USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 961 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 20 HIS : no HE2:sc= -38.6! C(o=-59!,f=-54!) USER MOD Set 1.2: A 38 HIS : no HD1:sc= -20.5! C(o=-59!,f=-55!) USER MOD Set 2.1: A 35 ASN : amide:sc= -29.9! C(o=-30!,f=-22!) USER MOD Set 2.2: A 37 THR OG1 : rot 170:sc= -0.23! USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 29 LYS NZ :NH3+ -137:sc= -6.7! (180deg=-11.3!) USER MOD Set 4.1: A 3 ASN : amide:sc= -9.04! C(o=-11!,f=0.0053!) USER MOD Set 4.2: A 4 GLN : amide:sc= -1.99! K(o=-11!,f=-0.62) USER MOD Single : A 2 SER OG : rot -26:sc= 0.47 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 35:sc= -1.8! USER MOD Single : A 10 TYR OH : rot 108:sc= -3.84! USER MOD Single : A 11 SER OG : rot 27:sc= -0.691! USER MOD Single : A 21 SER OG : rot -44:sc= -0.754 USER MOD Single : A 22 THR OG1 : rot 34:sc= 1.01 USER MOD Single : A 24 SER OG : rot -167:sc= -2.98! USER MOD Single : A 26 MET CE :methyl -177:sc= -1.72 (180deg=-1.82) USER MOD Single : A 27 LYS NZ :NH3+ 140:sc= 0.468 (180deg=-0.337) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -47! C(o=-47!,f=-53!) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -4.52! (180deg=-5.03!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 57:sc= -6.11! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= -0.583 (180deg=-3.17!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -4.85! C(o=-4.9!,f=-5.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.04! C(o=-5!,f=-2.2!) USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.61 (180deg=1.45) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -29.8! C(o=-30!,f=-32!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 81 ASN : amide:sc= -2.03! K(o=-2!,f=-0.024) USER MOD Single : A 84 LYS NZ :NH3+ -121:sc= -7.53! (180deg=-13.5!) USER MOD Single : A 85 GLN : amide:sc= -4.57! K(o=-4.6!,f=-1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -103:sc= 1.27 USER MOD Single : A 93 TYR OH : rot 92:sc= 1.26 USER MOD Single : A 95 GLN : amide:sc= -3.31! K(o=-3.3!,f=-0.57) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 130:sc= 0.24 USER MOD Single : A 104 GLN : amide:sc= -0.699 K(o=-0.7,f=0) USER MOD Single : A 105 THR OG1 : rot 129:sc= 0.96 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 110 SER OG : rot -61:sc= 0.376 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=0.47) USER MOD Single : A 118 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=0.3) USER MOD Single : A 119 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-0.37!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= -0.0817 (180deg=-1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -0.121 -7.245 9.101 1.00 1.00 N ATOM 2 CA SER A 2 -0.023 -5.766 8.938 1.00 1.00 C ATOM 3 C SER A 2 -1.415 -5.161 8.741 1.00 1.00 C ATOM 4 O SER A 2 -2.074 -5.405 7.749 1.00 1.00 O ATOM 5 CB SER A 2 0.832 -5.561 7.688 1.00 1.00 C ATOM 6 OG SER A 2 0.334 -6.381 6.639 1.00 1.00 O ATOM 0 HA SER A 2 0.411 -5.283 9.813 1.00 1.00 H new ATOM 0 HB2 SER A 2 0.812 -4.514 7.387 1.00 1.00 H new ATOM 0 HB3 SER A 2 1.871 -5.812 7.899 1.00 1.00 H new ATOM 0 HG SER A 2 -0.128 -7.156 7.021 1.00 1.00 H new ATOM 12 N ASN A 3 -1.868 -4.373 9.678 1.00 1.00 N ATOM 13 CA ASN A 3 -3.218 -3.753 9.542 1.00 1.00 C ATOM 14 C ASN A 3 -3.114 -2.422 8.794 1.00 1.00 C ATOM 15 O ASN A 3 -4.107 -1.794 8.484 1.00 1.00 O ATOM 16 CB ASN A 3 -3.696 -3.527 10.976 1.00 1.00 C ATOM 17 CG ASN A 3 -2.486 -3.367 11.899 1.00 1.00 C ATOM 18 OD1 ASN A 3 -2.552 -3.688 13.068 1.00 1.00 O ATOM 19 ND2 ASN A 3 -1.374 -2.881 11.418 1.00 1.00 N ATOM 0 H ASN A 3 -1.363 -4.132 10.531 1.00 1.00 H new ATOM 0 HA ASN A 3 -3.907 -4.381 8.978 1.00 1.00 H new ATOM 0 HB2 ASN A 3 -4.324 -2.638 11.025 1.00 1.00 H new ATOM 0 HB3 ASN A 3 -4.308 -4.368 11.303 1.00 1.00 H new ATOM 0 HD21 ASN A 3 -0.561 -2.771 12.024 1.00 1.00 H new ATOM 0 HD22 ASN A 3 -1.318 -2.611 10.436 1.00 1.00 H new ATOM 26 N GLN A 4 -1.918 -1.988 8.502 1.00 1.00 N ATOM 27 CA GLN A 4 -1.745 -0.698 7.773 1.00 1.00 C ATOM 28 C GLN A 4 -2.173 -0.850 6.311 1.00 1.00 C ATOM 29 O GLN A 4 -2.660 -1.884 5.901 1.00 1.00 O ATOM 30 CB GLN A 4 -0.251 -0.394 7.864 1.00 1.00 C ATOM 31 CG GLN A 4 0.104 0.006 9.298 1.00 1.00 C ATOM 32 CD GLN A 4 1.383 -0.715 9.728 1.00 1.00 C ATOM 33 OE1 GLN A 4 2.471 -0.206 9.548 1.00 1.00 O ATOM 34 NE2 GLN A 4 1.298 -1.888 10.293 1.00 1.00 N ATOM 0 H GLN A 4 -1.051 -2.472 8.737 1.00 1.00 H new ATOM 0 HA GLN A 4 -2.353 0.101 8.198 1.00 1.00 H new ATOM 0 HB2 GLN A 4 0.327 -1.268 7.566 1.00 1.00 H new ATOM 0 HB3 GLN A 4 0.010 0.410 7.176 1.00 1.00 H new ATOM 0 HG2 GLN A 4 0.243 1.085 9.362 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.714 -0.250 9.971 1.00 1.00 H new ATOM 0 HE21 GLN A 4 0.385 -2.316 10.445 1.00 1.00 H new ATOM 0 HE22 GLN A 4 2.145 -2.377 10.583 1.00 1.00 H new ATOM 43 N ILE A 5 -1.987 0.172 5.521 1.00 1.00 N ATOM 44 CA ILE A 5 -2.375 0.086 4.084 1.00 1.00 C ATOM 45 C ILE A 5 -1.127 0.183 3.200 1.00 1.00 C ATOM 46 O ILE A 5 -0.727 1.255 2.791 1.00 1.00 O ATOM 47 CB ILE A 5 -3.295 1.283 3.849 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.754 0.831 3.953 1.00 1.00 C ATOM 49 CG2 ILE A 5 -3.039 1.859 2.455 1.00 1.00 C ATOM 50 CD1 ILE A 5 -5.612 1.989 4.465 1.00 1.00 C ATOM 0 H ILE A 5 -1.583 1.063 5.808 1.00 1.00 H new ATOM 0 HA ILE A 5 -2.867 -0.856 3.841 1.00 1.00 H new ATOM 0 HB ILE A 5 -3.095 2.048 4.600 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -5.114 0.501 2.978 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.835 -0.021 4.628 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -3.696 2.713 2.288 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -2.000 2.180 2.379 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -3.239 1.095 1.703 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -6.651 1.667 4.539 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -5.257 2.298 5.448 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -5.541 2.828 3.773 1.00 1.00 H new ATOM 62 N TYR A 6 -0.509 -0.928 2.906 1.00 1.00 N ATOM 63 CA TYR A 6 0.713 -0.900 2.053 1.00 1.00 C ATOM 64 C TYR A 6 0.389 -0.324 0.672 1.00 1.00 C ATOM 65 O TYR A 6 -0.759 -0.185 0.299 1.00 1.00 O ATOM 66 CB TYR A 6 1.147 -2.362 1.937 1.00 1.00 C ATOM 67 CG TYR A 6 1.907 -2.761 3.179 1.00 1.00 C ATOM 68 CD1 TYR A 6 2.223 -1.800 4.146 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.296 -4.093 3.363 1.00 1.00 C ATOM 70 CE1 TYR A 6 2.928 -2.170 5.298 1.00 1.00 C ATOM 71 CE2 TYR A 6 3.002 -4.464 4.514 1.00 1.00 C ATOM 72 CZ TYR A 6 3.317 -3.502 5.482 1.00 1.00 C ATOM 73 OH TYR A 6 4.012 -3.867 6.617 1.00 1.00 O ATOM 0 H TYR A 6 -0.798 -1.855 3.220 1.00 1.00 H new ATOM 0 HA TYR A 6 1.497 -0.273 2.478 1.00 1.00 H new ATOM 0 HB2 TYR A 6 0.274 -3.003 1.810 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.773 -2.498 1.055 1.00 1.00 H new ATOM 0 HD1 TYR A 6 1.923 -0.772 4.004 1.00 1.00 H new ATOM 0 HD2 TYR A 6 2.052 -4.835 2.617 1.00 1.00 H new ATOM 0 HE1 TYR A 6 3.171 -1.428 6.044 1.00 1.00 H new ATOM 0 HE2 TYR A 6 3.303 -5.491 4.655 1.00 1.00 H new ATOM 0 HH TYR A 6 4.204 -4.828 6.588 1.00 1.00 H new ATOM 83 N SER A 7 1.395 0.009 -0.091 1.00 1.00 N ATOM 84 CA SER A 7 1.148 0.574 -1.449 1.00 1.00 C ATOM 85 C SER A 7 1.614 -0.415 -2.521 1.00 1.00 C ATOM 86 O SER A 7 2.584 -1.124 -2.345 1.00 1.00 O ATOM 87 CB SER A 7 1.980 1.854 -1.502 1.00 1.00 C ATOM 88 OG SER A 7 1.380 2.765 -2.414 1.00 1.00 O ATOM 0 H SER A 7 2.377 -0.086 0.167 1.00 1.00 H new ATOM 0 HA SER A 7 0.091 0.769 -1.632 1.00 1.00 H new ATOM 0 HB2 SER A 7 2.043 2.302 -0.510 1.00 1.00 H new ATOM 0 HB3 SER A 7 2.999 1.627 -1.814 1.00 1.00 H new ATOM 0 HG SER A 7 0.405 2.677 -2.371 1.00 1.00 H new ATOM 94 N ALA A 8 0.930 -0.468 -3.631 1.00 1.00 N ATOM 95 CA ALA A 8 1.336 -1.413 -4.711 1.00 1.00 C ATOM 96 C ALA A 8 0.955 -0.851 -6.083 1.00 1.00 C ATOM 97 O ALA A 8 0.084 -0.013 -6.201 1.00 1.00 O ATOM 98 CB ALA A 8 0.559 -2.698 -4.423 1.00 1.00 C ATOM 0 H ALA A 8 0.109 0.101 -3.837 1.00 1.00 H new ATOM 0 HA ALA A 8 2.413 -1.581 -4.728 1.00 1.00 H new ATOM 0 HB1 ALA A 8 0.803 -3.447 -5.176 1.00 1.00 H new ATOM 0 HB2 ALA A 8 0.830 -3.074 -3.436 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.511 -2.490 -4.451 1.00 1.00 H new ATOM 104 N ARG A 9 1.600 -1.309 -7.121 1.00 1.00 N ATOM 105 CA ARG A 9 1.275 -0.804 -8.486 1.00 1.00 C ATOM 106 C ARG A 9 1.349 -1.950 -9.499 1.00 1.00 C ATOM 107 O ARG A 9 2.358 -2.615 -9.626 1.00 1.00 O ATOM 108 CB ARG A 9 2.343 0.248 -8.787 1.00 1.00 C ATOM 109 CG ARG A 9 3.417 -0.358 -9.693 1.00 1.00 C ATOM 110 CD ARG A 9 4.162 0.761 -10.425 1.00 1.00 C ATOM 111 NE ARG A 9 3.372 1.993 -10.149 1.00 1.00 N ATOM 112 CZ ARG A 9 3.439 2.562 -8.976 1.00 1.00 C ATOM 113 NH1 ARG A 9 4.197 2.051 -8.046 1.00 1.00 N ATOM 114 NH2 ARG A 9 2.747 3.643 -8.735 1.00 1.00 N ATOM 0 H ARG A 9 2.339 -2.012 -7.083 1.00 1.00 H new ATOM 0 HA ARG A 9 0.269 -0.388 -8.545 1.00 1.00 H new ATOM 0 HB2 ARG A 9 1.890 1.113 -9.271 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.792 0.601 -7.859 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.117 -0.948 -9.101 1.00 1.00 H new ATOM 0 HG3 ARG A 9 2.959 -1.036 -10.413 1.00 1.00 H new ATOM 0 HD2 ARG A 9 5.185 0.858 -10.061 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.222 0.562 -11.495 1.00 1.00 H new ATOM 0 HE ARG A 9 2.779 2.392 -10.876 1.00 1.00 H new ATOM 0 HH11 ARG A 9 4.737 1.207 -8.235 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.249 2.495 -7.129 1.00 1.00 H new ATOM 0 HH21 ARG A 9 2.155 4.042 -9.463 1.00 1.00 H new ATOM 0 HH22 ARG A 9 2.799 4.088 -7.819 1.00 1.00 H new ATOM 127 N TYR A 10 0.287 -2.188 -10.221 1.00 1.00 N ATOM 128 CA TYR A 10 0.299 -3.293 -11.221 1.00 1.00 C ATOM 129 C TYR A 10 -0.427 -2.863 -12.498 1.00 1.00 C ATOM 130 O TYR A 10 -1.219 -1.942 -12.494 1.00 1.00 O ATOM 131 CB TYR A 10 -0.443 -4.447 -10.547 1.00 1.00 C ATOM 132 CG TYR A 10 0.039 -4.595 -9.124 1.00 1.00 C ATOM 133 CD1 TYR A 10 -0.130 -3.544 -8.214 1.00 1.00 C ATOM 134 CD2 TYR A 10 0.654 -5.783 -8.714 1.00 1.00 C ATOM 135 CE1 TYR A 10 0.316 -3.682 -6.894 1.00 1.00 C ATOM 136 CE2 TYR A 10 1.101 -5.922 -7.394 1.00 1.00 C ATOM 137 CZ TYR A 10 0.932 -4.871 -6.485 1.00 1.00 C ATOM 138 OH TYR A 10 1.371 -5.007 -5.183 1.00 1.00 O ATOM 0 H TYR A 10 -0.587 -1.665 -10.161 1.00 1.00 H new ATOM 0 HA TYR A 10 1.312 -3.573 -11.511 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -1.517 -4.260 -10.561 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.274 -5.373 -11.097 1.00 1.00 H new ATOM 0 HD1 TYR A 10 -0.604 -2.627 -8.530 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.784 -6.593 -9.416 1.00 1.00 H new ATOM 0 HE1 TYR A 10 0.185 -2.872 -6.192 1.00 1.00 H new ATOM 0 HE2 TYR A 10 1.576 -6.839 -7.078 1.00 1.00 H new ATOM 0 HH TYR A 10 0.786 -5.630 -4.704 1.00 1.00 H new ATOM 148 N SER A 11 -0.166 -3.528 -13.591 1.00 1.00 N ATOM 149 CA SER A 11 -0.844 -3.162 -14.868 1.00 1.00 C ATOM 150 C SER A 11 -0.690 -1.661 -15.141 1.00 1.00 C ATOM 151 O SER A 11 -1.588 -1.018 -15.648 1.00 1.00 O ATOM 152 CB SER A 11 -2.313 -3.522 -14.652 1.00 1.00 C ATOM 153 OG SER A 11 -3.134 -2.541 -15.267 1.00 1.00 O ATOM 0 H SER A 11 0.487 -4.309 -13.655 1.00 1.00 H new ATOM 0 HA SER A 11 -0.419 -3.683 -15.726 1.00 1.00 H new ATOM 0 HB2 SER A 11 -2.524 -4.505 -15.074 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.532 -3.579 -13.586 1.00 1.00 H new ATOM 0 HG SER A 11 -2.652 -2.135 -16.017 1.00 1.00 H new ATOM 159 N GLY A 12 0.442 -1.101 -14.810 1.00 1.00 N ATOM 160 CA GLY A 12 0.654 0.354 -15.052 1.00 1.00 C ATOM 161 C GLY A 12 -0.150 1.167 -14.034 1.00 1.00 C ATOM 162 O GLY A 12 0.012 2.365 -13.914 1.00 1.00 O ATOM 0 H GLY A 12 1.229 -1.589 -14.382 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.714 0.596 -14.970 1.00 1.00 H new ATOM 0 HA3 GLY A 12 0.345 0.613 -16.065 1.00 1.00 H new ATOM 166 N VAL A 13 -1.021 0.526 -13.307 1.00 1.00 N ATOM 167 CA VAL A 13 -1.846 1.258 -12.303 1.00 1.00 C ATOM 168 C VAL A 13 -1.119 1.320 -10.957 1.00 1.00 C ATOM 169 O VAL A 13 -0.337 0.453 -10.620 1.00 1.00 O ATOM 170 CB VAL A 13 -3.135 0.447 -12.181 1.00 1.00 C ATOM 171 CG1 VAL A 13 -4.235 1.322 -11.581 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.567 -0.032 -13.569 1.00 1.00 C ATOM 0 H VAL A 13 -1.199 -0.477 -13.364 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.039 2.288 -12.603 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.963 -0.413 -11.534 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -5.154 0.743 -11.494 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.928 1.666 -10.593 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -4.408 2.183 -12.227 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.487 -0.611 -13.484 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.739 0.830 -14.214 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.784 -0.656 -13.999 1.00 1.00 H new ATOM 182 N ASP A 14 -1.386 2.333 -10.179 1.00 1.00 N ATOM 183 CA ASP A 14 -0.727 2.451 -8.846 1.00 1.00 C ATOM 184 C ASP A 14 -1.756 2.190 -7.743 1.00 1.00 C ATOM 185 O ASP A 14 -2.773 2.851 -7.665 1.00 1.00 O ATOM 186 CB ASP A 14 -0.216 3.890 -8.777 1.00 1.00 C ATOM 187 CG ASP A 14 0.101 4.252 -7.325 1.00 1.00 C ATOM 188 OD1 ASP A 14 -0.718 3.959 -6.470 1.00 1.00 O ATOM 189 OD2 ASP A 14 1.157 4.815 -7.093 1.00 1.00 O ATOM 0 H ASP A 14 -2.034 3.086 -10.409 1.00 1.00 H new ATOM 0 HA ASP A 14 0.082 1.733 -8.713 1.00 1.00 H new ATOM 0 HB2 ASP A 14 0.676 4.000 -9.393 1.00 1.00 H new ATOM 0 HB3 ASP A 14 -0.966 4.573 -9.177 1.00 1.00 H new ATOM 194 N VAL A 15 -1.511 1.228 -6.898 1.00 1.00 N ATOM 195 CA VAL A 15 -2.493 0.932 -5.815 1.00 1.00 C ATOM 196 C VAL A 15 -1.777 0.461 -4.546 1.00 1.00 C ATOM 197 O VAL A 15 -0.571 0.325 -4.512 1.00 1.00 O ATOM 198 CB VAL A 15 -3.369 -0.188 -6.379 1.00 1.00 C ATOM 199 CG1 VAL A 15 -4.390 0.403 -7.352 1.00 1.00 C ATOM 200 CG2 VAL A 15 -2.488 -1.199 -7.117 1.00 1.00 C ATOM 0 H VAL A 15 -0.680 0.637 -6.909 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.072 1.813 -5.537 1.00 1.00 H new ATOM 0 HB VAL A 15 -3.892 -0.687 -5.563 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -5.014 -0.395 -7.754 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.017 1.125 -6.828 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -3.868 0.901 -8.169 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -3.110 -1.998 -7.520 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -1.966 -0.699 -7.933 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -1.759 -1.621 -6.424 1.00 1.00 H new ATOM 210 N TYR A 16 -2.522 0.208 -3.506 1.00 1.00 N ATOM 211 CA TYR A 16 -1.908 -0.263 -2.232 1.00 1.00 C ATOM 212 C TYR A 16 -2.556 -1.585 -1.811 1.00 1.00 C ATOM 213 O TYR A 16 -3.702 -1.842 -2.111 1.00 1.00 O ATOM 214 CB TYR A 16 -2.211 0.836 -1.214 1.00 1.00 C ATOM 215 CG TYR A 16 -2.545 2.116 -1.940 1.00 1.00 C ATOM 216 CD1 TYR A 16 -1.523 2.879 -2.519 1.00 1.00 C ATOM 217 CD2 TYR A 16 -3.874 2.541 -2.035 1.00 1.00 C ATOM 218 CE1 TYR A 16 -1.832 4.066 -3.193 1.00 1.00 C ATOM 219 CE2 TYR A 16 -4.184 3.728 -2.709 1.00 1.00 C ATOM 220 CZ TYR A 16 -3.162 4.492 -3.288 1.00 1.00 C ATOM 221 OH TYR A 16 -3.467 5.662 -3.952 1.00 1.00 O ATOM 0 H TYR A 16 -3.537 0.308 -3.484 1.00 1.00 H new ATOM 0 HA TYR A 16 -0.836 -0.441 -2.322 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -3.045 0.538 -0.578 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -1.351 0.989 -0.561 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.497 2.551 -2.445 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.662 1.953 -1.588 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -1.044 4.654 -3.640 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -5.211 4.055 -2.783 1.00 1.00 H new ATOM 0 HH TYR A 16 -4.435 5.810 -3.926 1.00 1.00 H new ATOM 231 N GLU A 17 -1.836 -2.427 -1.124 1.00 1.00 N ATOM 232 CA GLU A 17 -2.427 -3.729 -0.701 1.00 1.00 C ATOM 233 C GLU A 17 -2.427 -3.845 0.824 1.00 1.00 C ATOM 234 O GLU A 17 -1.393 -3.829 1.461 1.00 1.00 O ATOM 235 CB GLU A 17 -1.524 -4.796 -1.320 1.00 1.00 C ATOM 236 CG GLU A 17 -2.064 -5.186 -2.698 1.00 1.00 C ATOM 237 CD GLU A 17 -1.021 -6.026 -3.436 1.00 1.00 C ATOM 238 OE1 GLU A 17 0.133 -5.631 -3.444 1.00 1.00 O ATOM 239 OE2 GLU A 17 -1.394 -7.052 -3.982 1.00 1.00 O ATOM 0 H GLU A 17 -0.869 -2.272 -0.838 1.00 1.00 H new ATOM 0 HA GLU A 17 -3.463 -3.833 -1.025 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -0.506 -4.418 -1.411 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -1.482 -5.672 -0.673 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -2.991 -5.750 -2.591 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -2.300 -4.291 -3.274 1.00 1.00 H new ATOM 246 N PHE A 18 -3.587 -3.962 1.413 1.00 1.00 N ATOM 247 CA PHE A 18 -3.666 -4.079 2.896 1.00 1.00 C ATOM 248 C PHE A 18 -4.471 -5.321 3.283 1.00 1.00 C ATOM 249 O PHE A 18 -5.395 -5.712 2.597 1.00 1.00 O ATOM 250 CB PHE A 18 -4.390 -2.811 3.350 1.00 1.00 C ATOM 251 CG PHE A 18 -5.071 -2.170 2.164 1.00 1.00 C ATOM 252 CD1 PHE A 18 -4.329 -1.845 1.022 1.00 1.00 C ATOM 253 CD2 PHE A 18 -6.444 -1.903 2.206 1.00 1.00 C ATOM 254 CE1 PHE A 18 -4.960 -1.252 -0.078 1.00 1.00 C ATOM 255 CE2 PHE A 18 -7.076 -1.310 1.106 1.00 1.00 C ATOM 256 CZ PHE A 18 -6.334 -0.984 -0.036 1.00 1.00 C ATOM 0 H PHE A 18 -4.485 -3.982 0.929 1.00 1.00 H new ATOM 0 HA PHE A 18 -2.684 -4.179 3.358 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -5.125 -3.054 4.118 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -3.681 -2.114 3.796 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -3.269 -2.052 0.990 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.016 -2.154 3.087 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -4.387 -1.001 -0.959 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -8.136 -1.104 1.138 1.00 1.00 H new ATOM 0 HZ PHE A 18 -6.821 -0.526 -0.884 1.00 1.00 H new ATOM 266 N ILE A 19 -4.132 -5.946 4.377 1.00 1.00 N ATOM 267 CA ILE A 19 -4.885 -7.160 4.804 1.00 1.00 C ATOM 268 C ILE A 19 -6.182 -6.752 5.504 1.00 1.00 C ATOM 269 O ILE A 19 -6.189 -5.904 6.373 1.00 1.00 O ATOM 270 CB ILE A 19 -3.954 -7.887 5.775 1.00 1.00 C ATOM 271 CG1 ILE A 19 -2.502 -7.672 5.345 1.00 1.00 C ATOM 272 CG2 ILE A 19 -4.271 -9.383 5.764 1.00 1.00 C ATOM 273 CD1 ILE A 19 -2.281 -8.294 3.964 1.00 1.00 C ATOM 0 H ILE A 19 -3.368 -5.669 4.993 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.163 -7.793 3.961 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.099 -7.492 6.781 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -2.274 -6.606 5.316 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -1.826 -8.123 6.071 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -3.607 -9.901 6.456 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.306 -9.538 6.069 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -4.126 -9.778 4.759 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.246 -8.141 3.657 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -2.492 -9.362 4.008 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.947 -7.822 3.242 1.00 1.00 H new ATOM 285 N HIS A 20 -7.279 -7.350 5.131 1.00 1.00 N ATOM 286 CA HIS A 20 -8.575 -6.999 5.778 1.00 1.00 C ATOM 287 C HIS A 20 -9.507 -8.211 5.767 1.00 1.00 C ATOM 288 O HIS A 20 -9.091 -9.327 6.009 1.00 1.00 O ATOM 289 CB HIS A 20 -9.154 -5.869 4.924 1.00 1.00 C ATOM 290 CG HIS A 20 -9.573 -4.732 5.814 1.00 1.00 C ATOM 291 ND1 HIS A 20 -10.678 -4.812 6.647 1.00 1.00 N ATOM 292 CD2 HIS A 20 -9.045 -3.479 6.012 1.00 1.00 C ATOM 293 CE1 HIS A 20 -10.777 -3.641 7.302 1.00 1.00 C ATOM 294 NE2 HIS A 20 -9.808 -2.793 6.952 1.00 1.00 N ATOM 0 H HIS A 20 -7.335 -8.066 4.407 1.00 1.00 H new ATOM 0 HA HIS A 20 -8.452 -6.697 6.818 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -8.411 -5.526 4.204 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.009 -6.232 4.353 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -11.302 -5.613 6.745 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -8.171 -3.086 5.514 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -11.548 -3.415 8.024 1.00 1.00 H new ATOM 302 N SER A 21 -10.762 -8.007 5.471 1.00 1.00 N ATOM 303 CA SER A 21 -11.708 -9.157 5.433 1.00 1.00 C ATOM 304 C SER A 21 -11.291 -10.124 4.324 1.00 1.00 C ATOM 305 O SER A 21 -11.326 -11.327 4.487 1.00 1.00 O ATOM 306 CB SER A 21 -13.071 -8.538 5.122 1.00 1.00 C ATOM 307 OG SER A 21 -13.576 -7.905 6.292 1.00 1.00 O ATOM 0 H SER A 21 -11.171 -7.098 5.255 1.00 1.00 H new ATOM 0 HA SER A 21 -11.725 -9.720 6.366 1.00 1.00 H new ATOM 0 HB2 SER A 21 -12.978 -7.813 4.313 1.00 1.00 H new ATOM 0 HB3 SER A 21 -13.764 -9.308 4.783 1.00 1.00 H new ATOM 0 HG SER A 21 -13.429 -8.486 7.067 1.00 1.00 H new ATOM 313 N THR A 22 -10.879 -9.601 3.203 1.00 1.00 N ATOM 314 CA THR A 22 -10.437 -10.480 2.084 1.00 1.00 C ATOM 315 C THR A 22 -8.917 -10.630 2.130 1.00 1.00 C ATOM 316 O THR A 22 -8.302 -11.143 1.216 1.00 1.00 O ATOM 317 CB THR A 22 -10.869 -9.753 0.809 1.00 1.00 C ATOM 318 OG1 THR A 22 -9.868 -9.910 -0.185 1.00 1.00 O ATOM 319 CG2 THR A 22 -11.066 -8.266 1.109 1.00 1.00 C ATOM 0 H THR A 22 -10.829 -8.600 3.013 1.00 1.00 H new ATOM 0 HA THR A 22 -10.867 -11.480 2.138 1.00 1.00 H new ATOM 0 HB THR A 22 -11.807 -10.175 0.449 1.00 1.00 H new ATOM 0 HG1 THR A 22 -9.449 -10.791 -0.091 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.374 -7.749 0.200 1.00 1.00 H new ATOM 0 HG22 THR A 22 -11.835 -8.148 1.872 1.00 1.00 H new ATOM 0 HG23 THR A 22 -10.129 -7.840 1.469 1.00 1.00 H new ATOM 327 N GLY A 23 -8.307 -10.169 3.189 1.00 1.00 N ATOM 328 CA GLY A 23 -6.826 -10.265 3.297 1.00 1.00 C ATOM 329 C GLY A 23 -6.202 -8.974 2.764 1.00 1.00 C ATOM 330 O GLY A 23 -6.442 -7.900 3.280 1.00 1.00 O ATOM 0 H GLY A 23 -8.772 -9.730 3.983 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -6.534 -10.423 4.335 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -6.462 -11.121 2.729 1.00 1.00 H new ATOM 334 N SER A 24 -5.407 -9.068 1.735 1.00 1.00 N ATOM 335 CA SER A 24 -4.770 -7.844 1.169 1.00 1.00 C ATOM 336 C SER A 24 -5.791 -7.036 0.365 1.00 1.00 C ATOM 337 O SER A 24 -6.529 -7.572 -0.439 1.00 1.00 O ATOM 338 CB SER A 24 -3.659 -8.362 0.258 1.00 1.00 C ATOM 339 OG SER A 24 -4.218 -8.753 -0.989 1.00 1.00 O ATOM 0 H SER A 24 -5.170 -9.939 1.261 1.00 1.00 H new ATOM 0 HA SER A 24 -4.386 -7.183 1.946 1.00 1.00 H new ATOM 0 HB2 SER A 24 -2.907 -7.588 0.106 1.00 1.00 H new ATOM 0 HB3 SER A 24 -3.155 -9.208 0.725 1.00 1.00 H new ATOM 0 HG SER A 24 -3.555 -9.265 -1.498 1.00 1.00 H new ATOM 345 N ILE A 25 -5.838 -5.749 0.575 1.00 1.00 N ATOM 346 CA ILE A 25 -6.810 -4.904 -0.177 1.00 1.00 C ATOM 347 C ILE A 25 -6.063 -3.929 -1.089 1.00 1.00 C ATOM 348 O ILE A 25 -5.214 -3.180 -0.648 1.00 1.00 O ATOM 349 CB ILE A 25 -7.583 -4.141 0.897 1.00 1.00 C ATOM 350 CG1 ILE A 25 -8.007 -5.108 2.005 1.00 1.00 C ATOM 351 CG2 ILE A 25 -8.825 -3.502 0.275 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.211 -5.927 1.534 1.00 1.00 C ATOM 0 H ILE A 25 -5.245 -5.245 1.235 1.00 1.00 H new ATOM 0 HA ILE A 25 -7.469 -5.496 -0.812 1.00 1.00 H new ATOM 0 HB ILE A 25 -6.947 -3.363 1.318 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -7.180 -5.771 2.260 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.262 -4.554 2.908 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -9.377 -2.958 1.041 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -8.523 -2.813 -0.514 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -9.462 -4.280 -0.147 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.513 -6.616 2.323 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -10.038 -5.257 1.301 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -8.940 -6.493 0.642 1.00 1.00 H new ATOM 364 N MET A 26 -6.372 -3.927 -2.357 1.00 1.00 N ATOM 365 CA MET A 26 -5.674 -2.993 -3.285 1.00 1.00 C ATOM 366 C MET A 26 -6.675 -2.024 -3.918 1.00 1.00 C ATOM 367 O MET A 26 -7.652 -2.426 -4.518 1.00 1.00 O ATOM 368 CB MET A 26 -5.047 -3.890 -4.351 1.00 1.00 C ATOM 369 CG MET A 26 -3.825 -3.194 -4.953 1.00 1.00 C ATOM 370 SD MET A 26 -3.592 -3.750 -6.659 1.00 1.00 S ATOM 371 CE MET A 26 -2.687 -5.271 -6.280 1.00 1.00 C ATOM 0 H MET A 26 -7.074 -4.528 -2.789 1.00 1.00 H new ATOM 0 HA MET A 26 -4.928 -2.385 -2.773 1.00 1.00 H new ATOM 0 HB2 MET A 26 -4.755 -4.844 -3.912 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.776 -4.108 -5.132 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.960 -2.113 -4.927 1.00 1.00 H new ATOM 0 HG3 MET A 26 -2.937 -3.419 -4.362 1.00 1.00 H new ATOM 0 HE1 MET A 26 -2.390 -5.759 -7.209 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.798 -5.030 -5.697 1.00 1.00 H new ATOM 0 HE3 MET A 26 -3.327 -5.942 -5.706 1.00 1.00 H new ATOM 381 N LYS A 27 -6.439 -0.747 -3.785 1.00 1.00 N ATOM 382 CA LYS A 27 -7.376 0.253 -4.373 1.00 1.00 C ATOM 383 C LYS A 27 -6.845 0.756 -5.717 1.00 1.00 C ATOM 384 O LYS A 27 -5.665 0.683 -5.997 1.00 1.00 O ATOM 385 CB LYS A 27 -7.427 1.393 -3.356 1.00 1.00 C ATOM 386 CG LYS A 27 -6.056 1.553 -2.697 1.00 1.00 C ATOM 387 CD LYS A 27 -6.164 1.229 -1.206 1.00 1.00 C ATOM 388 CE LYS A 27 -5.929 2.501 -0.388 1.00 1.00 C ATOM 389 NZ LYS A 27 -6.346 2.150 0.997 1.00 1.00 N ATOM 0 H LYS A 27 -5.637 -0.352 -3.294 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.362 -0.170 -4.563 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -7.715 2.321 -3.849 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -8.184 1.186 -2.599 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.333 0.890 -3.172 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -5.692 2.571 -2.833 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.148 0.817 -0.983 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -5.432 0.469 -0.934 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -4.882 2.804 -0.420 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -6.514 3.334 -0.777 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -5.681 2.571 1.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -7.302 2.518 1.175 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -6.346 1.116 1.108 1.00 1.00 H new ATOM 402 N ARG A 28 -7.709 1.270 -6.551 1.00 1.00 N ATOM 403 CA ARG A 28 -7.255 1.781 -7.876 1.00 1.00 C ATOM 404 C ARG A 28 -6.750 3.221 -7.739 1.00 1.00 C ATOM 405 O ARG A 28 -7.395 4.061 -7.144 1.00 1.00 O ATOM 406 CB ARG A 28 -8.496 1.728 -8.768 1.00 1.00 C ATOM 407 CG ARG A 28 -8.303 0.666 -9.852 1.00 1.00 C ATOM 408 CD ARG A 28 -8.171 -0.713 -9.200 1.00 1.00 C ATOM 409 NE ARG A 28 -8.935 -0.612 -7.926 1.00 1.00 N ATOM 410 CZ ARG A 28 -8.872 -1.577 -7.049 1.00 1.00 C ATOM 411 NH1 ARG A 28 -8.141 -2.630 -7.291 1.00 1.00 N ATOM 412 NH2 ARG A 28 -9.538 -1.487 -5.931 1.00 1.00 N ATOM 0 H ARG A 28 -8.709 1.358 -6.372 1.00 1.00 H new ATOM 0 HA ARG A 28 -6.434 1.194 -8.288 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -9.377 1.496 -8.170 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.669 2.702 -9.226 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -9.149 0.675 -10.539 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.412 0.889 -10.439 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -8.577 -1.494 -9.843 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -7.126 -0.964 -9.015 1.00 1.00 H new ATOM 0 HE ARG A 28 -9.508 0.211 -7.738 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -7.619 -2.699 -8.165 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -8.091 -3.384 -6.606 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -10.108 -0.663 -5.742 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -9.489 -2.241 -5.246 1.00 1.00 H new ATOM 425 N LYS A 29 -5.600 3.511 -8.283 1.00 1.00 N ATOM 426 CA LYS A 29 -5.054 4.895 -8.179 1.00 1.00 C ATOM 427 C LYS A 29 -5.913 5.875 -8.982 1.00 1.00 C ATOM 428 O LYS A 29 -6.119 7.003 -8.583 1.00 1.00 O ATOM 429 CB LYS A 29 -3.649 4.810 -8.766 1.00 1.00 C ATOM 430 CG LYS A 29 -2.647 5.423 -7.786 1.00 1.00 C ATOM 431 CD LYS A 29 -2.964 6.908 -7.594 1.00 1.00 C ATOM 432 CE LYS A 29 -1.687 7.656 -7.203 1.00 1.00 C ATOM 433 NZ LYS A 29 -0.789 6.613 -6.636 1.00 1.00 N ATOM 0 H LYS A 29 -5.015 2.851 -8.795 1.00 1.00 H new ATOM 0 HA LYS A 29 -5.048 5.256 -7.150 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -3.389 3.770 -8.965 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -3.610 5.337 -9.720 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.694 4.904 -6.829 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.632 5.303 -8.164 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.375 7.325 -8.513 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.722 7.032 -6.821 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.233 8.141 -8.067 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -1.895 8.438 -6.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -0.329 6.980 -5.779 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -1.346 5.769 -6.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -0.064 6.361 -7.337 1.00 1.00 H new ATOM 446 N LYS A 30 -6.415 5.456 -10.111 1.00 1.00 N ATOM 447 CA LYS A 30 -7.256 6.370 -10.935 1.00 1.00 C ATOM 448 C LYS A 30 -8.245 7.123 -10.041 1.00 1.00 C ATOM 449 O LYS A 30 -8.156 8.324 -9.876 1.00 1.00 O ATOM 450 CB LYS A 30 -8.002 5.455 -11.906 1.00 1.00 C ATOM 451 CG LYS A 30 -7.115 5.162 -13.118 1.00 1.00 C ATOM 452 CD LYS A 30 -7.978 4.649 -14.270 1.00 1.00 C ATOM 453 CE LYS A 30 -8.116 3.127 -14.168 1.00 1.00 C ATOM 454 NZ LYS A 30 -9.567 2.857 -14.365 1.00 1.00 N ATOM 0 H LYS A 30 -6.280 4.522 -10.498 1.00 1.00 H new ATOM 0 HA LYS A 30 -6.662 7.120 -11.457 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.274 4.524 -11.408 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -8.930 5.928 -12.227 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -6.585 6.065 -13.421 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.359 4.421 -12.858 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -8.962 5.117 -14.237 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -7.527 4.921 -15.225 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.515 2.625 -14.926 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.775 2.764 -13.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.740 1.833 -14.309 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -10.114 3.342 -13.625 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -9.862 3.207 -15.299 1.00 1.00 H new ATOM 467 N ASP A 31 -9.184 6.428 -9.461 1.00 1.00 N ATOM 468 CA ASP A 31 -10.175 7.106 -8.577 1.00 1.00 C ATOM 469 C ASP A 31 -10.039 6.590 -7.142 1.00 1.00 C ATOM 470 O ASP A 31 -10.984 6.600 -6.377 1.00 1.00 O ATOM 471 CB ASP A 31 -11.542 6.735 -9.154 1.00 1.00 C ATOM 472 CG ASP A 31 -12.616 7.638 -8.545 1.00 1.00 C ATOM 473 OD1 ASP A 31 -13.042 7.353 -7.438 1.00 1.00 O ATOM 474 OD2 ASP A 31 -12.992 8.598 -9.195 1.00 1.00 O ATOM 0 H ASP A 31 -9.308 5.421 -9.560 1.00 1.00 H new ATOM 0 HA ASP A 31 -10.029 8.186 -8.543 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -11.532 6.844 -10.238 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.767 5.690 -8.941 1.00 1.00 H new ATOM 479 N ASP A 32 -8.874 6.138 -6.771 1.00 1.00 N ATOM 480 CA ASP A 32 -8.683 5.620 -5.386 1.00 1.00 C ATOM 481 C ASP A 32 -9.893 4.781 -4.966 1.00 1.00 C ATOM 482 O ASP A 32 -10.601 5.116 -4.037 1.00 1.00 O ATOM 483 CB ASP A 32 -8.563 6.867 -4.509 1.00 1.00 C ATOM 484 CG ASP A 32 -8.420 6.449 -3.045 1.00 1.00 C ATOM 485 OD1 ASP A 32 -7.404 5.859 -2.715 1.00 1.00 O ATOM 486 OD2 ASP A 32 -9.327 6.726 -2.278 1.00 1.00 O ATOM 0 H ASP A 32 -8.046 6.104 -7.366 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.806 4.978 -5.301 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -7.700 7.458 -4.815 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -9.443 7.498 -4.634 1.00 1.00 H new ATOM 491 N TRP A 33 -10.138 3.695 -5.646 1.00 1.00 N ATOM 492 CA TRP A 33 -11.303 2.837 -5.287 1.00 1.00 C ATOM 493 C TRP A 33 -10.842 1.634 -4.459 1.00 1.00 C ATOM 494 O TRP A 33 -9.694 1.238 -4.506 1.00 1.00 O ATOM 495 CB TRP A 33 -11.889 2.373 -6.623 1.00 1.00 C ATOM 496 CG TRP A 33 -11.238 3.115 -7.748 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.910 3.132 -8.005 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.863 3.941 -8.773 1.00 1.00 C ATOM 499 NE1 TRP A 33 -9.680 3.918 -9.120 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.853 4.439 -9.629 1.00 1.00 C ATOM 501 CE3 TRP A 33 -13.196 4.304 -9.039 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -11.153 5.266 -10.712 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -13.503 5.137 -10.128 1.00 1.00 C ATOM 504 CH2 TRP A 33 -12.483 5.617 -10.962 1.00 1.00 C ATOM 0 H TRP A 33 -9.582 3.364 -6.435 1.00 1.00 H new ATOM 0 HA TRP A 33 -12.037 3.375 -4.686 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.735 1.301 -6.745 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.965 2.544 -6.637 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -9.153 2.616 -7.433 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -8.757 4.091 -9.517 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.988 3.940 -8.402 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -10.364 5.632 -11.352 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -14.530 5.409 -10.324 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -12.725 6.258 -11.797 1.00 1.00 H new ATOM 515 N VAL A 34 -11.731 1.049 -3.704 1.00 1.00 N ATOM 516 CA VAL A 34 -11.347 -0.128 -2.874 1.00 1.00 C ATOM 517 C VAL A 34 -12.158 -1.356 -3.294 1.00 1.00 C ATOM 518 O VAL A 34 -13.251 -1.243 -3.813 1.00 1.00 O ATOM 519 CB VAL A 34 -11.685 0.272 -1.438 1.00 1.00 C ATOM 520 CG1 VAL A 34 -12.688 -0.724 -0.853 1.00 1.00 C ATOM 521 CG2 VAL A 34 -10.408 0.265 -0.594 1.00 1.00 C ATOM 0 H VAL A 34 -12.707 1.335 -3.626 1.00 1.00 H new ATOM 0 HA VAL A 34 -10.294 -0.388 -2.987 1.00 1.00 H new ATOM 0 HB VAL A 34 -12.120 1.271 -1.432 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -12.929 -0.439 0.171 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.597 -0.720 -1.454 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -12.253 -1.724 -0.858 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -10.647 0.550 0.430 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -9.973 -0.734 -0.600 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -9.693 0.974 -1.010 1.00 1.00 H new ATOM 531 N ASN A 35 -11.632 -2.530 -3.074 1.00 1.00 N ATOM 532 CA ASN A 35 -12.375 -3.764 -3.463 1.00 1.00 C ATOM 533 C ASN A 35 -13.709 -3.837 -2.716 1.00 1.00 C ATOM 534 O ASN A 35 -13.766 -4.217 -1.564 1.00 1.00 O ATOM 535 CB ASN A 35 -11.465 -4.920 -3.047 1.00 1.00 C ATOM 536 CG ASN A 35 -12.257 -6.228 -3.071 1.00 1.00 C ATOM 537 OD1 ASN A 35 -11.820 -7.227 -2.535 1.00 1.00 O ATOM 538 ND2 ASN A 35 -13.413 -6.265 -3.675 1.00 1.00 N ATOM 0 H ASN A 35 -10.722 -2.689 -2.643 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.606 -3.788 -4.528 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.612 -4.987 -3.723 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -11.067 -4.742 -2.048 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -13.949 -7.132 -3.697 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -13.780 -5.427 -4.125 1.00 1.00 H new ATOM 545 N ALA A 36 -14.785 -3.476 -3.363 1.00 1.00 N ATOM 546 CA ALA A 36 -16.114 -3.529 -2.689 1.00 1.00 C ATOM 547 C ALA A 36 -16.195 -4.749 -1.767 1.00 1.00 C ATOM 548 O ALA A 36 -16.926 -4.755 -0.796 1.00 1.00 O ATOM 549 CB ALA A 36 -17.130 -3.646 -3.823 1.00 1.00 C ATOM 0 H ALA A 36 -14.801 -3.147 -4.328 1.00 1.00 H new ATOM 0 HA ALA A 36 -16.295 -2.651 -2.068 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -18.136 -3.691 -3.407 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -17.046 -2.778 -4.478 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.934 -4.553 -4.395 1.00 1.00 H new ATOM 555 N THR A 37 -15.448 -5.782 -2.054 1.00 1.00 N ATOM 556 CA THR A 37 -15.492 -6.989 -1.181 1.00 1.00 C ATOM 557 C THR A 37 -15.068 -6.610 0.238 1.00 1.00 C ATOM 558 O THR A 37 -15.687 -7.001 1.208 1.00 1.00 O ATOM 559 CB THR A 37 -14.495 -7.973 -1.795 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.764 -8.115 -3.183 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.630 -9.330 -1.103 1.00 1.00 C ATOM 0 H THR A 37 -14.813 -5.842 -2.850 1.00 1.00 H new ATOM 0 HA THR A 37 -16.491 -7.421 -1.120 1.00 1.00 H new ATOM 0 HB THR A 37 -13.481 -7.598 -1.661 1.00 1.00 H new ATOM 0 HG1 THR A 37 -14.035 -8.614 -3.608 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.920 -10.033 -1.539 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.422 -9.218 -0.039 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.644 -9.708 -1.237 1.00 1.00 H new ATOM 569 N HIS A 38 -14.029 -5.832 0.365 1.00 1.00 N ATOM 570 CA HIS A 38 -13.583 -5.407 1.721 1.00 1.00 C ATOM 571 C HIS A 38 -14.675 -4.544 2.351 1.00 1.00 C ATOM 572 O HIS A 38 -14.818 -4.474 3.555 1.00 1.00 O ATOM 573 CB HIS A 38 -12.312 -4.591 1.488 1.00 1.00 C ATOM 574 CG HIS A 38 -12.157 -3.579 2.590 1.00 1.00 C ATOM 575 ND1 HIS A 38 -12.388 -2.227 2.390 1.00 1.00 N ATOM 576 CD2 HIS A 38 -11.795 -3.708 3.908 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.165 -1.602 3.561 1.00 1.00 C ATOM 578 NE2 HIS A 38 -11.801 -2.457 4.519 1.00 1.00 N ATOM 0 H HIS A 38 -13.471 -5.473 -0.410 1.00 1.00 H new ATOM 0 HA HIS A 38 -13.395 -6.245 2.392 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.444 -5.250 1.460 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -12.362 -4.088 0.522 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -11.544 -4.638 4.396 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -12.268 -0.537 3.708 1.00 1.00 H new ATOM 0 HE2 HIS A 38 -11.576 -2.240 5.490 1.00 1.00 H new ATOM 586 N ILE A 39 -15.454 -3.894 1.530 1.00 1.00 N ATOM 587 CA ILE A 39 -16.556 -3.037 2.048 1.00 1.00 C ATOM 588 C ILE A 39 -17.835 -3.867 2.178 1.00 1.00 C ATOM 589 O ILE A 39 -18.481 -3.879 3.208 1.00 1.00 O ATOM 590 CB ILE A 39 -16.728 -1.948 0.989 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.899 -0.723 1.380 1.00 1.00 C ATOM 592 CG2 ILE A 39 -18.202 -1.556 0.888 1.00 1.00 C ATOM 593 CD1 ILE A 39 -14.598 -0.716 0.574 1.00 1.00 C ATOM 0 H ILE A 39 -15.373 -3.921 0.514 1.00 1.00 H new ATOM 0 HA ILE A 39 -16.342 -2.619 3.032 1.00 1.00 H new ATOM 0 HB ILE A 39 -16.389 -2.325 0.024 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -16.464 0.189 1.189 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -15.679 -0.744 2.447 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -18.321 -0.780 0.132 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.792 -2.429 0.608 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -18.545 -1.180 1.852 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -14.004 0.155 0.849 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -14.033 -1.623 0.788 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.830 -0.675 -0.490 1.00 1.00 H new ATOM 605 N LEU A 40 -18.198 -4.567 1.139 1.00 1.00 N ATOM 606 CA LEU A 40 -19.427 -5.408 1.192 1.00 1.00 C ATOM 607 C LEU A 40 -19.072 -6.819 1.671 1.00 1.00 C ATOM 608 O LEU A 40 -19.698 -7.359 2.561 1.00 1.00 O ATOM 609 CB LEU A 40 -19.948 -5.443 -0.245 1.00 1.00 C ATOM 610 CG LEU A 40 -20.669 -4.132 -0.558 1.00 1.00 C ATOM 611 CD1 LEU A 40 -19.666 -3.116 -1.108 1.00 1.00 C ATOM 612 CD2 LEU A 40 -21.758 -4.388 -1.602 1.00 1.00 C ATOM 0 H LEU A 40 -17.695 -4.593 0.252 1.00 1.00 H new ATOM 0 HA LEU A 40 -20.172 -5.013 1.882 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -19.121 -5.590 -0.939 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -20.628 -6.285 -0.376 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.121 -3.739 0.353 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -20.180 -2.181 -1.331 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -18.888 -2.934 -0.366 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -19.214 -3.508 -2.019 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -22.273 -3.454 -1.827 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -21.304 -4.780 -2.512 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -22.473 -5.112 -1.212 1.00 1.00 H new ATOM 624 N LYS A 41 -18.067 -7.416 1.089 1.00 1.00 N ATOM 625 CA LYS A 41 -17.668 -8.790 1.512 1.00 1.00 C ATOM 626 C LYS A 41 -17.140 -8.759 2.948 1.00 1.00 C ATOM 627 O LYS A 41 -17.182 -9.744 3.658 1.00 1.00 O ATOM 628 CB LYS A 41 -16.560 -9.199 0.540 1.00 1.00 C ATOM 629 CG LYS A 41 -15.419 -9.860 1.316 1.00 1.00 C ATOM 630 CD LYS A 41 -15.263 -11.311 0.858 1.00 1.00 C ATOM 631 CE LYS A 41 -13.807 -11.569 0.462 1.00 1.00 C ATOM 632 NZ LYS A 41 -13.519 -12.952 0.934 1.00 1.00 N ATOM 0 H LYS A 41 -17.505 -7.012 0.339 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.502 -9.491 1.492 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.953 -9.888 -0.207 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -16.191 -8.325 0.004 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -14.490 -9.314 1.152 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -15.625 -9.825 2.386 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -15.559 -11.990 1.658 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -15.921 -11.509 0.012 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -13.670 -11.483 -0.616 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -13.137 -10.846 0.927 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -12.537 -13.202 0.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -13.651 -13.002 1.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -14.167 -13.619 0.469 1.00 1.00 H new ATOM 645 N ALA A 42 -16.649 -7.631 3.378 1.00 1.00 N ATOM 646 CA ALA A 42 -16.124 -7.528 4.769 1.00 1.00 C ATOM 647 C ALA A 42 -17.280 -7.635 5.766 1.00 1.00 C ATOM 648 O ALA A 42 -17.090 -7.955 6.923 1.00 1.00 O ATOM 649 CB ALA A 42 -15.472 -6.148 4.849 1.00 1.00 C ATOM 0 H ALA A 42 -16.588 -6.775 2.827 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.416 -8.322 5.007 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -15.061 -5.997 5.847 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.671 -6.081 4.112 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -16.218 -5.380 4.645 1.00 1.00 H new ATOM 655 N ALA A 43 -18.477 -7.367 5.321 1.00 1.00 N ATOM 656 CA ALA A 43 -19.650 -7.450 6.238 1.00 1.00 C ATOM 657 C ALA A 43 -20.613 -8.547 5.776 1.00 1.00 C ATOM 658 O ALA A 43 -21.625 -8.796 6.400 1.00 1.00 O ATOM 659 CB ALA A 43 -20.317 -6.078 6.149 1.00 1.00 C ATOM 0 H ALA A 43 -18.694 -7.094 4.362 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.358 -7.698 7.258 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.193 -6.056 6.798 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -19.612 -5.309 6.466 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.623 -5.888 5.120 1.00 1.00 H new ATOM 665 N ASN A 44 -20.313 -9.202 4.687 1.00 1.00 N ATOM 666 CA ASN A 44 -21.224 -10.278 4.197 1.00 1.00 C ATOM 667 C ASN A 44 -20.420 -11.406 3.545 1.00 1.00 C ATOM 668 O ASN A 44 -20.897 -12.514 3.397 1.00 1.00 O ATOM 669 CB ASN A 44 -22.120 -9.595 3.165 1.00 1.00 C ATOM 670 CG ASN A 44 -21.511 -9.760 1.771 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.686 -10.782 1.136 1.00 1.00 O ATOM 672 ND2 ASN A 44 -20.799 -8.792 1.264 1.00 1.00 N ATOM 0 H ASN A 44 -19.482 -9.041 4.118 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.799 -10.729 5.006 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -23.119 -10.030 3.191 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -22.227 -8.537 3.404 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -20.389 -8.893 0.335 