16.624 1.00 20.03 N ATOM 624 CA GLN A 41 19.524 -23.111 -17.797 1.00 64.03 C ATOM 625 C GLN A 41 20.793 -23.889 -17.465 1.00 23.04 C ATOM 626 O GLN A 41 21.725 -23.350 -16.870 1.00 45.21 O ATOM 627 CB GLN A 41 19.800 -22.124 -18.933 1.00 60.31 C ATOM 628 CG GLN A 41 19.640 -22.730 -20.318 1.00 34.50 C ATOM 629 CD GLN A 41 20.872 -23.490 -20.769 1.00 34.12 C ATOM 630 OE1 GLN A 41 21.983 -23.221 -20.312 1.00 51.30 O ATOM 631 NE2 GLN A 41 20.681 -24.446 -21.670 1.00 71.41 N ATOM 0 H GLN A 41 19.653 -21.688 -16.263 1.00 20.03 H new ATOM 0 HA GLN A 41 18.759 -23.819 -18.117 1.00 64.03 H new ATOM 0 HB2 GLN A 41 19.124 -21.274 -18.837 1.00 60.31 H new ATOM 0 HB3 GLN A 41 20.814 -21.738 -18.829 1.00 60.31 H new ATOM 0 HG2 GLN A 41 18.782 -23.403 -20.319 1.00 34.50 H new ATOM 0 HG3 GLN A 41 19.424 -21.937 -21.034 1.00 34.50 H new ATOM 0 HE21 GLN A 41 19.742 -24.635 -22.022 1.00 71.41 H new ATOM 0 HE22 GLN A 41 21.473 -24.991 -22.011 1.00 71.41 H new ATOM 640 N ASN A 42 20.821 -25.160 -17.852 1.00 71.11 N ATOM 641 CA ASN A 42 21.975 -26.013 -17.594 1.00 4.11 C ATOM 642 C ASN A 42 22.803 -26.206 -18.861 1.00 20.41 C ATOM 643 O ASN A 42 22.321 -26.752 -19.854 1.00 51.02 O ATOM 644 CB ASN A 42 21.522 -27.371 -17.055 1.00 71.31 C ATOM 645 CG ASN A 42 22.644 -28.392 -17.042 1.00 54.20 C ATOM 646 OD1 ASN A 42 22.462 -29.536 -17.459 1.00 51.20 O ATOM 647 ND2 ASN A 42 23.811 -27.981 -16.561 1.00 64.14 N ATOM 0 H ASN A 42 20.057 -25.622 -18.346 1.00 71.11 H new ATOM 0 HA ASN A 42 22.598 -25.523 -16.846 1.00 4.11 H new ATOM 0 HB2 ASN A 42 21.136 -27.247 -16.043 1.00 71.31 H new ATOM 0 HB3 ASN A 42 20.701 -27.746 -17.666 1.00 71.31 H new ATOM 0 HD21 ASN A 42 24.603 -28.623 -16.526 1.00 64.14 H new ATOM 0 HD22 ASN A 42 23.916 -27.023 -16.226 1.00 64.14 H new ATOM 654 N THR A 43 24.053 -25.756 -18.819 1.00 42.13 N ATOM 655 CA THR A 43 24.948 -25.879 -19.963 1.00 2.51 C ATOM 656 C THR A 43 25.547 -27.278 -20.045 1.00 74.12 C ATOM 657 O THR A 43 25.546 -28.023 -19.065 1.00 13.43 O ATOM 658 CB THR A 43 26.090 -24.847 -19.895 1.00 64.34 C ATOM 659 OG1 THR A 43 27.030 -25.222 -18.882 1.00 31.50 O ATOM 660 CG2 THR A 43 25.548 -23.457 -19.601 1.00 54.02 C ATOM 0 H THR A 43 24.469 -25.303 -18.005 1.00 42.13 H new ATOM 0 HA THR A 43 24.350 -25.691 -20.854 1.00 2.51 H new ATOM 0 HB THR A 43 26.589 -24.827 -20.864 1.00 64.34 H new ATOM 0 HG1 THR A 43 26.715 -24.905 -18.010 1.00 31.50 H new ATOM 0 HG21 THR A 43 26.373 -22.746 -19.558 1.00 54.02 H new ATOM 0 HG22 THR A 43 24.856 -23.162 -20.390 1.00 54.02 H new ATOM 0 HG23 THR A 43 25.026 -23.465 -18.644 1.00 54.02 H new ATOM 668 N ASP A 44 26.057 -27.630 -21.220 1.00 44.20 N ATOM 669 CA ASP A 44 26.661 -28.941 -21.430 1.00 3.54 C ATOM 670 C ASP A 44 28.180 -28.865 -21.309 1.00 41.40 C ATOM 671 O ASP A 44 28.900 -29.672 -21.896 1.00 44.04 O ATOM 672 CB ASP A 44 26.273 -29.491 -22.803 1.00 2.31 C ATOM 673 CG ASP A 44 24.812 -29.888 -22.876 1.00 11.33 C ATOM 674 OD1 ASP A 44 24.234 -30.218 -21.819 1.00 70.13 O ATOM 675 OD2 ASP A 44 24.246 -29.869 -23.989 1.00 42.12 O ATOM 0 H ASP A 44 26.064 -27.026 -22.042 1.00 44.20 H new ATOM 0 HA ASP A 44 26.286 -29.614 -20.659 1.00 3.54 H new ATOM 0 HB2 ASP A 44 26.481 -28.739 -23.564 1.00 2.31 H new ATOM 0 HB3 ASP A 44 26.894 -30.357 -23.033 1.00 2.31 H new ATOM 680 N ARG A 45 28.660 -27.889 -20.545 1.00 11.22 N ATOM 681 CA ARG A 45 30.093 -27.706 -20.349 1.00 60.12 C ATOM 682 C ARG A 45 30.480 -27.958 -18.895 1.00 13.23 C ATOM 683 O ARG A 45 31.170 -28.927 -18.584 1.00 62.42 O ATOM 684 CB ARG A 45 30.510 -26.293 -20.762 1.00 35.04 C ATOM 685 CG ARG A 45 32.015 -26.098 -20.833 1.00 22.31 C ATOM 686 CD ARG A 45 32.390 -25.017 -21.834 1.00 3.31 C ATOM 687 NE ARG A 45 33.733 -24.494 -21.597 1.00 0.50 N ATOM 688 CZ ARG A 45 34.211 -23.402 -22.185 1.00 32.24 C ATOM 689 NH1 ARG A 45 33.459 -22.722 -23.039 1.00 71.21 N ATOM 690 NH2 ARG A 45 35.443 -22.989 -21.918 1.00 1.24 N ATOM 0 H ARG A 45 28.077 -27.213 -20.052 1.00 11.22 H new ATOM 0 HA ARG A 45 30.615 -28.429 -20.976 1.00 60.12 H new ATOM 0 HB2 ARG A 45 30.076 -26.066 -21.736 1.00 35.04 H new ATOM 0 HB3 ARG A 45 30.093 -25.578 -20.053 1.00 35.04 H new ATOM 0 HG2 ARG A 45 32.395 -25.830 -19.847 1.00 22.31 H new ATOM 0 HG3 ARG A 45 32.492 -27.037 -21.114 1.00 22.31 H new ATOM 0 HD2 ARG A 45 32.332 -25.422 -22.844 1.00 3.31 H new ATOM 0 HD3 ARG A 45 31.668 -24.202 -21.775 1.00 3.31 H new ATOM 0 HE ARG A 45 34.337 -24.994 -20.945 1.00 0.50 H new ATOM 0 HH11 ARG A 45 32.511 -23.036 -23.246 1.00 71.21 H new ATOM 0 HH12 ARG A 45 33.828 -21.884 -23.489 1.00 71.21 H new ATOM 0 HH21 ARG A 45 36.024 -23.510 -21.261 1.00 1.24 H new ATOM 0 HH22 ARG A 45 35.809 -22.151 -22.370 1.00 1.24 H new ATOM 704 N GLY A 46 30.029 -27.076 -18.007 1.00 23.42 N ATOM 705 CA GLY A 46 30.339 -27.220 -16.596 1.00 73.33 C ATOM 706 C GLY A 46 29.977 -25.986 -15.795 1.00 3.44 C ATOM 707 O GLY A 46 30.735 -25.557 -14.924 1.00 4.21 O ATOM 0 H GLY A 46 29.455 -26.265 -18.239 1.00 23.42 H new ATOM 0 HA2 GLY A 46 29.803 -28.080 -16.195 1.00 73.33 H new ATOM 0 HA3 GLY A 46 31.403 -27.426 -16.480 1.00 73.33 H new ATOM 711 N THR A 47 28.816 -25.410 -16.089 1.00 13.32 N ATOM 712 CA THR A 47 28.356 -24.215 -15.391 1.00 65.24 C ATOM 713 C THR A 47 26.845 -24.059 -15.506 1.00 55.32 C ATOM 714 O THR A 47 26.237 -24.496 -16.484 1.00 44.40 O ATOM 715 CB THR A 47 29.036 -22.947 -15.942 1.00 73.11 C ATOM 716 OG1 THR A 47 29.281 -23.093 -17.345 1.00 52.44 O ATOM 717 CG2 THR A 47 30.346 -22.678 -15.218 1.00 45.35 C ATOM 0 H THR A 47 28.176 -25.752 -16.806 1.00 13.32 H new ATOM 0 HA THR A 47 28.626 -24.337 -14.342 1.00 65.24 H new ATOM 0 HB THR A 47 28.368 -22.102 -15.777 1.00 73.11 H new ATOM 0 HG1 THR A 47 29.712 -22.282 -17.688 1.00 52.44 H new ATOM 0 HG21 THR A 47 30.808 -21.778 -15.624 1.00 45.35 H new ATOM 0 HG22 THR A 47 30.152 -22.538 -14.155 1.00 45.35 H new ATOM 0 HG23 THR A 47 31.018 -23.525 -15.356 1.00 45.35 H new ATOM 725 N VAL A 48 26.241 -23.432 -14.501 1.00 41.22 N ATOM 726 CA VAL A 48 24.799 -23.216 -14.491 1.00 2.15 C ATOM 727 C VAL A 48 24.463 -21.739 -14.665 1.00 4.04 C ATOM 728 O VAL A 48 24.820 -20.909 -13.829 1.00 31.24 O ATOM 729 CB VAL A 48 24.165 -23.724 -13.182 1.00 62.41 C ATOM 730 CG1 VAL A 48 22.667 -23.464 -13.178 1.00 54.13 C ATOM 731 CG2 VAL A 48 24.458 -25.205 -12.989 1.00 11.40 C ATOM 0 H VAL A 48 26.728 -23.065 -13.683 1.00 41.22 H new ATOM 0 HA VAL A 48 24.389 -23.780 -15.329 1.00 2.15 H new ATOM 0 HB VAL A 48 24.606 -23.177 -12.349 1.00 62.41 H new ATOM 0 HG11 VAL A 48 22.237 -23.830 -12.246 1.00 54.13 H new ATOM 0 HG12 VAL A 48 22.483 -22.393 -13.267 1.00 54.13 H new ATOM 0 HG13 VAL A 48 22.205 -23.982 -14.018 1.00 54.13 H new ATOM 0 HG21 VAL A 48 24.003 -25.548 -12.060 1.00 11.40 H new ATOM 0 HG22 VAL A 48 24.045 -25.770 -13.825 1.00 11.40 H new ATOM 0 HG23 VAL A 48 25.536 -25.360 -12.944 1.00 11.40 H new ATOM 741 N GLN A 49 23.775 -21.419 -15.756 1.00 3.13 N ATOM 742 CA GLN A 