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -20.652 -7.934 1.796 1.00 1.00 H new ATOM 679 N PHE A 45 -19.207 -11.134 3.150 1.00 1.00 N ATOM 680 CA PHE A 45 -18.379 -12.192 2.503 1.00 1.00 C ATOM 681 C PHE A 45 -18.704 -12.269 1.008 1.00 1.00 C ATOM 682 O PHE A 45 -19.677 -11.706 0.547 1.00 1.00 O ATOM 683 CB PHE A 45 -18.770 -13.493 3.205 1.00 1.00 C ATOM 684 CG PHE A 45 -18.288 -13.458 4.636 1.00 1.00 C ATOM 685 CD1 PHE A 45 -17.892 -12.246 5.213 1.00 1.00 C ATOM 686 CD2 PHE A 45 -18.236 -14.640 5.385 1.00 1.00 C ATOM 687 CE1 PHE A 45 -17.445 -12.214 6.539 1.00 1.00 C ATOM 688 CE2 PHE A 45 -17.789 -14.608 6.712 1.00 1.00 C ATOM 689 CZ PHE A 45 -17.392 -13.396 7.288 1.00 1.00 C ATOM 0 H PHE A 45 -18.753 -10.226 3.247 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.311 -11.992 2.590 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -19.852 -13.622 3.178 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -18.334 -14.345 2.684 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -17.931 -11.335 4.635 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -18.540 -15.576 4.940 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -17.141 -11.278 6.984 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -17.751 -15.519 7.291 1.00 1.00 H new ATOM 0 HZ PHE A 45 -17.045 -13.372 8.310 1.00 1.00 H new ATOM 699 N ALA A 46 -17.898 -12.957 0.247 1.00 1.00 N ATOM 700 CA ALA A 46 -18.166 -13.058 -1.217 1.00 1.00 C ATOM 701 C ALA A 46 -18.973 -14.318 -1.531 1.00 1.00 C ATOM 702 O ALA A 46 -18.432 -15.382 -1.755 1.00 1.00 O ATOM 703 CB ALA A 46 -16.785 -13.127 -1.871 1.00 1.00 C ATOM 0 H ALA A 46 -17.068 -13.452 0.573 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.750 -12.214 -1.584 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.898 -13.203 -2.952 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -16.222 -12.226 -1.627 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -16.250 -14.001 -1.500 1.00 1.00 H new ATOM 709 N LYS A 47 -20.269 -14.192 -1.562 1.00 1.00 N ATOM 710 CA LYS A 47 -21.140 -15.359 -1.874 1.00 1.00 C ATOM 711 C LYS A 47 -22.176 -14.934 -2.912 1.00 1.00 C ATOM 712 O LYS A 47 -22.063 -13.880 -3.506 1.00 1.00 O ATOM 713 CB LYS A 47 -21.815 -15.725 -0.552 1.00 1.00 C ATOM 714 CG LYS A 47 -23.038 -16.602 -0.828 1.00 1.00 C ATOM 715 CD LYS A 47 -23.565 -17.176 0.488 1.00 1.00 C ATOM 716 CE LYS A 47 -24.965 -17.752 0.271 1.00 1.00 C ATOM 717 NZ LYS A 47 -25.405 -17.204 -1.043 1.00 1.00 N ATOM 0 H LYS A 47 -20.768 -13.321 -1.383 1.00 1.00 H new ATOM 0 HA LYS A 47 -20.588 -16.207 -2.280 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -21.113 -16.254 0.093 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -22.115 -14.821 -0.022 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -23.815 -16.016 -1.318 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -22.772 -17.411 -1.509 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -22.893 -17.953 0.853 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -23.595 -16.397 1.250 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -24.946 -18.842 0.258 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -25.643 -17.454 1.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -26.395 -17.470 -1.216 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -25.322 -16.167 -1.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -24.805 -17.591 -1.799 1.00 1.00 H new ATOM 730 N ALA A 48 -23.192 -15.719 -3.134 1.00 1.00 N ATOM 731 CA ALA A 48 -24.211 -15.301 -4.134 1.00 1.00 C ATOM 732 C ALA A 48 -24.662 -13.887 -3.790 1.00 1.00 C ATOM 733 O ALA A 48 -25.075 -13.124 -4.641 1.00 1.00 O ATOM 734 CB ALA A 48 -25.362 -16.296 -3.983 1.00 1.00 C ATOM 0 H ALA A 48 -23.360 -16.615 -2.676 1.00 1.00 H new ATOM 0 HA ALA A 48 -23.837 -15.297 -5.158 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -26.152 -16.048 -4.692 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.999 -17.305 -4.182 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -25.756 -16.245 -2.968 1.00 1.00 H new ATOM 740 N LYS A 49 -24.547 -13.522 -2.543 1.00 1.00 N ATOM 741 CA LYS A 49 -24.925 -12.145 -2.133 1.00 1.00 C ATOM 742 C LYS A 49 -23.935 -11.153 -2.746 1.00 1.00 C ATOM 743 O LYS A 49 -24.317 -10.185 -3.375 1.00 1.00 O ATOM 744 CB LYS A 49 -24.819 -12.141 -0.607 1.00 1.00 C ATOM 745 CG LYS A 49 -26.221 -12.190 0.003 1.00 1.00 C ATOM 746 CD LYS A 49 -26.351 -13.432 0.888 1.00 1.00 C ATOM 747 CE LYS A 49 -27.749 -13.475 1.507 1.00 1.00 C ATOM 748 NZ LYS A 49 -28.098 -14.921 1.570 1.00 1.00 N ATOM 0 H LYS A 49 -24.207 -14.121 -1.791 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.924 -11.861 -2.463 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -24.234 -12.997 -0.270 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.296 -11.246 -0.271 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.405 -11.291 0.591 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -26.972 -12.213 -0.787 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.175 -14.332 0.298 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -25.595 -13.413 1.673 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -27.755 -13.024 2.499 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.466 -12.922 0.901 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -29.045 -15.032 1.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -28.091 -15.322 0.610 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -27.402 -15.421 2.159 1.00 1.00 H new ATOM 761 N ARG A 50 -22.658 -11.392 -2.570 1.00 1.00 N ATOM 762 CA ARG A 50 -21.644 -10.465 -3.145 1.00 1.00 C ATOM 763 C ARG A 50 -21.785 -10.418 -4.665 1.00 1.00 C ATOM 764 O ARG A 50 -21.453 -9.436 -5.298 1.00 1.00 O ATOM 765 CB ARG A 50 -20.292 -11.059 -2.748 1.00 1.00 C ATOM 766 CG ARG A 50 -19.374 -9.944 -2.242 1.00 1.00 C ATOM 767 CD ARG A 50 -19.356 -9.952 -0.712 1.00 1.00 C ATOM 768 NE ARG A 50 -20.708 -10.432 -0.315 1.00 1.00 N ATOM 769 CZ ARG A 50 -21.755 -9.683 -0.528 1.00 1.00 C ATOM 770 NH1 ARG A 50 -21.616 -8.512 -1.087 1.00 1.00 N ATOM 771 NH2 ARG A 50 -22.940 -10.103 -0.180 1.00 1.00 N ATOM 0 H ARG A 50 -22.279 -12.186 -2.055 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.760 -9.444 -2.781 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -20.428 -11.813 -1.973 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -19.837 -11.559 -3.603 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -18.365 -10.086 -2.629 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -19.722 -8.978 -2.607 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -18.575 -10.610 -0.330 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -19.158 -8.957 -0.314 1.00 1.00 H new ATOM 0 HE ARG A 50 -20.816 -11.347 0.124 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -20.689 -8.183 -1.357 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -22.434 -7.926 -1.254 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -23.048 -11.017 0.259 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -23.758 -9.517 -0.347 1.00 1.00 H new ATOM 784 N THR A 51 -22.289 -11.466 -5.258 1.00 1.00 N ATOM 785 CA THR A 51 -22.462 -11.467 -6.736 1.00 1.00 C ATOM 786 C THR A 51 -23.517 -10.430 -7.120 1.00 1.00 C ATOM 787 O THR A 51 -23.399 -9.744 -8.115 1.00 1.00 O ATOM 788 CB THR A 51 -22.941 -12.878 -7.083 1.00 1.00 C ATOM 789 OG1 THR A 51 -23.558 -13.459 -5.943 1.00 1.00 O ATOM 790 CG2 THR A 51 -21.747 -13.732 -7.512 1.00 1.00 C ATOM 0 H THR A 51 -22.587 -12.318 -4.784 1.00 1.00 H new ATOM 0 HA THR A 51 -21.545 -11.216 -7.269 1.00 1.00 H new ATOM 0 HB THR A 51 -23.661 -12.829 -7.900 1.00 1.00 H new ATOM 0 HG1 THR A 51 -24.290 -12.883 -5.638 1.00 1.00 H new ATOM 0 HG21 THR A 51 -22.089 -14.737 -7.759 1.00 1.00 H new ATOM 0 HG22 THR A 51 -21.275 -13.284 -8.386 1.00 1.00 H new ATOM 0 HG23 THR A 51 -21.025 -13.784 -6.697 1.00 1.00 H new ATOM 798 N ARG A 52 -24.541 -10.303 -6.322 1.00 1.00 N ATOM 799 CA ARG A 52 -25.601 -9.299 -6.623 1.00 1.00 C ATOM 800 C ARG A 52 -25.300 -8.000 -5.874 1.00 1.00 C ATOM 801 O ARG A 52 -25.124 -6.954 -6.466 1.00 1.00 O ATOM 802 CB ARG A 52 -26.899 -9.927 -6.115 1.00 1.00 C ATOM 803 CG ARG A 52 -28.083 -9.356 -6.897 1.00 1.00 C ATOM 804 CD ARG A 52 -29.342 -10.170 -6.586 1.00 1.00 C ATOM 805 NE ARG A 52 -28.893 -11.590 -6.595 1.00 1.00 N ATOM 806 CZ ARG A 52 -29.695 -12.524 -7.031 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.888 -12.213 -7.458 1.00 1.00 N ATOM 808 NH2 ARG A 52 -29.302 -13.768 -7.038 1.00 1.00 N ATOM 0 H ARG A 52 -24.690 -10.851 -5.475 1.00 1.00 H new ATOM 0 HA ARG A 52 -25.662 -9.056 -7.684 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.861 -11.010 -6.231 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -27.021 -9.725 -5.051 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -28.238 -8.311 -6.630 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -27.874 -9.385 -7.966 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.761 -9.895 -5.618 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -30.119 -9.997 -7.331 1.00 1.00 H new ATOM 0 HE ARG A 52 -27.960 -11.833 -6.261 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -31.195 -11.240 -7.451 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -31.514 -12.943 -7.798 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -28.369 -14.010 -6.703 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -29.927 -14.498 -7.378 1.00 1.00 H new ATOM 821 N ILE A 53 -25.241 -8.062 -4.572 1.00 1.00 N ATOM 822 CA ILE A 53 -24.951 -6.834 -3.780 1.00 1.00 C ATOM 823 C ILE A 53 -23.778 -6.076 -4.408 1.00 1.00 C ATOM 824 O ILE A 53 -23.836 -4.879 -4.604 1.00 1.00 O ATOM 825 CB ILE A 53 -24.579 -7.337 -2.386 1.00 1.00 C ATOM 826 CG1 ILE A 53 -25.456 -8.538 -2.026 1.00 1.00 C ATOM 827 CG2 ILE A 53 -24.803 -6.220 -1.363 1.00 1.00 C ATOM 828 CD1 ILE A 53 -26.260 -8.224 -0.762 1.00 1.00 C ATOM 0 H ILE A 53 -25.381 -8.910 -4.023 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.798 -6.149 -3.749 1.00 1.00 H new ATOM 0 HB ILE A 53 -23.531 -7.635 -2.376 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -26.130 -8.769 -2.850 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -24.835 -9.420 -1.865 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -24.538 -6.579 -0.369 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -24.180 -5.363 -1.618 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -25.851 -5.922 -1.373 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -26.885 -9.080 -0.506 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -25.577 -8.014 0.061 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -26.892 -7.354 -0.940 1.00 1.00 H new ATOM 840 N LEU A 54 -22.723 -6.767 -4.748 1.00 1.00 N ATOM 841 CA LEU A 54 -21.564 -6.080 -5.389 1.00 1.00 C ATOM 842 C LEU A 54 -21.969 -5.596 -6.782 1.00 1.00 C ATOM 843 O LEU A 54 -21.885 -4.425 -7.099 1.00 1.00 O ATOM 844 CB LEU A 54 -20.468 -7.141 -5.483 1.00 1.00 