49 23.391 -20.041 -16.039 1.00 65.13 C ATOM 743 C GLN A 49 21.885 -19.854 -15.890 1.00 42.14 C ATOM 744 O GLN A 49 21.097 -20.586 -16.487 1.00 54.32 O ATOM 745 CB GLN A 49 23.829 -19.648 -17.451 1.00 41.13 C ATOM 746 CG GLN A 49 23.151 -20.456 -18.546 1.00 32.13 C ATOM 747 CD GLN A 49 23.715 -20.164 -19.922 1.00 4.00 C ATOM 748 OE1 GLN A 49 24.128 -21.074 -20.642 1.00 51.53 O ATOM 749 NE2 GLN A 49 23.737 -18.890 -20.295 1.00 54.22 N ATOM 0 H GLN A 49 23.472 -22.094 -16.458 1.00 3.13 H new ATOM 0 HA GLN A 49 23.891 -19.395 -15.318 1.00 65.13 H new ATOM 0 HB2 GLN A 49 23.617 -18.590 -17.607 1.00 41.13 H new ATOM 0 HB3 GLN A 49 24.909 -19.772 -17.535 1.00 41.13 H new ATOM 0 HG2 GLN A 49 23.263 -21.519 -18.330 1.00 32.13 H new ATOM 0 HG3 GLN A 49 22.083 -20.240 -18.542 1.00 32.13 H new ATOM 0 HE21 GLN A 49 23.384 -18.168 -19.666 1.00 54.22 H new ATOM 0 HE22 GLN A 49 24.106 -18.633 -21.210 1.00 54.22 H new ATOM 758 N GLY A 50 21.492 -18.868 -15.089 1.00 65.21 N ATOM 759 CA GLY A 50 20.082 -18.603 -14.876 1.00 33.12 C ATOM 760 C GLY A 50 19.728 -17.144 -15.082 1.00 44.51 C ATOM 761 O GLY A 50 20.507 -16.386 -15.660 1.00 62.35 O ATOM 0 H GLY A 50 22.126 -18.248 -14.584 1.00 65.21 H new ATOM 0 HA2 GLY A 50 19.493 -19.216 -15.558 1.00 33.12 H new ATOM 0 HA3 GLY A 50 19.809 -18.900 -13.864 1.00 33.12 H new ATOM 765 N GLN A 51 18.550 -16.749 -14.610 1.00 4.14 N ATOM 766 CA GLN A 51 18.095 -15.371 -14.748 1.00 43.41 C ATOM 767 C GLN A 51 16.986 -15.060 -13.748 1.00 25.41 C ATOM 768 O GLN A 51 16.070 -15.860 -13.553 1.00 52.15 O ATOM 769 CB GLN A 51 17.600 -15.116 -16.173 1.00 14.45 C ATOM 770 CG GLN A 51 17.732 -13.667 -16.613 1.00 4.43 C ATOM 771 CD GLN A 51 19.070 -13.375 -17.264 1.00 52.20 C ATOM 772 OE1 GLN A 51 19.797 -14.289 -17.652 1.00 23.53 O ATOM 773 NE2 GLN A 51 19.401 -12.095 -17.388 1.00 44.02 N ATOM 0 H GLN A 51 17.894 -17.364 -14.129 1.00 4.14 H new ATOM 0 HA GLN A 51 18.940 -14.714 -14.541 1.00 43.41 H new ATOM 0 HB2 GLN A 51 18.160 -15.749 -16.862 1.00 14.45 H new ATOM 0 HB3 GLN A 51 16.554 -15.415 -16.244 1.00 14.45 H new ATOM 0 HG2 GLN A 51 16.932 -13.430 -17.314 1.00 4.43 H new ATOM 0 HG3 GLN A 51 17.603 -13.015 -15.749 1.00 4.43 H new ATOM 0 HE21 GLN A 51 18.767 -11.370 -17.052 1.00 44.02 H new ATOM 0 HE22 GLN A 51 20.289 -11.837 -17.819 1.00 44.02 H new ATOM 782 N LEU A 52 17.076 -13.896 -13.116 1.00 10.45 N ATOM 783 CA LEU A 52 16.080 -13.479 -12.134 1.00 70.33 C ATOM 784 C LEU A 52 15.594 -12.062 -12.419 1.00 43.31 C ATOM 785 O LEU A 52 16.393 -11.131 -12.520 1.00 0.13 O ATOM 786 CB LEU A 52 16.663 -13.557 -10.722 1.00 41.32 C ATOM 787 CG LEU A 52 15.778 -13.013 -9.600 1.00 22.11 C ATOM 788 CD1 LEU A 52 14.483 -13.805 -9.511 1.00 13.52 C ATOM 789 CD2 LEU A 52 16.520 -13.049 -8.271 1.00 54.24 C ATOM 0 H LEU A 52 17.828 -13.223 -13.265 1.00 10.45 H new ATOM 0 HA LEU A 52 15.229 -14.156 -12.206 1.00 70.33 H new ATOM 0 HB2 LEU A 52 16.894 -14.600 -10.503 1.00 41.32 H new ATOM 0 HB3 LEU A 52 17.607 -13.012 -10.710 1.00 41.32 H new ATOM 0 HG LEU A 52 15.531 -11.976 -9.828 1.00 22.11 H new ATOM 0 HD11 LEU A 52 13.866 -13.404 -8.707 1.00 13.52 H new ATOM 0 HD12 LEU A 52 13.944 -13.728 -10.455 1.00 13.52 H new ATOM 0 HD13 LEU A 52 14.710 -14.851 -9.307 1.00 13.52 H new ATOM 0 HD21 LEU A 52 15.875 -12.658 -7.484 1.00 54.24 H new ATOM 0 HD22 LEU A 52 16.797 -14.077 -8.037 1.00 54.24 H new ATOM 0 HD23 LEU A 52 17.420 -12.438 -8.340 1.00 54.24 H new ATOM 801 N GLN A 53 14.280 -11.906 -12.546 1.00 25.11 N ATOM 802 CA GLN A 53 13.689 -10.601 -12.817 1.00 71.34 C ATOM 803 C GLN A 53 13.008 -10.042 -11.572 1.00 63.43 C ATOM 804 O GLN A 53 12.560 -10.794 -10.708 1.00 12.34 O ATOM 805 CB GLN A 53 12.680 -10.704 -13.962 1.00 54.23 C ATOM 806 CG GLN A 53 13.186 -11.506 -15.150 1.00 22.10 C ATOM 807 CD GLN A 53 12.593 -11.040 -16.465 1.00 1.21 C ATOM 808 OE1 GLN A 53 11.623 -10.282 -16.487 1.00 50.35 O ATOM 809 NE2 GLN A 53 13.174 -11.491 -17.570 1.00 64.41 N ATOM 0 H GLN A 53 13.605 -12.667 -12.466 1.00 25.11 H new ATOM 0 HA GLN A 53 14.490 -9.920 -13.107 1.00 71.34 H new ATOM 0 HB2 GLN A 53 11.765 -11.163 -13.588 1.00 54.23 H new ATOM 0 HB3 GLN A 53 12.420 -9.700 -14.297 1.00 54.23 H new ATOM 0 HG2 GLN A 53 14.272 -11.430 -15.199 1.00 22.10 H new ATOM 0 HG3 GLN A 53 12.947 -12.559 -15.001 1.00 22.10 H new ATOM 0 HE21 GLN A 53 13.976 -12.118 -17.505 1.00 64.41 H new ATOM 0 HE22 GLN A 53 12.818 -11.211 -18.484 1.00 64.41 H new ATOM 818 N GLY A 54 12.935 -8.717 -11.488 1.00 25.42 N ATOM 819 CA GLY A 54 12.309 -8.080 -10.344 1.00 74.35 C ATOM 820 C GLY A 54 12.928 -6.736 -10.018 1.00 40.10 C ATOM 821 O GLY A 54 13.871 -6.288 -10.671 1.00 11.12 O ATOM 0 H GLY A 54 13.298 -8.074 -12.191 1.00 25.42 H new ATOM 0 HA2 GLY A 54 11.245 -7.948 -10.543 1.00 74.35 H new ATOM 0 HA3 GLY A 54 12.392 -8.735 -9.477 1.00 74.35 H new ATOM 825 N PRO A 55 12.392 -6.068 -8.986 1.00 12.11 N ATOM 826 CA PRO A 55 12.882 -4.756 -8.552 1.00 32.35 C ATOM 827 C PRO A 55 14.262 -4.837 -7.909 1.00 3.10 C ATOM 828 O PRO A 55 14.692 -5.905 -7.472 1.00 43.11 O ATOM 829 CB PRO A 55 11.839 -4.311 -7.524 1.00 13.34 C ATOM 830 CG PRO A 55 11.249 -5.578 -7.009 1.00 35.11 C ATOM 831 CD PRO A 55 11.266 -6.542 -8.163 1.00 43.21 C ATOM 0 HA PRO A 55 12.998 -4.067 -9.388 1.00 32.35 H new ATOM 0 HB2 PRO A 55 12.296 -3.732 -6.721 1.00 13.34 H new ATOM 0 HB3 PRO A 55 11.079 -3.677 -7.981 1.00 13.34 H new ATOM 0 HG2 PRO A 55 11.827 -5.964 -6.169 1.00 35.11 H new ATOM 0 HG3 PRO A 55 10.233 -5.417 -6.650 1.00 35.11 H new ATOM 0 HD2 PRO A 55 11.417 -7.568 -7.828 1.00 43.21 H new ATOM 0 HD3 PRO A 55 10.327 -6.523 -8.717 1.00 43.21 H new ATOM 839 N ILE A 56 14.951 -3.702 -7.854 1.00 65.34 N ATOM 840 CA ILE A 56 16.283 -3.645 -7.263 1.00 73.44 C ATOM 841 C ILE A 56 16.266 -4.142 -5.822 1.00 30.41 C ATOM 842 O ILE A 56 17.270 -4.645 -5.316 1.00 15.51 O ATOM 843 CB ILE A 56 16.852 -2.215 -7.295 1.00 12.43 C ATOM 844 CG1 ILE A 56 18.322 -2.218 -6.871 1.00 41.12 C ATOM 845 CG2 ILE A 56 16.037 -1.301 -6.392 1.00 11.42 C ATOM 846 CD1 ILE A 56 19.097 -1.018 -7.369 1.00 12.44 C ATOM 0 H ILE A 56 14.609 -2.810 -8.211 1.00 65.34 H new ATOM 0 HA ILE A 56 16.922 -4.294 -7.861 1.00 73.44 H new ATOM 0 HB ILE A 56 16.788 -1.837 -8.315 1.00 12.43 H new ATOM 0 HG12 ILE A 56 18.378 -2.250 -5.783 1.00 41.12 H new ATOM 0 HG13 ILE A 56 18.797 -3.126 -7.242 1.00 41.12 H new ATOM 0 HG21 ILE A 56 16.451 -0.293 -6.425 1.00 11.42 H new ATOM 0 HG22 ILE A 56 15.002 -1.279 -6.735 1.00 11.42 H new ATOM 0 HG23 ILE A 56 16.073 -1.675 -5.369 1.00 11.42 H new ATOM 0 HD11 ILE A 56 20.131 -1.087 -7.031 1.00 12.44 H new ATOM 0 HD12 ILE A 56 19.072 -0.996 -8.458 1.00 12.44 H new ATOM 0 HD13 ILE A 56 18.647 -0.106 -6.977 1.00 12.44 H new ATOM 858 N SER A 57 15.119 -4.001 -5.166 1.00 54.41 N ATOM 859 CA SER A 57 14.971 -4.433 -3.781 1.00 60.44 C ATOM 860 C SER A 57 14.917 -5.955 -3.691 1.00 22.52 C ATOM 861 O SER A 57 15.231 -6.539 -2.653 1.00 60.33 O ATOM 862 CB SER A 57 13.706 -3.830 -3.168 1.00 41.32 C ATOM 863 OG SER A 57 12.568 -4.618 -3.468 1.00 75.21 O ATOM 0 H SER A 57 14.278 -3.591 -5.572 1.00 54.41 H new ATOM 0 HA SER A 57 15.839 -4.083 -3.222 1.00 60.44 H new ATOM 0 HB2 SER A 57 13.824 -3.752 -2.087 1.00 41.32 H new ATOM 0 HB3 SER A 57 13.562 -2.818 -3.547 1.00 41.32 H new ATOM 0 HG SER A 57 11.773 -4.212 -3.063 1.00 75.21 H new ATOM 869 N LYS A 58 14.517 -6.593 -4.786 1.00 33.14 N ATOM 870 CA LYS A 58 14.422 -8.047 -4.833 1.00 71.31 C ATOM 871 C LYS A 58 15.644 -8.650 -5.518 1.00 24.22 C ATOM 872 O LYS A 58 16.002 -9.802 -5.271 1.00 11.05 O ATOM 873 CB LYS A 58 13.150 -8.472 -5.570 1.00 71.23 C ATOM 874 CG LYS A 58 11.873 -8.164 -4.807 1.00 61.14 C ATOM 875 CD LYS A 58 11.620 -9.183 -3.709 1.00 60.32 C ATOM 876 CE LYS A 58 12.220 -8.736 -2.385 1.00 34.11 C ATOM 877 NZ LYS A 58 11.420 -9.216 -1.224 1.00 25.52 N ATOM 0 H LYS A 58 14.253 -6.125 -5.653 1.00 33.14 H new ATOM 0 HA LYS A 58 14.382 -8.417 -3.808 1.00 71.31 H new ATOM 0 HB2 LYS A 58 13.116 -7.970 -6.537 1.00 71.23 H new ATOM 0 HB3 LYS A 58 13.196 -9.543 -5.768 1.00 71.23 H new ATOM 0 HG2 LYS A 58 11.940 -7.167 -4.371 1.00 61.14 H new ATOM 0 HG3 LYS A 58 11.029 -8.154 -5.497 1.00 61.14 H new ATOM 0 HD2 LYS A 58 10.547 -9.333 -3.591 1.00 60.32 H new ATOM 0 HD3 LYS A 58 12.047 -10.144 -3.997 1.00 60.32 H new ATOM 0 HE2 LYS A 58 13.240 -9.111 -2.303 1.00 34.11 H new ATOM 0 HE3 LYS A 58 12.278 -7.648 -2.361 1.00 34.11 H new ATOM 0 HZ1 LYS A 58 11.861 -8.891 -0.340 1.00 25.52 H new ATOM 0 HZ2 LYS A 58 10.453 -8.837 -1.288 1.00 25.52 H new ATOM 0 HZ3 LYS A 58 11.386 -10.255 -1.232 1.00 25.52 H new ATOM 891 N VAL A 59 16.283 -7.864 -6.379 1.00 12.13 N ATOM 892 CA VAL A 59 17.467 -8.319 -7.097 1.00 70.50 C ATOM 893 C VAL A 59 18.711 -8.228 -6.220 1.00 52.33 C ATOM 894 O VAL A 59 19.697 -8.928 -6.449 1.00 31.41 O ATOM 895 CB VAL A 59 17.695 -7.499 -8.380 1.00 42.14 C ATOM 896 CG1 VAL A 59 18.929 -7.994 -9.119 1.00 24.33 C ATOM 897 CG2 VAL A 59 16.468 -7.560 -9.277 1.00 15.25 C ATOM 0 H VAL A 59 16.000 -6.908 -6.596 1.00 12.13 H new ATOM 0 HA VAL A 59 17.292 -9.361 -7.367 1.00 70.50 H new ATOM 0 HB VAL A 59 17.861 -6.459 -8.100 1.00 42.14 H new ATOM 0 HG11 VAL A 59 19.074 -7.402 -10.023 1.00 24.33 H new ATOM 0 HG12 VAL A 59 19.803 -7.893 -8.476 1.00 24.33 H new ATOM 0 HG13 VAL A 59 18.796 -9.042 -9.389 1.00 24.33 H new ATOM 0 HG21 VAL A 59 16.647 -6.975 -10.179 1.00 15.25 H new ATOM 0 HG22 VAL A 59 16.268 -8.596 -9.550 1.00 15.25 H new ATOM 0 HG23 VAL A 59 15.608 -7.153 -8.745 1.00 15.25 H new ATOM 907 N ARG A 60 18.657 -7.359 -5.216 1.00 21.44 N ATOM 908 CA ARG A 60 19.780 -7.175 -4.304 1.00 71.21 C ATOM 909 C ARG A 60 19.604 -8.022 -3.047 1.00 43.00 C ATOM 910 O ARG A 60 20.147 -7.701 -1.989 1.00 33.41 O ATOM 911 CB ARG A 60 19.918 -5.700 -3.923 1.00 63.11 C ATOM 912 CG ARG A 60 20.729 -4.887 -4.919 1.00 61.21 C ATOM 913 CD ARG A 60 22.216 -4.945 -4.606 1.00 40.00 C ATOM 914 NE ARG A 60 22.523 -4.373 -3.298 1.00 15.13 N ATOM 915 CZ ARG A 60 22.524 -3.068 -3.048 1.00 72.21 C ATOM 916 NH1 ARG A 60 22.236 -2.205 -4.013 1.00 31.14 N ATOM 917 NH2 ARG A 60 22.813 -2.624 -1.832 1.00 31.55 N ATOM 0 H ARG A 60 17.848 -6.772 -5.013 1.00 21.44 H new ATOM 0 HA ARG A 60 20.687 -7.498 -4.815 1.00 71.21 H new ATOM 0 HB2 ARG A 60 18.924 -5.262 -3.833 1.00 63.11 H new ATOM 0 HB3 ARG A 60 20.387 -5.629 -2.942 1.00 63.11 H new ATOM 0 HG2 ARG A 60 20.553 -5.264 -5.927 1.00 61.21 H new ATOM 0 HG3 ARG A 60 20.393 -3.850 -4.903 1.00 61.21 H new ATOM 0 HD2 ARG A 60 22.553 -5.981 -4.636 1.00 40.00 H new ATOM 0 HD3 ARG A 60 22.770 -4.407 -5.376 1.00 40.00 H new ATOM 0 HE ARG A 60 22.749 -5.010 -2.534 1.00 15.13 H new ATOM 0 HH11 ARG A 60 22.013 -2.543 -4.949 1.00 31.14 H new ATOM 0 HH12 ARG A 60 22.237 -1.204 -3.819 1.00 31.14 H new ATOM 0 HH21 ARG A 60 23.035 -3.285 -1.087 1.00 31.55 H new ATOM 0 HH22 ARG A 60 22.813 -1.622 -1.642 1.00 31.55 H new ATOM 931 N HIS A 61 18.842 -9.104 -3.170 1.00 64.34 N ATOM 932 CA HIS A 61 18.595 -9.998 -2.044 1.00 41.41 C ATOM 933 C HIS A 61 18.979 -11.432 -2.394 1.00 24.11 C ATOM 934 O HIS A 61 19.547 -12.151 -1.572 1.00 15.34 O ATOM 935 CB HIS A 61 17.124 -9.937 -1.632 1.00 20.53 C ATOM 936 CG HIS A 61 16.868 -10.451 -0.248 1.00 44.12 C ATOM 937 ND1 HIS A 61 17.454 -11.596 0.250 1.00 53.22 N ATOM 938 CD2 HIS A 61 16.086 -9.967 0.745 1.00 22.41 C ATOM 939 CE1 HIS A 61 17.041 -11.795 1.489 1.00 62.42 C ATOM 940 NE2 HIS A 61 16.211 -10.821 1.814 1.00 52.14 N ATOM 0 H HIS A 61 18.385 -9.383 -4.038 1.00 64.34 H new ATOM 0 HA HIS A 61 19.213 -9.670 -1.208 1.00 41.41 H new ATOM 0 HB2 HIS A 61 16.779 -8.905 -1.697 1.00 20.53 H new ATOM 0 HB3 HIS A 61 16.532 -10.516 -2.341 1.00 20.53 H new ATOM 0 HD1 HIS A 61 18.104 -12.195 -0.259 1.00 53.22 H new ATOM 0 HD2 HIS A 61 15.477 -9.076 0.705 1.00 22.41 H new ATOM 0 HE1 HIS A 61 17.333 -12.615 2.128 1.00 62.42 H new ATOM 948 N MET A 62 18.666 -11.842 -3.619 1.00 12.33 N ATOM 949 CA MET A 62 18.979 -13.190 -4.077 1.00 21.33 C ATOM 950 C MET A 62 20.458 -13.315 -4.431 1.00 14.44 C ATOM 951 O MET A 62 21.093 -14.325 -4.131 1.00 61.15 O ATOM 952 CB MET A 62 18.120 -13.552 -5.290 1.00 21.42 C ATOM 953 CG MET A 62 18.367 -14.959 -5.811 1.00 15.11 C ATOM 954 SD MET A 62 17.538 -16.220 -4.824 1.00 74.35 S ATOM 955 CE MET A 62 16.256 -16.749 -5.958 1.00 52.35 C ATOM 0 H MET A 62 18.196 -11.260 -4.312 1.00 12.33 H new ATOM 0 HA MET A 62 18.758 -13.883 -3.265 1.00 21.33 H new ATOM 0 HB2 MET A 62 17.068 -13.452 -5.023 1.00 21.42 H new ATOM 0 HB3 MET A 62 18.315 -12.838 -6.090 1.00 21.42 H new ATOM 0 HG2 MET A 62 18.022 -15.026 -6.843 1.00 15.11 H new ATOM 0 HG3 MET A 62 19.439 -15.156 -5.820 1.00 15.11 H new ATOM 0 HE1 MET A 62 15.656 -17.530 -5.490 1.00 52.35 H new ATOM 0 HE2 MET A 62 15.618 -15.901 -6.207 1.00 52.35 H new ATOM 0 HE3 MET A 62 16.713 -17.138 -6.868 1.00 52.35 H new ATOM 965 N GLN A 63 20.998 -12.281 -5.069 1.00 34.41 N ATOM 966 CA GLN A 63 22.401 -12.277 -5.464 1.00 2.02 C ATOM 967 C GLN A 63 23.311 -12.270 -4.240 1.00 21.11 C ATOM 968 O GLN A 63 24.441 -12.755 -4.293 1.00 33.34 O ATOM 969 CB GLN A 63 22.701 -11.062 -6.344 1.00 64.40 C ATOM 970 CG GLN A 63 22.684 -9.744 -5.588 1.00 5.13 C ATOM 971 CD GLN A 63 23.065 -8.565 -6.461 1.00 64.04 C ATOM 972 OE1 GLN A 63 23.917 -7.755 -6.094 1.00 61.13 O ATOM 973 NE2 GLN A 63 22.435 -8.463 -7.626 1.00 10.54 N ATOM 0 H GLN A 63 20.485 -11.436 -5.323 1.00 34.41 H new ATOM 0 HA GLN A 63 22.595 -13.186 -6.033 1.00 2.02 H new ATOM 0 HB2 GLN A 63 23.679 -11.192 -6.808 1.00 64.40 H new ATOM 0 HB3 GLN A 63 21.969 -11.018 -7.150 1.00 64.40 H new ATOM 0 HG2 GLN A 63 21.689 -9.579 -5.176 1.00 5.13 H new ATOM 0 HG3 GLN A 63 23.372 -9.804 -4.745 1.00 5.13 H new ATOM 0 HE21 GLN A 63 21.736 -9.157 -7.890 1.00 10.54 H new ATOM 0 HE22 GLN A 63 22.651 -7.691 -8.256 1.00 10.54 H new ATOM 982 N GLU A 64 22.811 -11.716 -3.140 1.00 32.53 N ATOM 983 CA GLU A 64 23.580 -11.646 -1.903 1.00 44.11 C ATOM 