C ATOM 845 CG LEU A 54 -19.762 -7.267 -4.132 1.00 1.00 C ATOM 846 CD1 LEU A 54 -20.800 -7.250 -3.009 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.983 -8.583 -4.086 1.00 1.00 C ATOM 0 H LEU A 54 -22.613 -7.772 -4.611 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.227 -5.210 -4.826 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.899 -8.100 -5.771 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -19.750 -6.870 -6.257 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.074 -6.431 -4.002 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -20.296 -7.340 -2.047 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -21.356 -6.313 -3.042 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -21.489 -8.085 -3.137 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -18.479 -8.674 -3.124 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -19.671 -9.418 -4.216 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.243 -8.596 -4.886 1.00 1.00 H new ATOM 859 N GLU A 55 -22.407 -6.500 -7.616 1.00 1.00 N ATOM 860 CA GLU A 55 -22.818 -6.114 -8.995 1.00 1.00 C ATOM 861 C GLU A 55 -23.822 -4.961 -8.939 1.00 1.00 C ATOM 862 O GLU A 55 -23.707 -3.992 -9.661 1.00 1.00 O ATOM 863 CB GLU A 55 -23.474 -7.366 -9.579 1.00 1.00 C ATOM 864 CG GLU A 55 -22.811 -7.717 -10.911 1.00 1.00 C ATOM 865 CD GLU A 55 -21.756 -8.802 -10.687 1.00 1.00 C ATOM 866 OE1 GLU A 55 -20.804 -8.538 -9.973 1.00 1.00 O ATOM 867 OE2 GLU A 55 -21.920 -9.880 -11.234 1.00 1.00 O ATOM 0 H GLU A 55 -22.498 -7.493 -7.400 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.976 -5.777 -9.599 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -23.377 -8.199 -8.882 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -24.541 -7.196 -9.726 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -23.561 -8.065 -11.622 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -22.349 -6.830 -11.344 1.00 1.00 H new ATOM 874 N LYS A 56 -24.799 -5.049 -8.079 1.00 1.00 N ATOM 875 CA LYS A 56 -25.795 -3.946 -7.978 1.00 1.00 C ATOM 876 C LYS A 56 -25.157 -2.737 -7.292 1.00 1.00 C ATOM 877 O LYS A 56 -25.414 -1.603 -7.645 1.00 1.00 O ATOM 878 CB LYS A 56 -26.933 -4.512 -7.127 1.00 1.00 C ATOM 879 CG LYS A 56 -26.523 -4.496 -5.652 1.00 1.00 C ATOM 880 CD LYS A 56 -27.723 -4.092 -4.793 1.00 1.00 C ATOM 881 CE LYS A 56 -27.755 -2.570 -4.644 1.00 1.00 C ATOM 882 NZ LYS A 56 -27.364 -2.314 -3.230 1.00 1.00 N ATOM 0 H LYS A 56 -24.950 -5.833 -7.445 1.00 1.00 H new ATOM 0 HA LYS A 56 -26.151 -3.613 -8.953 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.838 -3.921 -7.271 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -27.164 -5.530 -7.440 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.163 -5.480 -5.353 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -25.701 -3.796 -5.500 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.647 -4.442 -5.253 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -27.656 -4.563 -3.812 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -27.064 -2.091 -5.338 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -28.748 -2.173 -4.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -27.363 -1.290 -3.050 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -28.043 -2.777 -2.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -26.412 -2.697 -3.058 1.00 1.00 H new ATOM 895 N GLU A 57 -24.319 -2.972 -6.322 1.00 1.00 N ATOM 896 CA GLU A 57 -23.654 -1.838 -5.624 1.00 1.00 C ATOM 897 C GLU A 57 -22.573 -1.243 -6.528 1.00 1.00 C ATOM 898 O GLU A 57 -22.481 -0.044 -6.698 1.00 1.00 O ATOM 899 CB GLU A 57 -23.029 -2.450 -4.370 1.00 1.00 C ATOM 900 CG GLU A 57 -21.506 -2.454 -4.508 1.00 1.00 C ATOM 901 CD GLU A 57 -20.940 -1.141 -3.963 1.00 1.00 C ATOM 902 OE1 GLU A 57 -21.715 -0.216 -3.783 1.00 1.00 O ATOM 903 OE2 GLU A 57 -19.743 -1.083 -3.736 1.00 1.00 O ATOM 0 H GLU A 57 -24.066 -3.900 -5.983 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.348 -1.035 -5.375 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.323 -1.880 -3.489 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -23.394 -3.467 -4.228 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -21.083 -3.298 -3.963 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -21.225 -2.577 -5.554 1.00 1.00 H new ATOM 910 N VAL A 58 -21.756 -2.076 -7.113 1.00 1.00 N ATOM 911 CA VAL A 58 -20.683 -1.561 -8.009 1.00 1.00 C ATOM 912 C VAL A 58 -21.215 -1.406 -9.437 1.00 1.00 C ATOM 913 O VAL A 58 -20.963 -0.417 -10.097 1.00 1.00 O ATOM 914 CB VAL A 58 -19.574 -2.614 -7.961 1.00 1.00 C ATOM 915 CG1 VAL A 58 -18.371 -2.055 -7.200 1.00 1.00 C ATOM 916 CG2 VAL A 58 -20.085 -3.868 -7.248 1.00 1.00 C ATOM 0 H VAL A 58 -21.785 -3.090 -7.009 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.323 -0.581 -7.694 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.277 -2.870 -8.978 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -17.581 -2.805 -7.166 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -18.002 -1.163 -7.707 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -18.671 -1.798 -6.184 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -19.293 -4.616 -7.215 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -20.385 -3.612 -6.232 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -20.942 -4.270 -7.788 1.00 1.00 H new ATOM 926 N LEU A 59 -21.947 -2.375 -9.923 1.00 1.00 N ATOM 927 CA LEU A 59 -22.484 -2.266 -11.310 1.00 1.00 C ATOM 928 C LEU A 59 -22.992 -0.845 -11.558 1.00 1.00 C ATOM 929 O LEU A 59 -22.691 -0.234 -12.565 1.00 1.00 O ATOM 930 CB LEU A 59 -23.635 -3.266 -11.382 1.00 1.00 C ATOM 931 CG LEU A 59 -24.258 -3.214 -12.777 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.864 -1.828 -13.010 1.00 1.00 C ATOM 933 CD2 LEU A 59 -23.174 -3.476 -13.825 1.00 1.00 C ATOM 0 H LEU A 59 -22.194 -3.230 -9.424 1.00 1.00 H new ATOM 0 HA LEU A 59 -21.725 -2.476 -12.063 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -23.273 -4.272 -11.169 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -24.385 -3.031 -10.627 1.00 1.00 H new ATOM 0 HG LEU A 59 -25.037 -3.972 -12.859 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -25.309 -1.788 -14.004 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -25.632 -1.636 -12.261 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -24.083 -1.072 -12.931 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -23.615 -3.440 -14.821 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -22.398 -2.715 -13.744 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -22.736 -4.460 -13.658 1.00 1.00 H new ATOM 945 N LYS A 60 -23.744 -0.305 -10.639 1.00 1.00 N ATOM 946 CA LYS A 60 -24.247 1.085 -10.817 1.00 1.00 C ATOM 947 C LYS A 60 -23.078 2.052 -10.645 1.00 1.00 C ATOM 948 O LYS A 60 -23.159 3.221 -10.964 1.00 1.00 O ATOM 949 CB LYS A 60 -25.284 1.286 -9.711 1.00 1.00 C ATOM 950 CG LYS A 60 -24.754 2.293 -8.689 1.00 1.00 C ATOM 951 CD LYS A 60 -25.669 2.307 -7.464 1.00 1.00 C ATOM 952 CE LYS A 60 -25.633 3.693 -6.814 1.00 1.00 C ATOM 953 NZ LYS A 60 -25.936 4.643 -7.921 1.00 1.00 N ATOM 0 H LYS A 60 -24.031 -0.765 -9.775 1.00 1.00 H new ATOM 0 HA LYS A 60 -24.685 1.259 -11.800 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -26.221 1.644 -10.138 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.499 0.336 -9.223 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -23.739 2.028 -8.394 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -24.708 3.287 -9.133 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -26.689 2.057 -7.756 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -25.348 1.550 -6.749 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -26.368 3.773 -6.013 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -24.657 3.898 -6.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -26.478 5.449 -7.548 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -25.047 4.986 -8.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -26.495 4.158 -8.651 1.00 1.00 H new ATOM 966 N GLU A 61 -21.981 1.549 -10.151 1.00 1.00 N ATOM 967 CA GLU A 61 -20.776 2.403 -9.958 1.00 1.00 C ATOM 968 C GLU A 61 -19.675 1.967 -10.928 1.00 1.00 C ATOM 969 O GLU A 61 -19.933 1.314 -11.920 1.00 1.00 O ATOM 970 CB GLU A 61 -20.345 2.164 -8.511 1.00 1.00 C ATOM 971 CG GLU A 61 -20.990 3.214 -7.605 1.00 1.00 C ATOM 972 CD GLU A 61 -20.518 4.608 -8.021 1.00 1.00 C ATOM 973 OE1 GLU A 61 -19.764 4.696 -8.977 1.00 1.00 O ATOM 974 OE2 GLU A 61 -20.919 5.564 -7.378 1.00 1.00 O ATOM 0 H GLU A 61 -21.867 0.575 -9.871 1.00 1.00 H new ATOM 0 HA GLU A 61 -20.976 3.457 -10.149 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -20.640 1.164 -8.193 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -19.259 2.217 -8.431 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -22.076 3.151 -7.674 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -20.725 3.024 -6.565 1.00 1.00 H new ATOM 981 N THR A 62 -18.451 2.317 -10.650 1.00 1.00 N ATOM 982 CA THR A 62 -17.338 1.916 -11.557 1.00 1.00 C ATOM 983 C THR A 62 -16.545 0.761 -10.938 1.00 1.00 C ATOM 984 O THR A 62 -15.332 0.798 -10.862 1.00 1.00 O ATOM 985 CB THR A 62 -16.460 3.162 -11.684 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.263 4.323 -11.520 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.799 3.186 -13.063 1.00 1.00 C ATOM 0 H THR A 62 -18.172 2.863 -9.835 1.00 1.00 H new ATOM 0 HA THR A 62 -17.698 1.572 -12.527 1.00 1.00 H new ATOM 0 HB THR A 62 -15.687 3.142 -10.915 1.00 1.00 H new ATOM 0 HG1 THR A 62 -16.702 5.123 -11.599 1.00 1.00 H new ATOM 0 HG21 THR A 62 -15.174 4.075 -13.151 1.00 1.00 H new ATOM 0 HG22 THR A 62 -15.183 2.295 -13.187 1.00 1.00 H new ATOM 0 HG23 THR A 62 -16.568 3.205 -13.835 1.00 1.00 H new ATOM 995 N HIS A 63 -17.221 -0.263 -10.495 1.00 1.00 N ATOM 996 CA HIS A 63 -16.509 -1.420 -9.878 1.00 1.00 C ATOM 997 C HIS A 63 -15.584 -2.081 -10.903 1.00 1.00 C ATOM 998 O HIS A 63 -15.973 -2.353 -12.022 1.00 1.00 O ATOM 999 CB HIS A 63 -17.617 -2.384 -9.456 1.00 1.00 C ATOM 1000 CG HIS A 63 -18.240 -2.999 -10.679 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -18.826 -2.233 -11.674 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -18.377 -4.305 -11.080 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -19.283 -3.076 -12.618 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -19.036 -4.351 -12.306 1.00 1.00 N ATOM 0 H HIS A 63 -18.237 -0.350 -10.533 1.00 1.00 H new ATOM 0 HA HIS A 63 -15.885 -1.120 -9.036 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -17.210 -3.163 -8.812 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.373 -1.854 -8.877 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.027 -5.165 -10.529 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -19.788 -2.760 -13.519 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -19.278 -5.180 -12.849 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.359 -2.336 -10.531 