984 C GLU A 64 23.216 -12.796 -0.969 1.00 34.01 C ATOM 985 O GLU A 64 23.363 -12.691 0.249 1.00 54.22 O ATOM 986 CB GLU A 64 23.338 -10.308 -1.201 1.00 43.13 C ATOM 987 CG GLU A 64 21.887 -10.077 -0.816 1.00 11.33 C ATOM 988 CD GLU A 64 21.724 -8.965 0.202 1.00 12.41 C ATOM 989 OE1 GLU A 64 22.483 -7.976 0.127 1.00 65.13 O ATOM 990 OE2 GLU A 64 20.837 -9.083 1.074 1.00 44.54 O ATOM 0 H GLU A 64 21.877 -11.309 -3.080 1.00 32.53 H new ATOM 0 HA GLU A 64 24.637 -11.729 -2.158 1.00 44.11 H new ATOM 0 HB2 GLU A 64 23.955 -10.261 -0.304 1.00 43.13 H new ATOM 0 HB3 GLU A 64 23.665 -9.500 -1.855 1.00 43.13 H new ATOM 0 HG2 GLU A 64 21.312 -9.834 -1.710 1.00 11.33 H new ATOM 0 HG3 GLU A 64 21.471 -10.999 -0.411 1.00 11.33 H new ATOM 997 N TRP A 65 22.739 -13.892 -1.548 1.00 62.00 N ATOM 998 CA TRP A 65 22.352 -15.062 -0.768 1.00 25.12 C ATOM 999 C TRP A 65 23.065 -16.312 -1.272 1.00 21.23 C ATOM 1000 O TRP A 65 23.461 -17.173 -0.485 1.00 3.14 O ATOM 1001 CB TRP A 65 20.838 -15.264 -0.829 1.00 55.24 C ATOM 1002 CG TRP A 65 20.354 -16.397 0.024 1.00 11.34 C ATOM 1003 CD1 TRP A 65 20.377 -17.726 -0.288 1.00 25.15 C ATOM 1004 CD2 TRP A 65 19.773 -16.299 1.329 1.00 10.13 C ATOM 1005 NE1 TRP A 65 19.846 -18.461 0.745 1.00 2.31 N ATOM 1006 CE2 TRP A 65 19.469 -17.609 1.749 1.00 12.31 C ATOM 1007 CE3 TRP A 65 19.482 -15.233 2.185 1.00 42.02 C ATOM 1008 CZ2 TRP A 65 18.888 -17.878 2.985 1.00 13.34 C ATOM 1009 CZ3 TRP A 65 18.905 -15.502 3.411 1.00 1.44 C ATOM 1010 CH2 TRP A 65 18.614 -16.815 3.803 1.00 75.12 C ATOM 0 H TRP A 65 22.611 -13.995 -2.555 1.00 62.00 H new ATOM 0 HA TRP A 65 22.646 -14.891 0.267 1.00 25.12 H new ATOM 0 HB2 TRP A 65 20.343 -14.345 -0.514 1.00 55.24 H new ATOM 0 HB3 TRP A 65 20.545 -15.446 -1.863 1.00 55.24 H new ATOM 0 HD1 TRP A 65 20.757 -18.139 -1.211 1.00 25.15 H new ATOM 0 HE1 TRP A 65 19.749 -19.476 0.761 1.00 2.31 H new ATOM 0 HE3 TRP A 65 19.704 -14.217 1.893 1.00 42.02 H new ATOM 0 HZ2 TRP A 65 18.661 -18.890 3.288 1.00 13.34 H new ATOM 0 HZ3 TRP A 65 18.674 -14.685 4.079 1.00 1.44 H new ATOM 0 HH2 TRP A 65 18.165 -16.992 4.769 1.00 75.12 H new ATOM 1021 N LEU A 66 23.226 -16.407 -2.587 1.00 14.20 N ATOM 1022 CA LEU A 66 23.892 -17.553 -3.196 1.00 54.10 C ATOM 1023 C LEU A 66 25.407 -17.389 -3.152 1.00 4.33 C ATOM 1024 O LEU A 66 26.151 -18.319 -3.460 1.00 71.42 O ATOM 1025 CB LEU A 66 23.428 -17.727 -4.643 1.00 62.24 C ATOM 1026 CG LEU A 66 22.060 -18.382 -4.836 1.00 12.12 C ATOM 1027 CD1 LEU A 66 20.952 -17.452 -4.365 1.00 43.05 C ATOM 1028 CD2 LEU A 66 21.853 -18.766 -6.294 1.00 32.44 C ATOM 0 H LEU A 66 22.904 -15.704 -3.252 1.00 14.20 H new ATOM 0 HA LEU A 66 23.625 -18.443 -2.626 1.00 54.10 H new ATOM 0 HB2 LEU A 66 23.409 -16.746 -5.118 1.00 62.24 H new ATOM 0 HB3 LEU A 66 24.172 -18.323 -5.173 1.00 62.24 H new ATOM 0 HG LEU A 66 22.025 -19.290 -4.234 1.00 12.12 H new ATOM 0 HD11 LEU A 66 19.986 -17.935 -4.510 1.00 43.05 H new ATOM 0 HD12 LEU A 66 21.090 -17.227 -3.307 1.00 43.05 H new ATOM 0 HD13 LEU A 66 20.985 -16.526 -4.940 1.00 43.05 H new ATOM 0 HD21 LEU A 66 20.874 -19.231 -6.412 1.00 32.44 H new ATOM 0 HD22 LEU A 66 21.909 -17.873 -6.917 1.00 32.44 H new ATOM 0 HD23 LEU A 66 22.628 -19.470 -6.599 1.00 32.44 H new ATOM 1040 N GLU A 67 25.858 -16.200 -2.764 1.00 13.41 N ATOM 1041 CA GLU A 67 27.285 -15.915 -2.678 1.00 2.11 C ATOM 1042 C GLU A 67 27.787 -16.078 -1.246 1.00 63.32 C ATOM 1043 O GLU A 67 28.950 -15.801 -0.948 1.00 34.34 O ATOM 1044 CB GLU A 67 27.576 -14.497 -3.173 1.00 52.32 C ATOM 1045 CG GLU A 67 26.974 -13.411 -2.297 1.00 40.22 C ATOM 1046 CD GLU A 67 28.018 -12.457 -1.750 1.00 43.14 C ATOM 1047 OE1 GLU A 67 29.150 -12.909 -1.476 1.00 54.40 O ATOM 1048 OE2 GLU A 67 27.703 -11.258 -1.597 1.00 65.01 O ATOM 0 H GLU A 67 25.256 -15.419 -2.504 1.00 13.41 H new ATOM 0 HA GLU A 67 27.810 -16.629 -3.313 1.00 2.11 H new ATOM 0 HB2 GLU A 67 28.655 -14.354 -3.225 1.00 52.32 H new ATOM 0 HB3 GLU A 67 27.191 -14.389 -4.187 1.00 52.32 H new ATOM 0 HG2 GLU A 67 26.240 -12.849 -2.875 1.00 40.22 H new ATOM 0 HG3 GLU A 67 26.440 -13.873 -1.467 1.00 40.22 H new ATOM 1055 N THR A 68 26.902 -16.530 -0.363 1.00 3.23 N ATOM 1056 CA THR A 68 27.254 -16.729 1.038 1.00 54.43 C ATOM 1057 C THR A 68 26.597 -17.986 1.596 1.00 62.21 C ATOM 1058 O THR A 68 27.233 -18.768 2.304 1.00 51.43 O ATOM 1059 CB THR A 68 26.837 -15.521 1.898 1.00 4.23 C ATOM 1060 OG1 THR A 68 26.887 -15.868 3.287 1.00 71.15 O ATOM 1061 CG2 THR A 68 25.435 -15.056 1.536 1.00 31.03 C ATOM 0 H THR A 68 25.936 -16.765 -0.593 1.00 3.23 H new ATOM 0 HA THR A 68 28.338 -16.839 1.080 1.00 54.43 H new ATOM 0 HB THR A 68 27.534 -14.706 1.702 1.00 4.23 H new ATOM 0 HG1 THR A 68 26.622 -15.094 3.827 1.00 71.15 H new ATOM 0 HG21 THR A 68 25.163 -14.202 2.157 1.00 31.03 H new ATOM 0 HG22 THR A 68 25.408 -14.765 0.486 1.00 31.03 H new ATOM 0 HG23 THR A 68 24.727 -15.868 1.705 1.00 31.03 H new ATOM 1069 N ARG A 69 25.322 -18.176 1.273 1.00 42.14 N ATOM 1070 CA ARG A 69 24.580 -19.339 1.743 1.00 73.22 C ATOM 1071 C ARG A 69 24.930 -20.576 0.921 1.00 73.13 C ATOM 1072 O ARG A 69 24.509 -20.710 -0.227 1.00 73.45 O ATOM 1073 CB ARG A 69 23.075 -19.074 1.670 1.00 71.04 C ATOM 1074 CG ARG A 69 22.308 -19.578 2.881 1.00 20.32 C ATOM 1075 CD ARG A 69 22.515 -21.070 3.090 1.00 24.24 C ATOM 1076 NE ARG A 69 21.362 -21.699 3.728 1.00 11.14 N ATOM 1077 CZ ARG A 69 21.098 -21.604 5.027 1.00 61.32 C ATOM 1078 NH1 ARG A 69 21.901 -20.910 5.821 1.00 41.10 N ATOM 1079 NH2 ARG A 69 20.029 -22.205 5.533 1.00 13.23 N ATOM 0 H ARG A 69 24.781 -17.539 0.688 1.00 42.14 H new ATOM 0 HA ARG A 69 24.860 -19.522 2.780 1.00 73.22 H new ATOM 0 HB2 ARG A 69 22.908 -18.002 1.565 1.00 71.04 H new ATOM 0 HB3 ARG A 69 22.674 -19.548 0.774 1.00 71.04 H new ATOM 0 HG2 ARG A 69 22.632 -19.037 3.770 1.00 20.32 H new ATOM 0 HG3 ARG A 69 21.246 -19.371 2.752 1.00 20.32 H new ATOM 0 HD2 ARG A 69 22.703 -21.548 2.129 1.00 24.24 H new ATOM 0 HD3 ARG A 69 23.401 -21.230 3.704 1.00 24.24 H new ATOM 0 HE ARG A 69 20.724 -22.241 3.145 1.00 11.14 H new ATOM 0 HH11 ARG A 69 22.724 -20.447 5.435 1.00 41.10 H new ATOM 0 HH12 ARG A 69 21.696 -20.839 6.818 1.00 41.10 H new ATOM 0 HH21 ARG A 69 19.409 -22.740 4.925 1.00 13.23 H new ATOM 0 HH22 ARG A 69 19.827 -22.132 6.530 1.00 13.23 H new ATOM 1093 N GLY A 70 25.704 -21.478 1.517 1.00 12.34 N ATOM 1094 CA GLY A 70 26.098 -22.691 0.826 1.00 72.12 C ATOM 1095 C GLY A 70 24.934 -23.637 0.605 1.00 52.42 C ATOM 1096 O GLY A 70 24.075 -23.788 1.473 1.00 14.32 O ATOM 0 H GLY A 70 26.065 -21.390 2.467 1.00 12.34 H new ATOM 0 HA2 GLY A 70 26.538 -22.430 -0.137 1.00 72.12 H new ATOM 0 HA3 GLY A 70 26.871 -23.199 1.403 1.00 72.12 H new ATOM 1100 N SER A 71 24.904 -24.274 -0.561 1.00 50.34 N ATOM 1101 CA SER A 71 23.833 -25.205 -0.896 1.00 63.33 C ATOM 1102 C SER A 71 24.372 -26.627 -1.030 1.00 11.53 C ATOM 1103 O SER A 71 25.568 -26.849 -1.216 1.00 23.53 O ATOM 1104 CB SER A 71 23.149 -24.783 -2.198 1.00 