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.409 -2.976 -11.485 1.00 1.00 C ATOM 1014 C GLU A 64 -12.986 -4.355 -10.974 1.00 1.00 C ATOM 1015 O GLU A 64 -12.550 -4.502 -9.850 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.203 -2.038 -11.529 1.00 1.00 C ATOM 1017 CG GLU A 64 -12.449 -0.934 -12.558 1.00 1.00 C ATOM 1018 CD GLU A 64 -12.712 -1.562 -13.928 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -12.054 -2.540 -14.246 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -13.567 -1.056 -14.636 1.00 1.00 O ATOM 0 H GLU A 64 -13.975 -2.129 -9.609 1.00 1.00 H new ATOM 0 HA GLU A 64 -13.855 -3.124 -12.469 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.034 -1.601 -10.545 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.304 -2.597 -11.788 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -13.301 -0.324 -12.256 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -11.585 -0.271 -12.610 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.099 -5.363 -11.795 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.690 -6.729 -11.360 1.00 1.00 C ATOM 1029 C LYS A 65 -11.213 -6.952 -11.697 1.00 1.00 C ATOM 1030 O LYS A 65 -10.830 -6.992 -12.849 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.575 -7.684 -12.161 1.00 1.00 C ATOM 1032 CG LYS A 65 -12.845 -8.110 -13.436 1.00 1.00 C ATOM 1033 CD LYS A 65 -12.925 -6.985 -14.471 1.00 1.00 C ATOM 1034 CE LYS A 65 -13.131 -7.586 -15.863 1.00 1.00 C ATOM 1035 NZ LYS A 65 -11.757 -7.833 -16.382 1.00 1.00 N ATOM 0 H LYS A 65 -13.457 -5.300 -12.748 1.00 1.00 H new ATOM 0 HA LYS A 65 -12.805 -6.880 -10.287 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.820 -8.560 -11.560 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -14.517 -7.197 -12.414 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -11.803 -8.339 -13.212 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -13.292 -9.020 -13.837 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -13.747 -6.311 -14.229 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -12.011 -6.392 -14.451 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -13.706 -8.510 -15.813 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -13.681 -6.903 -16.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -11.815 -8.246 -17.335 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.235 -6.934 -16.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -11.260 -8.492 -15.749 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.377 -7.083 -10.704 1.00 1.00 N ATOM 1049 CA VAL A 66 -8.925 -7.286 -10.977 1.00 1.00 C ATOM 1050 C VAL A 66 -8.581 -8.778 -11.023 1.00 1.00 C ATOM 1051 O VAL A 66 -8.918 -9.532 -10.133 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.208 -6.614 -9.809 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -6.710 -6.898 -9.903 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -8.444 -5.103 -9.867 1.00 1.00 C ATOM 0 H VAL A 66 -10.635 -7.058 -9.717 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.632 -6.869 -11.940 1.00 1.00 H new ATOM 0 HB VAL A 66 -8.596 -7.007 -8.869 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -6.196 -6.419 -9.070 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -6.541 -7.974 -9.864 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -6.323 -6.504 -10.843 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -7.932 -4.623 -9.033 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -8.055 -4.710 -10.806 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -9.513 -4.899 -9.803 1.00 1.00 H new ATOM 1064 N GLN A 67 -7.904 -9.201 -12.055 1.00 1.00 N ATOM 1065 CA GLN A 67 -7.523 -10.638 -12.164 1.00 1.00 C ATOM 1066 C GLN A 67 -6.132 -10.764 -12.791 1.00 1.00 C ATOM 1067 O GLN A 67 -5.667 -9.871 -13.470 1.00 1.00 O ATOM 1068 CB GLN A 67 -8.583 -11.262 -13.073 1.00 1.00 C ATOM 1069 CG GLN A 67 -9.080 -12.571 -12.455 1.00 1.00 C ATOM 1070 CD GLN A 67 -9.787 -12.276 -11.131 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -9.773 -13.087 -10.228 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -10.408 -11.138 -10.977 1.00 1.00 N ATOM 0 H GLN A 67 -7.597 -8.612 -12.829 1.00 1.00 H new ATOM 0 HA GLN A 67 -7.481 -11.132 -11.193 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -9.416 -10.571 -13.206 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -8.164 -11.450 -14.062 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.764 -13.072 -13.140 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -8.242 -13.248 -12.289 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -10.420 -10.457 -11.736 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -10.881 -10.930 -10.098 1.00 1.00 H new ATOM 1081 N GLY A 68 -5.464 -11.863 -12.572 1.00 1.00 N ATOM 1082 CA GLY A 68 -4.106 -12.037 -13.161 1.00 1.00 C ATOM 1083 C GLY A 68 -3.039 -11.603 -12.151 1.00 1.00 C ATOM 1084 O GLY A 68 -1.857 -11.656 -12.425 1.00 1.00 O ATOM 0 H GLY A 68 -5.799 -12.647 -12.012 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -3.952 -13.079 -13.440 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -4.017 -11.446 -14.073 1.00 1.00 H new ATOM 1088 N GLY A 69 -3.442 -11.182 -10.983 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.443 -10.758 -9.961 1.00 1.00 C ATOM 1090 C GLY A 69 -2.356 -9.230 -9.911 1.00 1.00 C ATOM 1091 O GLY A 69 -1.601 -8.669 -9.144 1.00 1.00 O ATOM 0 H GLY A 69 -4.417 -11.113 -10.693 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -2.726 -11.146 -8.982 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -1.466 -11.178 -10.200 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.123 -8.550 -10.719 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.079 -7.059 -10.706 1.00 1.00 C ATOM 1097 C PHE A 70 -4.289 -6.505 -9.951 1.00 1.00 C ATOM 1098 O PHE A 70 -5.168 -5.900 -10.532 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.130 -6.646 -12.177 1.00 1.00 C ATOM 1100 CG PHE A 70 -4.416 -5.900 -12.443 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -4.564 -4.580 -11.999 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -5.460 -6.529 -13.131 1.00 1.00 C ATOM 1103 CE1 PHE A 70 -5.756 -3.889 -12.245 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -6.653 -5.836 -13.377 1.00 1.00 C ATOM 1105 CZ PHE A 70 -6.801 -4.517 -12.933 1.00 1.00 C ATOM 0 H PHE A 70 -3.777 -8.960 -11.386 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.188 -6.676 -10.208 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -2.274 -6.016 -12.419 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.069 -7.527 -12.816 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -3.759 -4.095 -11.467 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -5.346 -7.547 -13.472 1.00 1.00 H new ATOM 0 HE1 PHE A 70 -5.870 -2.871 -11.904 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -7.458 -6.320 -13.909 1.00 1.00 H new ATOM 0 HZ PHE A 70 -7.721 -3.984 -13.121 1.00 1.00 H new ATOM 1115 N GLY A 71 -4.343 -6.708 -8.661 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.501 -6.197 -7.873 1.00 1.00 C ATOM 1117 C GLY A 71 -6.570 -7.288 -7.782 1.00 1.00 C ATOM 1118 O GLY A 71 -7.742 -7.015 -7.589 1.00 1.00 O ATOM 0 H GLY A 71 -3.636 -7.205 -8.120 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -5.176 -5.906 -6.874 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -5.913 -5.306 -8.347 1.00 1.00 H new ATOM 1122 N LYS A 72 -6.177 -8.527 -7.915 1.00 1.00 N ATOM 1123 CA LYS A 72 -7.171 -9.631 -7.841 1.00 1.00 C ATOM 1124 C LYS A 72 -7.634 -9.803 -6.397 1.00 1.00 C ATOM 1125 O LYS A 72 -8.652 -10.408 -6.126 1.00 1.00 O ATOM 1126 CB LYS A 72 -6.421 -10.876 -8.315 1.00 1.00 C ATOM 1127 CG LYS A 72 -6.267 -11.856 -7.150 1.00 1.00 C ATOM 1128 CD LYS A 72 -5.445 -11.202 -6.037 1.00 1.00 C ATOM 1129 CE LYS A 72 -4.407 -10.262 -6.654 1.00 1.00 C ATOM 1130 NZ LYS A 72 -3.090 -10.825 -6.246 1.00 1.00 N ATOM 0 H LYS A 72 -5.212 -8.819 -8.071 1.00 1.00 H new ATOM 0 HA LYS A 72 -8.056 -9.440 -8.448 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.963 -11.350 -9.133 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -5.441 -10.597 -8.701 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -7.248 -12.144 -6.771 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.777 -12.768 -7.491 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -6.100 -10.647 -5.365 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -4.949 -11.967 -5.439 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -4.502 -10.226 -7.739 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -4.531 -9.242 -6.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.329 -10.329 -6.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -2.962 -10.701 -5.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.058 -11.838 -6.479 1.00 1.00 H new ATOM 1143 N TYR A 73 -6.909 -9.245 -5.470 1.00 1.00 N ATOM 1144 CA TYR A 73 -7.326 -9.345 -4.048 1.00 1.00 C ATOM 1145 C TYR A 73 -8.509 -8.405 -3.821 1.00 1.00 C ATOM 1146 O TYR A 73 -9.300 -8.585 -2.917 1.00 1.00 O ATOM 1147 CB TYR A 73 -6.111 -8.894 -3.238 1.00 1.00 C ATOM 1148 CG TYR A 73 -5.126 -10.034 -3.130 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -5.588 -11.342 -2.940 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -3.753 -9.782 -3.218 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -4.675 -12.398 -2.840 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.839 -10.839 -3.116 1.00 1.00 C ATOM 1153 CZ TYR A 73 -3.301 -12.147 -2.928 1.00 1.00 C ATOM 1154 OH TYR A 73 -2.401 -13.188 -2.827 1.00 1.00 O ATOM 0 H TYR A 73 -6.047 -8.725 -5.636 1.00 1.00 H new ATOM 0 HA TYR A 73 -7.636 -10.350 -3.761 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -5.639 -8.036 -3.717 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -6.422 -8.573 -2.244 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -6.648 -11.536 -2.871 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -3.397 -8.773 -3.365 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -5.031 -13.407 -2.695 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.779 -10.645 -3.182 1.00 1.00 H new ATOM 0 HH TYR A 73 -1.488 -12.841 -2.910 1.00 1.00 H new ATOM 1164 N GLN A 74 -8.638 -7.404 -4.654 1.00 1.00 N ATOM 1165 CA GLN A 74 -9.772 -6.449 -4.508 1.00 1.00 C ATOM 1166 C GLN A 74 -10.940 -6.891 -5.392 1.00 1.00 C ATOM 1167 O GLN A 74 -12.079 -6.909 -4.970 1.00 1.00 O ATOM 1168 CB GLN A 74 -9.220 -5.103 -4.976 1.00 1.00 C ATOM 1169 CG GLN A 74 -8.007 -4.723 -4.126 1.00 1.00 C ATOM 1170 CD GLN A 74 -7.121 -5.953 -3.920 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -7.091 -6.522 -2.848 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -6.393 -6.391 -4.912 1.00 1.00 N ATOM 0 H GLN A 74 -8.005 -7.209 -5.429 1.00 1.00 H new ATOM 0 HA GLN A 74 -10.146 -6.398 -3.485 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -8.937 -5.160 -6.027 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -9.989 -4.335 -4.894 