4.41 C ATOM 1105 OG SER A 71 22.041 -23.938 -1.941 1.00 4.43 O ATOM 0 H SER A 71 25.609 -24.162 -1.290 1.00 50.34 H new ATOM 0 HA SER A 71 23.102 -25.185 -0.087 1.00 63.33 H new ATOM 0 HB2 SER A 71 23.864 -24.266 -2.837 1.00 4.41 H new ATOM 0 HB3 SER A 71 22.817 -25.668 -2.742 1.00 4.41 H new ATOM 0 HG SER A 71 21.257 -24.269 -2.427 1.00 4.43 H new ATOM 1111 N PRO A 72 23.468 -27.612 -0.933 1.00 33.54 N ATOM 1112 CA PRO A 72 23.827 -29.030 -1.040 1.00 2.43 C ATOM 1113 C PRO A 72 24.242 -29.417 -2.455 1.00 3.10 C ATOM 1114 O PRO A 72 23.499 -29.202 -3.412 1.00 54.33 O ATOM 1115 CB PRO A 72 22.538 -29.754 -0.644 1.00 0.54 C ATOM 1116 CG PRO A 72 21.449 -28.787 -0.958 1.00 11.24 C ATOM 1117 CD PRO A 72 22.025 -27.420 -0.711 1.00 53.21 C ATOM 0 HA PRO A 72 24.683 -29.282 -0.414 1.00 2.43 H new ATOM 0 HB2 PRO A 72 22.417 -30.682 -1.203 1.00 0.54 H new ATOM 0 HB3 PRO A 72 22.541 -30.017 0.414 1.00 0.54 H new ATOM 0 HG2 PRO A 72 21.121 -28.891 -1.992 1.00 11.24 H new ATOM 0 HG3 PRO A 72 20.577 -28.963 -0.328 1.00 11.24 H new ATOM 0 HD2 PRO A 72 21.609 -26.679 -1.394 1.00 53.21 H new ATOM 0 HD3 PRO A 72 21.817 -27.073 0.301 1.00 53.21 H new ATOM 1125 N LYS A 73 25.434 -29.990 -2.581 1.00 24.00 N ATOM 1126 CA LYS A 73 25.949 -30.410 -3.879 1.00 53.32 C ATOM 1127 C LYS A 73 26.015 -29.231 -4.845 1.00 75.02 C ATOM 1128 O LYS A 73 25.830 -29.394 -6.051 1.00 42.23 O ATOM 1129 CB LYS A 73 25.069 -31.515 -4.466 1.00 74.43 C ATOM 1130 CG LYS A 73 25.343 -32.888 -3.877 1.00 61.35 C ATOM 1131 CD LYS A 73 24.738 -33.032 -2.491 1.00 2.50 C ATOM 1132 CE LYS A 73 24.679 -34.488 -2.056 1.00 42.13 C ATOM 1133 NZ LYS A 73 23.523 -35.202 -2.665 1.00 71.01 N ATOM 0 H LYS A 73 26.062 -30.174 -1.799 1.00 24.00 H new ATOM 0 HA LYS A 73 26.958 -30.796 -3.734 1.00 53.32 H new ATOM 0 HB2 LYS A 73 24.022 -31.260 -4.301 1.00 74.43 H new ATOM 0 HB3 LYS A 73 25.221 -31.555 -5.545 1.00 74.43 H new ATOM 0 HG2 LYS A 73 24.934 -33.655 -4.535 1.00 61.35 H new ATOM 0 HG3 LYS A 73 26.419 -33.054 -3.824 1.00 61.35 H new ATOM 0 HD2 LYS A 73 25.328 -32.461 -1.774 1.00 2.50 H new ATOM 0 HD3 LYS A 73 23.734 -32.609 -2.486 1.00 2.50 H new ATOM 0 HE2 LYS A 73 25.605 -34.989 -2.338 1.00 42.13 H new ATOM 0 HE3 LYS A 73 24.607 -34.540 -0.970 1.00 42.13 H new ATOM 0 HZ1 LYS A 73 23.518 -36.191 -2.344 1.00 71.01 H new ATOM 0 HZ2 LYS A 73 22.638 -34.739 -2.376 1.00 71.01 H new ATOM 0 HZ3 LYS A 73 23.605 -35.175 -3.701 1.00 71.01 H new ATOM 1147 N SER A 74 26.280 -28.045 -4.307 1.00 52.12 N ATOM 1148 CA SER A 74 26.368 -26.839 -5.122 1.00 13.53 C ATOM 1149 C SER A 74 27.553 -25.979 -4.693 1.00 14.53 C ATOM 1150 O SER A 74 27.382 -24.839 -4.259 1.00 45.51 O ATOM 1151 CB SER A 74 25.072 -26.031 -5.017 1.00 25.23 C ATOM 1152 OG SER A 74 24.968 -25.095 -6.075 1.00 73.03 O ATOM 0 H SER A 74 26.437 -27.893 -3.311 1.00 52.12 H new ATOM 0 HA SER A 74 26.517 -27.141 -6.159 1.00 13.53 H new ATOM 0 HB2 SER A 74 24.216 -26.706 -5.039 1.00 25.23 H new ATOM 0 HB3 SER A 74 25.042 -25.509 -4.061 1.00 25.23 H new ATOM 0 HG SER A 74 24.028 -25.000 -6.337 1.00 73.03 H new ATOM 1158 N HIS A 75 28.754 -26.533 -4.817 1.00 22.44 N ATOM 1159 CA HIS A 75 29.969 -25.818 -4.442 1.00 50.15 C ATOM 1160 C HIS A 75 30.028 -24.454 -5.124 1.00 12.04 C ATOM 1161 O HIS A 75 29.957 -24.358 -6.349 1.00 62.33 O ATOM 1162 CB HIS A 75 31.204 -26.639 -4.812 1.00 63.44 C ATOM 1163 CG HIS A 75 31.680 -27.535 -3.710 1.00 41.02 C ATOM 1164 ND1 HIS A 75 30.857 -28.430 -3.059 1.00 42.33 N ATOM 1165 CD2 HIS A 75 32.903 -27.671 -3.146 1.00 32.51 C ATOM 1166 CE1 HIS A 75 31.553 -29.077 -2.141 1.00 52.42 C ATOM 1167 NE2 HIS A 75 32.797 -28.635 -2.174 1.00 23.44 N ATOM 0 H HIS A 75 28.913 -27.475 -5.174 1.00 22.44 H new ATOM 0 HA HIS A 75 29.953 -25.666 -3.363 1.00 50.15 H new ATOM 0 HB2 HIS A 75 30.978 -27.245 -5.690 1.00 63.44 H new ATOM 0 HB3 HIS A 75 32.010 -25.961 -5.092 1.00 63.44 H new ATOM 0 HD2 HIS A 75 33.795 -27.124 -3.411 1.00 32.51 H new ATOM 0 HE1 HIS A 75 31.170 -29.838 -1.477 1.00 52.42 H new ATOM 0 HE2 HIS A 75 33.556 -28.958 -1.574 1.00 23.44 H new ATOM 1175 N ILE A 76 30.157 -23.403 -4.322 1.00 15.45 N ATOM 1176 CA ILE A 76 30.225 -22.045 -4.848 1.00 10.15 C ATOM 1177 C ILE A 76 31.672 -21.591 -5.012 1.00 75.42 C ATOM 1178 O ILE A 76 32.260 -21.015 -4.097 1.00 61.13 O ATOM 1179 CB ILE A 76 29.487 -21.049 -3.933 1.00 65.01 C ATOM 1180 CG1 ILE A 76 28.024 -21.464 -3.766 1.00 42.31 C ATOM 1181 CG2 ILE A 76 29.583 -19.640 -4.499 1.00 1.15 C ATOM 1182 CD1 ILE A 76 27.344 -20.814 -2.581 1.00 74.45 C ATOM 0 H ILE A 76 30.217 -23.465 -3.306 1.00 15.45 H new ATOM 0 HA ILE A 76 29.738 -22.059 -5.823 1.00 10.15 H new ATOM 0 HB ILE A 76 29.961 -21.059 -2.952 1.00 65.01 H new ATOM 0 HG12 ILE A 76 27.477 -21.210 -4.674 1.00 42.31 H new ATOM 0 HG13 ILE A 76 27.972 -22.547 -3.656 1.00 42.31 H new ATOM 0 HG21 ILE A 76 29.057 -18.947 -3.842 1.00 1.15 H new ATOM 0 HG22 ILE A 76 30.631 -19.347 -4.571 1.00 1.15 H new ATOM 0 HG23 ILE A 76 29.130 -19.614 -5.490 1.00 1.15 H new ATOM 0 HD11 ILE A 76 26.310 -21.154 -2.524 1.00 74.45 H new ATOM 0 HD12 ILE A 76 27.867 -21.089 -1.665 1.00 74.45 H new ATOM 0 HD13 ILE A 76 27.364 -19.731 -2.699 1.00 74.45 H new ATOM 1194 N ASP A 77 32.238 -21.854 -6.185 1.00 1.13 N ATOM 1195 CA ASP A 77 33.616 -21.470 -6.471 1.00 75.22 C ATOM 1196 C ASP A 77 33.694 -20.008 -6.900 1.00 64.42 C ATOM 1197 O ASP A 77 34.660 -19.310 -6.590 1.00 71.11 O ATOM 1198 CB ASP A 77 34.201 -22.367 -7.563 1.00 73.31 C ATOM 1199 CG ASP A 77 35.701 -22.538 -7.430 1.00 2.13 C ATOM 1200 OD1 ASP A 77 36.338 -21.692 -6.768 1.00 4.14 O ATOM 1201 OD2 ASP A 77 36.238 -23.518 -7.987 1.00 3.23 O ATOM 0 H ASP A 77 31.765 -22.331 -6.952 1.00 1.13 H new ATOM 0 HA ASP A 77 34.199 -21.594 -5.559 1.00 75.22 H new ATOM 0 HB2 ASP A 77 33.722 -23.345 -7.521 1.00 73.31 H new ATOM 0 HB3 ASP A 77 33.972 -21.941 -8.540 1.00 73.31 H new ATOM 1206 N LYS A 78 32.673 -19.551 -7.616 1.00 72.44 N ATOM 1207 CA LYS A 78 32.625 -18.173 -8.089 1.00 10.23 C ATOM 1208 C LYS A 78 31.187 -17.737 -8.352 1.00 31.34 C ATOM 1209 O LYS A 78 30.452 -18.399 -9.084 1.00 62.12 O ATOM 1210 CB LYS A 78 33.457 -18.020 -9.364 1.00 54.13 C ATOM 1211 CG LYS A 78 33.576 -16.584 -9.844 1.00 54.32 C ATOM 1212 CD LYS A 78 34.726 -15.862 -9.164 1.00 5.14 C ATOM 1213 CE LYS A 78 34.658 -14.360 -9.397 1.00 25.43 C ATOM 1214 NZ LYS A 78 35.077 -13.994 -10.778 1.00 2.00 N ATOM 0 H LYS A 78 31.866 -20.116 -7.882 1.00 72.44 H new ATOM 0 HA LYS A 78 33.043 -17.534 -7.311 1.00 10.23 H new ATOM 0 HB2 LYS A 78 34.456 -18.419 -9.186 1.00 54.13 H new ATOM 0 HB3 LYS A 78 33.009 -18.623 -10.154 1.00 54.13 H new ATOM 0 HG2 LYS A 78 33.725 -16.572 -10.924 1.00 54.32 H new ATOM 0 HG3 LYS A 78 32.644 -16.055 -9.645 1.00 54.32 H new ATOM 0 HD2 LYS A 78 34.703 -16.066 -8.094 1.00 5.14 H new ATOM 0 HD3 LYS A 78 35.673 -16.247 -9.542 1.00 5.14 H new ATOM 0 HE2 LYS A 78 33.640 -14.011 -9.222 1.00 25.43 H new ATOM 0 HE3 LYS A 78 35.298 -13.851 -8.676 1.00 25.43 H new ATOM 0 HZ1 LYS A 78 35.017 -12.963 -10.897 1.00 2.00 H new ATOM 0 HZ2 LYS A 78 36.057 -14.304 -10.937 1.00 2.00 H new ATOM 0 HZ3 LYS A 78 34.450 -14.459 -11.466 1.00 2.00 H new ATOM 1228 N ALA A 79 30.793 -16.620 -7.750 1.00 55.20 N ATOM 1229 CA ALA A 79 29.444 -16.095 -7.922 1.00 52.43 C ATOM 1230 C ALA A 79 29.475 -14.634 -8.359 1.00 40.03 C ATOM 1231 O ALA A 79 29.977 -13.772 -7.640 1.00 4.13 O ATOM 1232 CB ALA A 79 28.650 -16.245 -6.633 1.00 2.11 C ATOM 0 H ALA A 79 31.389 -16.061 -7.139 1.00 55.20 H new ATOM 0 HA ALA A 79 28.954 -16.672 -8.706 1.00 52.43 H new ATOM 0 HB1 ALA A 79 27.645 -15.849 -6.777 1.00 2.11 H new ATOM 0 HB2 ALA A 79 28.589 -17.299 -6.364 1.00 2.11 H new ATOM 0 HB3 ALA A 79 29.146 -15.694 -5.834 1.00 2.11 H new ATOM 1238 N ASN A 80 28.935 -14.364 -9.543 1.00 45.35 N ATOM 1239 CA ASN A 80 28.903 -13.007 -10.077 1.00 1.32 C ATOM 1240 C ASN A 80 27.720 -12.822 -11.023 1.00 2.05 C ATOM 1241 O ASN A 80 27.004 -13.775 -11.332 1.00 10.55 O ATOM 1242 CB ASN A 80 30.209 -12.693 -10.809 1.00 5.33 C ATOM 1243 CG ASN A 80 30.555 -11.217 -10.768 1.00 10.35 C ATOM 1244 OD1 ASN A 80 30.018 -10.465 -9.954 1.00 4.33 O ATOM 1245 ND2 ASN A 80 31.455 -10.795 -11.648 1.00 62.10 N ATOM 0 H ASN A 80 28.514 -15.067 -10.151 1.00 45.35 H new ATOM 0 HA ASN A 80 28.788 -12.317 -9.241 1.00 1.32 H new ATOM 0 HB2 ASN A 80 31.020 -13.266 -10.360 1.00 5.33 H new ATOM 0 HB3 ASN A 80 30.127 -13.015 -11.847 1.00 5.33 H new ATOM 0 HD21 ASN A 80 31.727 -9.812 -11.668 1.00 62.10 H new ATOM 0 HD22 ASN A 80 31.874 -11.454 -12.304 1.00 62.10 H new ATOM 1252 N PHE A 81 27.522 -11.590 -11.480 1.00 31.05 N ATOM 1253 CA PHE A 81 26.426 -11.280 -12.390 1.00 51.40 C ATOM 1254 C PHE A 81 26.888 -10.333 -13.494 1.00 72.45 C ATOM 1255 O PHE A 81 28.046 -9.920 -13.528 1.00 30.10 O ATOM 1256 CB PHE A 81 25.259 -10.655 -11.623 1.00 12.22 C ATOM 1257 CG PHE A 81 25.679 -9.573 -10.670 1.00 12.35 C ATOM 1258 CD1 PHE A 81 26.031 -8.317 -11.138 1.00 22.24 C ATOM 1259 CD2 PHE A 81 25.722 -9.811 -9.305 1.00 73.43 C ATOM 1260 CE1 PHE A 81 26.418 -7.319 -10.263 1.00 71.10 C ATOM 1261 CE2 PHE A 81 26.107 -8.817 -8.426 1.00 60.10 C ATOM 1262 CZ PHE A 81 26.457 -7.570 -8.906 1.00 12.15 C ATOM 0 H PHE A 81 28.106 -10.790 -11.235 1.00 31.05 H new ATOM 0 HA PHE A 81 26.093 -12.211 -12.849 1.00 51.40 H new ATOM 0 HB2 PHE A 81 24.545 -10.243 -12.336 1.00 12.22 H new ATOM 0 HB3 PHE A 81 24.740 -11.436 -11.067 1.00 12.22 H new ATOM 0 HD1 PHE A 81 26.003 -8.115 -12.199 1.00 22.24 H new ATOM 0 HD2 PHE A 81 25.451 -10.785 -8.924 1.00 73.43 H new ATOM 0 HE1 PHE A 81 26.689 -6.344 -10.641 1.00 71.10 H new ATOM 0 HE2 PHE A 81 26.134 -9.015 -7.365 1.00 60.10 H new ATOM 0 HZ PHE A 81 26.761 -6.792 -8.221 1.00 12.15 H new ATOM 1272 N ASN A 82 25.973 -9.996 -14.397 1.00 54.41 N ATOM 1273 CA ASN A 82 26.285 -9.099 -15.504 1.00 64.32 C ATOM 1274 C ASN A 82 25.736 -7.700 -15.243 1.00 72.24 C ATOM 1275 O ASN A 82 25.098 -7.454 -14.221 1.00 4.54 O ATOM 1276 CB ASN A 82 25.711 -9.650 -16.811 1.00 52.42 C ATOM 1277 CG ASN A 82 26.547 -9.266 -18.017 1.00 30.51 C ATOM 1278 OD1 ASN A 82 26.224 -8.320 -18.735 1.00 1.13 O ATOM 1279 ND2 ASN A 82 27.628 -10.003 -18.245 1.00 3.11 N ATOM 0 H ASN A 82 25.009 -10.330 -14.384 1.00 54.41 H new ATOM 0 HA ASN A 82 27.370 -9.033 -15.591 1.00 64.32 H new ATOM 0 HB2 ASN A 82 25.648 -10.736 -16.747 1.00 52.42 H new ATOM 0 HB3 ASN A 82 24.695 -9.279 -16.944 1.00 52.42 H new ATOM 0 HD21 ASN A 82 28.229 -9.794 -19.042 1.00 3.11 H new ATOM 0 HD22 ASN A 82 27.857 -10.778 -17.623 1.00 3.11 H new ATOM 1286 N ASN A 83 25.988 -6.788 -16.177 1.00 14.03 N ATOM 1287 CA ASN A 83 25.518 -5.413 -16.048 1.00 61.21 C ATOM 1288 C ASN A 83 23.995 -5.350 -16.111 1.00 20.41 C ATOM 1289 O ASN A 83 23.414 -5.212 -17.187 1.00 0.54 O ATOM 1290 CB ASN A 83 26.122 -4.541 -17.151 1.00 14.02 C ATOM 1291 CG ASN A 83 27.488 -4.001 -16.778 1.00 5.44 C ATOM 1292 OD1 ASN A 83 28.471 -4.742 -16.735 1.00 14.33 O ATOM 1293 ND2 ASN A 83 27.557 -2.703 -16.505 1.00 2.20 N ATOM 0 H ASN A 83 26.514 -6.976 -17.030 1.00 14.03 H new ATOM 0 HA ASN A 83 25.839 -5.035 -15.077 1.00 61.21 H new ATOM 0 HB2 ASN A 83 26.203 -5.124 -18.068 1.00 14.02 H new ATOM 0 HB3 ASN A 83 25.450 -3.709 -17.361 1.00 14.02 H new ATOM 0 HD21 ASN A 83 28.450 -2.283 -16.247 1.00 2.20 H new ATOM 0 HD22 ASN A 83 26.717 -2.126 -16.553 1.00 2.20 H new ATOM 1300 N GLU A 84 23.356 -5.453 -14.950 1.00 35.01 N ATOM 1301 CA GLU A 84 21.900 -5.408 -14.874 1.00 20.03 C ATOM 1302 C GLU A 84 21.356 -4.170 -15.580 1.00 43.52 C ATOM 1303 O GLU A 84 22.102 -3.241 -15.894 1.00 22.53 O ATOM 1304 CB GLU A 84 21.443 -5.417 -13.413 1.00 61.55 C ATOM 1305 CG GLU A 84 21.736 -4.122 -12.676 1.00 23.05 C ATOM 1306 CD GLU A 84 22.458 -4.350 -11.361 1.00 52.33 C ATOM 1307 OE1 GLU A 84 21.779 -4.656 -10.358 1.00 45.32 O ATOM 1308 OE2 GLU A 84 23.700 -4.222 -11.336 1.00 15.24 O ATOM 0 H GLU A 84 23.823 -5.568 -14.050 1.00 35.01 H new ATOM 0 HA GLU A 84 21.508 -6.293 -15.376 1.00 20.03 H new ATOM 0 HB2 GLU A 84 20.371 -5.611 -13.378 1.00 61.55 H new ATOM 0 HB3 GLU A 84 21.933 -6.240 -12.893 1.00 61.55 H new ATOM 0 HG2 GLU A 84 22.341 -3.476 -13.311 1.00 23.05 H new ATOM 0 HG3 GLU A 84 20.800 -3.596 -12.486 1.00 23.05 H new ATOM 1315 N LYS A 85 20.051 -4.163 -15.829 1.00 0.44 N ATOM 1316 CA LYS A 85 19.405 -3.040 -16.497 1.00 51.53 C ATOM 1317 C LYS A 85 17.965 -2.878 -16.021 1.00 73.43 C ATOM 1318 O LYS A 85 17.429 -3.744 -15.329 1.00 55.12 O ATOM 1319 CB LYS A 85 19.433 -3.238 -18.014 1.00 75.25 C ATOM 1320 CG LYS A 85 18.869 -4.575 -18.463 1.00 63.52 C ATOM 1321 CD LYS A 85 19.218 -4.869 -19.913 1.00 22.54 C ATOM 1322 CE LYS A 85 18.158 -4.331 -20.861 1.00 43.13 C ATOM 1323 NZ LYS A 85 18.150 -2.842 -20.896 1.00 34.23 N ATOM 0 H LYS A 85 19.419 -4.924 -15.578 1.00 0.44 H new ATOM 0 HA LYS A 85 19.956 -2.134 -16.245 1.00 51.53 H new ATOM 0 HB2 LYS A 85 18.866 -2.436 -18.487 1.00 75.25 H new ATOM 0 HB3 LYS A 85 20.461 -3.151 -18.365 1.00 75.25 H new ATOM 0 HG2 LYS A 85 19.260 -5.368 -17.826 1.00 63.52 H new ATOM 0 HG3 LYS A 85 17.786 -4.573 -18.342 1.00 63.52 H new ATOM 0 HD2 LYS A 85 20.183 -4.423 -20.154 1.00 22.54 H new ATOM 0 HD3 LYS A 85 19.320 -5.945 -20.053 1.00 22.54 H new ATOM 0 HE2 LYS A 85 18.338 -4.717 -21.864 1.00 43.13 H new ATOM 0 HE3 LYS A 85 17.177 -4.692 -20.552 1.00 43.13 H new ATOM 0 HZ1 LYS A 85 17.821 -2.518 -21.828 1.00 34.23 H new ATOM 0 HZ2 LYS A 85 17.512 -2.481 -20.159 1.00 34.23 H new ATOM 0 HZ3 LYS A 85 19.112 -2.486 -20.726 1.00 34.23 H new ATOM 1337 N VAL A 86 17.343 -1.766 -16.398 1.00 13.52 N ATOM 1338 CA VAL A 86 15.964 -1.492 -16.011 1.00 74.44 C ATOM 1339 C VAL A 86 15.010 -1.725 -17.178 1.00 11.51 C ATOM 1340 O VAL A 86 15.363 -1.498 -18.336 1.00 13.13 O ATOM 1341 CB VAL A 86 15.798 -0.047 -15.507 1.00 11.41 C ATOM 1342 CG1 VAL A 86 16.677 0.199 -14.290 1.00 64.25 C ATOM 1343 CG2 VAL A 86 16.119 0.944 -16.616 1.00 12.22 C ATOM 0 H VAL A 86 17.772 -1.040 -16.971 1.00 13.52 H new ATOM 0 HA VAL A 86 15.720 -2.180 -15.202 1.00 74.44 H new ATOM 0 HB VAL A 86 14.759 0.099 -15.210 1.00 11.41 H new ATOM 0 HG11 VAL A 86 16.546 1.226 -13.948 1.00 64.25 H new ATOM 0 HG12 VAL A 86 16.394 -0.488 -13.492 1.00 64.25 H new ATOM 0 HG13 VAL A 86 17.721 0.036 -14.556 1.00 64.25 H new ATOM 0 HG21 VAL A 86 15.996 1.961 -16.242 1.00 12.22 H new ATOM 0 HG22 VAL A 86 17.148 0.800 -16.946 1.00 12.22 H new ATOM 0 HG23 VAL A 86 15.443 0.782 -17.456 1.00 12.22 H new ATOM 1353 N ILE A 87 13.800 -2.177 -16.865 1.00 24.10 N ATOM 1354 CA ILE A 87 12.795 -2.438 -17.887 1.00 70.34 C ATOM 1355 C ILE A 87 11.428 -1.913 -17.461 1.00 43.35 C ATOM 1356 O ILE A 87 11.289 -1.301 -16.401 1.00 72.42 O ATOM 1357 CB ILE A 87 12.681 -3.943 -18.193 1.00 61.45 C ATOM 1358 CG1 ILE A 87 12.312 -4.717 -16.926 1.00 61.22 C ATOM 1359 CG2 ILE A 87 13.985 -4.465 -18.778 1.00 70.15 C ATOM 1360 CD1 ILE A 87 13.510 -5.132 -16.101 1.00 41.11 C ATOM 0 H ILE A 87 13.492 -2.370 -15.912 1.00 24.10 H new ATOM 0 HA ILE A 87 13.118 -1.915 -18.787 1.00 70.34 H new ATOM 0 HB ILE A 87 11.891 -4.090 -18.929 1.00 61.45 H new ATOM 0 HG12 ILE A 87 11.654 -4.101 -16.312 1.00 61.22 H new ATOM 0 HG13 ILE A 87 11.747 -5.607 -17.205 1.00 61.22 H new ATOM 0 HG21 ILE A 87 13.889 -5.530 -18.989 1.00 70.15 H new ATOM 0 HG22 ILE A 87 14.209 -3.931 -19.701 1.00 70.15 H new ATOM 0 HG23 ILE A 87 14.793 -4.308 -18.063 1.00 70.15 H new ATOM 0 HD11 ILE A 87 13.173 -5.676 -15.219 1.00 41.11 H new ATOM 0 HD12 ILE A 87 14.158 -5.774 -16.698 1.00 41.11 H new ATOM 0 HD13 ILE A 87 14.063 -4.245 -15.791 1.00 41.11 H new ATOM 1372 N LEU A 88 10.422 -2.156 -18.293 1.00 54.04 N ATOM 1373 CA LEU A 88 9.064 -1.709 -18.003 1.00 32.04 C ATOM 1374 C LEU A 88 8.415 -2.593 -16.943 1.00 34.33 C ATOM 1375 O LEU A 88 7.844 -2.099 -15.970 1.00 43.21 O ATOM 1376 CB LEU A 88 8.219 -1.718 -19.278 1.00 12.23 C ATOM 1377 CG LEU A 88 8.625 -0.716 -20.359 1.00 42.10 C ATOM 1378 CD1 LEU A 88 7.651 -0.765 -21.526 1.00 32.14 C ATOM 1379 CD2 LEU A 88 8.699 0.690 -19.782 1.00 41.44 C ATOM 0 H LEU A 88 10.521 -2.660 -19.174 1.00 54.04 H new ATOM 0 HA LEU A 88 9.118 -0.691 -17.618 1.00 32.04 H new ATOM 0 HB2 LEU A 88 8.255 -2.719 -19.707 1.00 12.23 H new ATOM 0 HB3 LEU A 88 7.182 -1.526 -19.004 1.00 12.23 H new ATOM 0 HG LEU A 88 9.614 -0.989 -20.727 1.00 42.10 H new ATOM 0 HD11 LEU A 88 7.956 -0.045 -22.285 1.00 32.14 H new ATOM 0 HD12 LEU A 88 7.648 -1.767 -21.956 1.00 32.14 H new ATOM 0 HD13 LEU A 88 6.649 -0.519 -21.174 1.00 32.14 H new ATOM 0 HD21 LEU A 88 8.989 1.390 -20.565 1.00 41.44 H new ATOM 0 HD22 LEU A 88 7.724 0.973 -19.386 1.00 41.44 H new ATOM 0 HD23 LEU A 88 9.437 0.716 -18.980 1.00 41.44 H new ATOM 1391 N LYS A 89 8.507 -3.905 -17.136 1.00 50.43 N ATOM 1392 CA LYS A 89 7.932 -4.860 -16.196 1.00 43.52 C ATOM 1393 C LYS A 89 8.527 -6.249 -16.400 1.00 61.24 C ATOM 1394 O LYS A 89 9.401 -6.444 -17.247 1.00 11.54 O ATOM 1395 CB LYS A 89 6.412 -4.915 -16.359 1.00 73.02 C ATOM 1396 CG LYS A 89 5.960 -5.080 -17.800 1.00 21.31 C ATOM 1397 CD LYS A 89 4.500 -5.494 -17.883 1.00 24.12 C ATOM 1398 CE LYS A 89 4.089 -5.804 -19.314 1.00 63.20 C ATOM 1399 NZ LYS A 89 2.776 -6.504 -19.375 1.00 25.43 N ATOM 0 H LYS A 89 8.975 -4.331 -17.936 1.00 50.43 H new ATOM 0 HA LYS A 89 8.171 -4.527 -15.186 1.00 43.52 H new ATOM 0 HB2 LYS A 89 6.021 -5.743 -15.767 1.00 73.02 H new ATOM 0 HB3 LYS A 89 5.978 -4.001 -15.953 1.00 73.02 H new ATOM 0 HG2 LYS A 89 6.104 -4.143 -18.337 1.00 21.31 H new ATOM 0 HG3 LYS A 89 6.580 -5.829 -18.293 1.00 21.31 H new ATOM 0 HD2 LYS A 89 4.333 -6.371 -17.257 1.00 24.12 H new ATOM 0 HD3 LYS A 89 3.871 -4.696 -17.488 1.00 24.12 H new ATOM 0 HE2 LYS A 89 4.033 -4.877 -19.885 1.00 63.20 H new ATOM 0 HE3 LYS A 89 4.853 -6.423 -19.785 1.00 63.20 H new ATOM 0 HZ1 LYS A 89 2.532 -6.697 -20.367 1.00 25.43 H new ATOM 0 HZ2 LYS A 89 2.836 -7.401 -18.852 1.00 25.43 H new ATOM 0 HZ3 LYS A 89 2.042 -5.903 -18.948 1.00 25.43 H new ATOM 1413 N LEU A 90 8.048 -7.213 -15.622 1.00 12.01 N ATOM 1414 CA LEU A 90 8.531 -8.586 -15.719 1.00 22.05 C ATOM 1415 C LEU A 90 8.378 -9.119 -17.140 1.00 15.35 C ATOM 1416 O LEU A 90 7.700 -8.513 -17.970 1.00 73.31 O ATOM 1417 CB LEU A 90 7.773 -9.485 -14.740 1.00 51.40 C ATOM 1418 CG LEU A 90 7.768 -9.032 -13.279 1.00 74.24 C ATOM 1419 CD1 LEU A 90 6.622 -9.685 -12.522 1.00 73.54 C ATOM 1420 CD2 LEU A 90 9.099 -9.354 -12.617 1.00 1.24 C ATOM 0 H LEU A 90 7.325 -7.069 -14.917 1.00 12.01 H new ATOM 0 HA LEU A 90 9.590 -8.591 -15.462 1.00 22.05 H new ATOM 0 HB2 LEU A 90 6.740 -9.566 -15.078 1.00 51.40 H new ATOM 0 HB3 LEU A 90 8.204 -10.485 -14.788 1.00 51.40 H new ATOM 0 HG LEU A 90 7.624 -7.952 -13.253 1.00 74.24 H new ATOM 0 HD11 LEU A 90 6.634 -9.351 -11.484 1.00 73.54 H new ATOM 0 HD12 LEU A 90 5.675 -9.404 -12.983 1.00 73.54 H new ATOM 0 HD13 LEU A 90 6.734 -10.769 -12.556 1.00 73.54 H new ATOM 0 HD21 LEU A 90 9.078 -9.025 -11.578 1.00 1.24 H new ATOM 0 HD22 LEU A 90 9.273 -10.429 -12.653 1.00 1.24 H new ATOM 0 HD23 LEU A 90 9.902 -8.839 -13.144 1.00 1.24 H new ATOM 1432 N ASP A 91 9.009 -10.255 -17.411 1.00 63.22 N ATOM 1433 CA ASP A 91 8.940 -10.872 -18.731 1.00 3.21 C ATOM 1434 C ASP A 91 8.263 -12.237 -18.658 1.00 44.02 C ATOM 1435 O ASP A 91 7.661 -12.695 -19.629 1.00 60.04 O ATOM 1436 CB ASP A 91 10.343 -11.015 -19.324 1.00 54.15 C ATOM 1437 CG ASP A 91 10.314 -11.384 -20.795 1.00 21.24 C ATOM 1438 OD1 ASP A 91 9.776 -10.591 -21.595 1.00 1.02 O ATOM 1439 OD2 ASP A 91 10.829 -12.467 -21.145 1.00 1.12 O ATOM 0 H ASP A 91 9.574 -10.768 -16.735 1.00 63.22 H new ATOM 0 HA ASP A 91 8.345 -10.226 -19.377 1.00 3.21 H new ATOM 0 HB2 ASP A 91 10.885 -10.078 -19.198 1.00 54.15 H new ATOM 0 HB3 ASP A 91 10.892 -11.778 -18.772 1.00 54.15 H new ATOM 1444 N TYR A 92 8.368 -12.882 -17.502 1.00 32.32 N ATOM 1445 CA TYR A 92 7.769 -14.197 -17.303 1.00 51.24 C ATOM 1446 C TYR A 92 6.600 -14.121 -16.325 1.00 64.13 C ATOM 1447 O TYR A 92 6.521 -13.207 -15.505 1.00 4.03 O ATOM 1448 CB TYR A 92 8.817 -15.185 -16.788 1.00 75.11 C ATOM 1449 CG TYR A 92 9.705 -15.747 -17.875 1.00 3.32 C ATOM 1450 CD1 TYR A 92 10.431 -14.905 -18.710 1.00 31.54 C ATOM 1451 CD2 TYR A 92 9.819 -17.118 -18.068 1.00 11.24 C ATOM 1452 CE1 TYR A 92 11.244 -15.414 -19.704 1.00 53.23 C ATOM 1453 CE2 TYR A 92 10.630 -17.635 -19.059 1.00 24.14 C ATOM 1454 CZ TYR A 92 11.341 -16.779 -19.875 1.00 35.25 C ATOM 1455 OH TYR A 92 12.149 -17.290 -20.864 1.00 32.42 O ATOM 0 H TYR A 92 8.862 -12.516 -16.688 1.00 32.32 H new ATOM 0 HA TYR A 92 7.392 -14.546 -18.264 1.00 51.24 H new ATOM 0 HB2 TYR A 92 9.439 -14.687 -16.044 1.00 75.11 H new ATOM 0 HB3 TYR A 92 8.311 -16.007 -16.282 1.00 75.11 H new ATOM 0 HD1 TYR A 92 10.358 -13.835 -18.579 1.00 31.54 H new ATOM 0 HD2 TYR A 92 9.264 -17.791 -17.432 1.00 11.24 H new ATOM 0 HE1 TYR A 92 11.801 -14.746 -20.344 1.00 53.23 H new ATOM 0 HE2 TYR A 92 10.707 -18.704 -19.195 1.00 24.14 H new ATOM 0 HH TYR A 92 12.105 -18.269 -20.849 1.00 32.42 H new ATOM 1465 N SER A 93 5.695 -15.090 -16.419 1.00 40.32 N ATOM 1466 CA SER A 93 4.528 -15.133 -15.546 1.00 2.33 C ATOM 1467 C SER A 93 4.746 -16.111 -14.396 1.00 22.42 C ATOM 1468 O SER A 93 4.155 -15.970 -13.325 1.00 73.23 O ATOM 1469 CB SER A 93 3.284 -15.532 -16.341 1.00 52.31 C ATOM 1470 OG SER A 93 2.740 -14.419 -17.030 1.00 3.01 O ATOM 0 H SER A 93 5.748 -15.856 -17.091 1.00 40.32 H new ATOM 0 HA SER A 93 4.380 -14.137 -15.130 1.00 2.33 H new ATOM 0 HB2 SER A 93 3.540 -16.315 -17.054 1.00 52.31 H new ATOM 0 HB3 SER A 93 2.535 -15.947 -15.666 1.00 52.31 H new ATOM 0 HG SER A 93 1.947 -14.701 -17.532 1.00 3.01 H new ATOM 1476 N ASP A 94 5.599 -17.103 -14.626 1.00 22.45 N ATOM 1477 CA ASP A 94 5.897 -18.106 -13.610 1.00 24.25 C ATOM 1478 C ASP A 94 7.252 -18.758 -13.870 1.00 74.25 C ATOM 1479 O ASP A 94 7.553 -19.159 -14.995 1.00 42.40 O ATOM 1480 CB ASP A 94 4.802 -19.173 -13.578 1.00 15.41 C ATOM 1481 CG ASP A 94 3.577 -18.722 -12.805 1.00 63.15 C ATOM 1482 OD1 ASP A 94 3.556 -18.901 -11.570 1.00 30.35 O ATOM 1483 OD2 ASP A 94 2.641 -18.189 -13.437 1.00 31.53 O ATOM 0 H ASP A 94 6.096 -17.234 -15.507 1.00 22.45 H new ATOM 0 HA ASP A 94 5.934 -17.606 -12.642 1.00 24.25 H new ATOM 0 HB2 ASP A 94 4.512 -19.423 -14.599 1.00 15.41 H new ATOM 0 HB3 ASP A 94 5.198 -20.083 -13.127 1.00 15.41 H new ATOM 1488 N PHE A 95 8.065 -18.861 -12.824 1.00 53.44 N ATOM 1489 CA PHE A 95 9.388 -19.462 -12.941 1.00 21.13 C ATOM 1490 C PHE A 95 9.305 -20.837 -13.597 1.00 33.34 C ATOM 1491 O PHE A 95 8.573 -21.712 -13.135 1.00 70.41 O ATOM 1492 CB PHE A 95 10.040 -19.581 -11.562 1.00 5.03 C ATOM 1493 CG PHE A 95 11.537 -19.696 -11.615 1.00 21.04 C ATOM 1494 CD1 PHE A 95 12.140 -20.826 -12.143 1.00 70.20 C ATOM 1495 CD2 PHE A 95 12.341 -18.674 -11.136 1.00 41.05 C ATOM 1496 CE1 PHE A 95 13.517 -20.935 -12.192 1.00 51.20 C ATOM 1497 CE2 PHE A 95 13.719 -18.777 -11.183 1.00 53.23 C ATOM 1498 CZ PHE A 95 14.307 -19.908 -11.713 1.00 22.42 C ATOM 0 H PHE A 95 7.831 -18.536 -11.886 1.00 53.44 H new ATOM 0 HA PHE A 95 9.999 -18.815 -13.570 1.00 21.13 H new ATOM 0 HB2 PHE A 95 9.771 -18.709 -10.965 1.00 5.03 H new ATOM 0 HB3 PHE A 95 9.634 -20.454 -11.051 1.00 5.03 H new ATOM 0 HD1 PHE A 95 11.527 -21.631 -12.521 1.00 70.20 H new ATOM 0 HD2 PHE A 95 11.886 -17.787 -10.721 1.00 41.05 H new ATOM 0 HE1 PHE A 95 13.975 -21.822 -12.604 1.00 51.20 H new ATOM 0 HE2 PHE A 95 14.334 -17.974 -10.806 1.00 53.23 H new ATOM 0 HZ PHE A 95 15.383 -19.990 -11.753 1.00 22.42 H new ATOM 1508 N GLN A 96 10.059 -21.018 -14.676 1.00 24.34 N ATOM 1509 CA GLN A 96 10.070 -22.286 -15.396 1.00 31.01 C ATOM 1510 C GLN A 96 11.496 -22.712 -15.728 1.00 4.24 C ATOM 1511 O GLN A 96 12.181 -22.061 -16.518 1.00 75.11 O ATOM 1512 CB GLN A 96 9.247 -22.174 -16.680 1.00 52.23 C ATOM 1513 CG GLN A 96 7.782 -22.539 -16.498 1.00 65.34 C ATOM 1514 CD GLN A 96 6.978 -22.377 -17.773 1.00 13.43 C ATOM 1515 OE1 GLN A 96 5.959 -21.685 -17.793 1.00 72.42 O ATOM 1516 NE2 GLN A 96 7.432 -23.014 -18.845 1.00 72.05 N ATOM 0 H GLN A 96 10.670 -20.303 -15.071 1.00 24.34 H new ATOM 0 HA GLN A 96 9.625 -23.044 -14.752 1.00 31.01 H new ATOM 0 HB2 GLN A 96 9.314 -21.153 -17.057 1.00 52.23 H new ATOM 0 HB3 GLN A 96 9.683 -22.824 -17.439 1.00 52.23 H new ATOM 0 HG2 GLN A 96 7.708 -23.571 -16.155 1.00 65.34 H new ATOM 0 HG3 GLN A 96 7.349 -21.912 -15.718 1.00 65.34 H new ATOM 0 HE21 GLN A 96 8.281 -23.576 -18.783 1.00 72.05 H new ATOM 0 HE22 GLN A 96 6.932 -22.941 -19.731 1.00 72.05 H new ATOM 1525 N ILE A 97 11.938 -23.807 -15.119 1.00 4.24 N ATOM 1526 CA ILE A 97 13.283 -24.319 -15.350 1.00 61.23 C ATOM 1527 C ILE A 97 13.473 -24.726 -16.808 1.00 33.55 C ATOM 1528 O ILE A 97 12.727 -25.552 -17.335 1.00 13.41 O ATOM 1529 CB ILE A 97 13.588 -25.529 -14.447 1.00 42.20 C ATOM 1530 CG1 ILE A 97 13.346 -25.171 -12.979 1.00 41.23 C ATOM 1531 CG2 ILE A 97 15.021 -25.997 -14.654 1.00 51.34 C ATOM 1532 CD1 ILE A 97 13.511 -26.342 -12.036 1.00 61.15 C ATOM 0 H ILE A 97 11.384 -24.357 -14.462 1.00 4.24 H new ATOM 0 HA ILE A 97 13.974 -23.512 -15.107 1.00 61.23 H new ATOM 0 HB ILE A 97 12.917 -26.344 -14.718 1.00 42.20 H new ATOM 0 HG12 ILE A 97 14.037 -24.380 -12.688 1.00 41.23 H new ATOM 0 HG13 ILE A 97 12.339 -24.769 -12.873 1.00 41.23 H new ATOM 0 HG21 ILE A 97 15.221 -26.853 -14.009 1.00 51.34 H new ATOM 0 HG22 ILE A 97 15.162 -26.287 -15.695 1.00 51.34 H new ATOM 0 HG23 ILE A 97 15.708 -25.187 -14.406 1.00 51.34 H new ATOM 0 HD11 ILE A 97 13.325 -26.015 -11.013 1.00 61.15 H new ATOM 0 HD12 ILE A 97 12.801 -27.126 -12.301 1.00 61.15 H new ATOM 0 HD13 ILE A 97 14.526 -26.731 -12.113 1.00 61.15 H new ATOM 1544 N VAL A 98 14.478 -24.143 -17.453 1.00 74.44 N ATOM 1545 CA VAL A 98 14.768 -24.447 -18.849 1.00 61.44 C ATOM 1546 C VAL A 98 15.727 -25.627 -18.967 1.00 2.40 C ATOM 1547 O VAL A 98 16.627 -25.794 -18.144 1.00 21.15 O ATOM 1548 CB VAL A 98 15.376 -23.232 -19.574 1.00 54.40 C ATOM 1549 CG1 VAL A 98 15.655 -23.563 -21.032 1.00 75.21 C ATOM 1550 CG2 VAL A 98 14.452 -22.028 -19.460 1.00 4.13 C ATOM 0 H VAL A 98 15.105 -23.458 -17.031 1.00 74.44 H new ATOM 0 HA VAL A 98 13.819 -24.704 -19.320 1.00 61.44 H new ATOM 0 HB VAL A 98 16.323 -22.983 -19.096 1.00 54.40 H new ATOM 0 HG11 VAL A 98 16.084 -22.692 -21.527 1.00 75.21 H new ATOM 0 HG12 VAL A 98 16.357 -24.395 -21.088 1.00 75.21 H new ATOM 0 HG13 VAL A 98 14.724 -23.840 -21.527 1.00 75.21 H new ATOM 0 HG21 VAL A 98 14.896 -21.178 -19.978 1.00 4.13 H new ATOM 0 HG22 VAL A 98 13.489 -22.265 -19.912 1.00 4.13 H new ATOM 0 HG23 VAL A 98 14.308 -21.778 -18.409 1.00 4.13 H new ATOM 1560 N LYS A 99 15.530 -26.443 -19.997 1.00 15.52 N ATOM 1561 CA LYS A 99 16.377 -27.607 -20.225 1.00 44.41 C ATOM 1562 C LYS A 99 16.711 -27.754 -21.706 1.00 62.41 C ATOM 1563 O LYS A 99 15.832 -27.660 -22.563 1.00 61.20 O ATOM 1564 CB LYS A 99 15.686 -28.874 -19.718 1.00 72.23 C ATOM 1565 CG LYS A 99 15.095 -28.730 -18.326 1.00 41.25 C ATOM 1566 CD LYS A 99 14.436 -30.018 -17.864 1.00 21.41 C ATOM 1567 CE LYS A 99 13.705 -29.828 -16.544 1.00 24.04 C ATOM 1568 NZ LYS A 99 12.364 -29.210 -16.736 1.00 3.11 N ATOM 0 H LYS A 99 14.790 -26.319 -20.688 1.00 15.52 H new ATOM 0 HA LYS A 99 17.306 -27.463 -19.674 1.00 44.41 H new ATOM 0 HB2 LYS A 99 14.893 -29.148 -20.414 1.00 72.23 H new ATOM 0 HB3 LYS A 99 16.405 -29.693 -19.715 1.00 72.23 H new ATOM 0 HG2 LYS A 99 15.880 -28.450 -17.624 1.00 41.25 H new ATOM 0 HG3 LYS A 99 14.362 -27.924 -18.323 1.00 41.25 H new ATOM 0 HD2 LYS A 99 13.734 -30.361 -18.624 1.00 21.41 H new ATOM 0 HD3 LYS A 99 15.192 -30.795 -17.754 1.00 21.41 H new ATOM 0 HE2 LYS A 99 13.593 -30.793 -16.049 1.00 24.04 H new ATOM 0 HE3 LYS A 99 14.303 -29.199 -15.885 1.00 24.04 H new ATOM 0 HZ1 LYS A 99 11.898 -29.097 -15.813 1.00 3.11 H new ATOM 0 HZ2 LYS A 99 12.472 -28.278 -17.185 1.00 3.11 H new ATOM 0 HZ3 LYS A 99 11.784 -29.822 -17.344 1.00 3.11 H new TER 1582 LYS A 99