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -7.440 -3.932 -4.616 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.333 -4.332 -3.162 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -6.418 -5.913 -5.813 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -5.800 -7.211 -4.786 1.00 1.00 H new ATOM 1181 N GLY A 75 -10.665 -7.252 -6.617 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.760 -7.697 -7.525 1.00 1.00 C ATOM 1183 C GLY A 75 -12.536 -6.479 -8.024 1.00 1.00 C ATOM 1184 O GLY A 75 -12.321 -6.001 -9.119 1.00 1.00 O ATOM 0 H GLY A 75 -9.731 -7.258 -7.027 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -11.345 -8.248 -8.369 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -12.429 -8.377 -6.998 1.00 1.00 H new ATOM 1188 N THR A 76 -13.439 -5.972 -7.229 1.00 1.00 N ATOM 1189 CA THR A 76 -14.229 -4.782 -7.659 1.00 1.00 C ATOM 1190 C THR A 76 -13.826 -3.558 -6.831 1.00 1.00 C ATOM 1191 O THR A 76 -14.102 -3.478 -5.651 1.00 1.00 O ATOM 1192 CB THR A 76 -15.688 -5.156 -7.391 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.734 -6.293 -6.540 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.386 -5.477 -8.713 1.00 1.00 C ATOM 0 H THR A 76 -13.664 -6.330 -6.301 1.00 1.00 H new ATOM 0 HA THR A 76 -14.061 -4.529 -8.706 1.00 1.00 H new ATOM 0 HB THR A 76 -16.196 -4.320 -6.910 1.00 1.00 H new ATOM 0 HG1 THR A 76 -16.668 -6.533 -6.365 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.425 -5.743 -8.520 1.00 1.00 H new ATOM 0 HG22 THR A 76 -16.350 -4.604 -9.365 1.00 1.00 H new ATOM 0 HG23 THR A 76 -15.881 -6.313 -9.197 1.00 1.00 H new ATOM 1202 N TRP A 77 -13.173 -2.606 -7.440 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.753 -1.391 -6.683 1.00 1.00 C ATOM 1204 C TRP A 77 -13.904 -0.387 -6.604 1.00 1.00 C ATOM 1205 O TRP A 77 -14.654 -0.208 -7.543 1.00 1.00 O ATOM 1206 CB TRP A 77 -11.591 -0.804 -7.484 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.907 -1.893 -8.245 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -10.594 -3.111 -7.747 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -10.448 -1.886 -9.629 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -9.972 -3.852 -8.736 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.859 -3.141 -9.914 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -10.485 -0.922 -10.652 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.326 -3.429 -11.171 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -9.949 -1.210 -11.919 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -9.371 -2.461 -12.177 1.00 1.00 C ATOM 0 H TRP A 77 -12.912 -2.616 -8.426 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.467 -1.627 -5.658 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.958 -0.041 -8.171 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.884 -0.315 -6.814 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -10.797 -3.450 -6.742 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -9.638 -4.807 -8.610 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -10.928 0.045 -10.463 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -8.882 -4.394 -11.365 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -9.983 -0.463 -12.698 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -8.961 -2.676 -13.153 1.00 1.00 H new ATOM 1226 N VAL A 78 -14.042 0.279 -5.490 1.00 1.00 N ATOM 1227 CA VAL A 78 -15.136 1.281 -5.348 1.00 1.00 C ATOM 1228 C VAL A 78 -14.556 2.625 -4.905 1.00 1.00 C ATOM 1229 O VAL A 78 -13.592 2.671 -4.168 1.00 1.00 O ATOM 1230 CB VAL A 78 -16.060 0.718 -4.270 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -17.296 0.100 -4.925 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.316 -0.355 -3.470 1.00 1.00 C ATOM 0 H VAL A 78 -13.443 0.172 -4.671 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.666 1.450 -6.286 1.00 1.00 H new ATOM 0 HB VAL A 78 -16.369 1.522 -3.602 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.954 -0.301 -4.154 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.827 0.864 -5.494 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.990 -0.704 -5.595 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.975 -0.757 -2.700 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -15.006 -1.158 -4.139 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.436 0.086 -3.001 1.00 1.00 H new ATOM 1242 N PRO A 79 -15.166 3.679 -5.371 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.701 5.039 -5.012 1.00 1.00 C ATOM 1244 C PRO A 79 -14.559 5.158 -3.493 1.00 1.00 C ATOM 1245 O PRO A 79 -15.527 5.083 -2.762 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.809 5.953 -5.531 1.00 1.00 C ATOM 1247 CG PRO A 79 -16.517 5.160 -6.587 1.00 1.00 C ATOM 1248 CD PRO A 79 -16.331 3.702 -6.260 1.00 1.00 C ATOM 0 HA PRO A 79 -13.727 5.288 -5.434 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -16.491 6.237 -4.730 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -15.398 6.875 -5.942 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -17.576 5.415 -6.612 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -16.111 5.386 -7.573 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -17.213 3.288 -5.772 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -16.158 3.111 -7.159 1.00 1.00 H new ATOM 1256 N LEU A 80 -13.360 5.335 -3.010 1.00 1.00 N ATOM 1257 CA LEU A 80 -13.160 5.450 -1.538 1.00 1.00 C ATOM 1258 C LEU A 80 -14.144 6.463 -0.947 1.00 1.00 C ATOM 1259 O LEU A 80 -14.627 6.300 0.156 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.721 5.939 -1.369 1.00 1.00 C ATOM 1261 CG LEU A 80 -10.828 4.765 -0.967 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -11.157 3.551 -1.837 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -9.360 5.151 -1.169 1.00 1.00 C ATOM 0 H LEU A 80 -12.511 5.405 -3.571 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.332 4.504 -1.024 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -11.364 6.380 -2.300 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -11.678 6.720 -0.609 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.001 4.519 0.081 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.520 2.714 -1.550 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.202 3.276 -1.697 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -10.983 3.796 -2.885 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -8.721 4.315 -0.883 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -9.189 5.396 -2.217 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -9.123 6.017 -0.551 1.00 1.00 H new ATOM 1275 N ASN A 81 -14.453 7.501 -1.677 1.00 1.00 N ATOM 1276 CA ASN A 81 -15.412 8.517 -1.158 1.00 1.00 C ATOM 1277 C ASN A 81 -16.788 7.877 -0.960 1.00 1.00 C ATOM 1278 O ASN A 81 -17.530 8.236 -0.068 1.00 1.00 O ATOM 1279 CB ASN A 81 -15.472 9.598 -2.238 1.00 1.00 C ATOM 1280 CG ASN A 81 -16.267 10.796 -1.718 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -16.614 11.682 -2.473 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -16.570 10.861 -0.451 1.00 1.00 N ATOM 0 H ASN A 81 -14.083 7.689 -2.609 1.00 1.00 H new ATOM 0 HA ASN A 81 -15.105 8.926 -0.195 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.464 9.909 -2.513 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.940 9.201 -3.139 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -17.099 11.656 -0.093 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -16.278 10.116 0.182 1.00 1.00 H new ATOM 1289 N ILE A 82 -17.129 6.924 -1.783 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.449 6.250 -1.641 1.00 1.00 C ATOM 1291 C ILE A 82 -18.250 4.851 -1.061 1.00 1.00 C ATOM 1292 O ILE A 82 -19.061 4.359 -0.301 1.00 1.00 O ATOM 1293 CB ILE A 82 -19.012 6.171 -3.060 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -20.525 6.395 -3.020 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -18.719 4.790 -3.648 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -21.187 5.629 -4.166 1.00 1.00 C ATOM 0 H ILE A 82 -16.549 6.583 -2.549 1.00 1.00 H new ATOM 0 HA ILE A 82 -19.123 6.785 -0.972 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.546 6.937 -3.679 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.927 6.059 -2.064 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -20.748 7.459 -3.104 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -19.120 4.733 -4.660 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -17.642 4.627 -3.675 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -19.186 4.024 -3.029 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -22.265 5.789 -4.136 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -20.793 5.986 -5.118 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -20.976 4.565 -4.062 1.00 1.00 H new ATOM 1308 N ALA A 83 -17.168 4.208 -1.409 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.910 2.843 -0.874 1.00 1.00 C ATOM 1310 C ALA A 83 -16.738 2.904 0.646 1.00 1.00 C ATOM 1311 O ALA A 83 -17.462 2.268 1.386 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.611 2.393 -1.543 1.00 1.00 C ATOM 0 H ALA A 83 -16.453 4.570 -2.040 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.730 2.154 -1.078 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.352 1.392 -1.199 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.744 2.382 -2.625 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.809 3.084 -1.283 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.789 3.666 1.120 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.582 3.761 2.592 1.00 1.00 C ATOM 1320 C LYS A 84 -16.819 4.364 3.260 1.00 1.00 C ATOM 1321 O LYS A 84 -17.152 4.036 4.381 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.375 4.684 2.764 1.00 1.00 C ATOM 1323 CG LYS A 84 -13.212 3.897 3.370 1.00 1.00 C ATOM 1324 CD LYS A 84 -11.886 4.506 2.906 1.00 1.00 C ATOM 1325 CE LYS A 84 -10.766 4.075 3.855 1.00 1.00 C ATOM 1326 NZ LYS A 84 -10.990 4.867 5.097 1.00 1.00 N ATOM 0 H LYS A 84 -15.151 4.224 0.553 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.417 2.786 3.050 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -14.083 5.101 1.800 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -14.635 5.523 3.409 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -13.273 3.918 4.458 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -13.270 2.851 3.067 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.661 4.182 1.890 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.961 5.593 2.885 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.809 3.005 4.056 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -9.785 4.280 3.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -10.149 5.445 5.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.814 5.488 4.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -11.164 4.222 5.894 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.507 5.239 2.579 1.00 1.00 N ATOM 1340 CA GLN A 85 -18.723 5.853 3.181 1.00 1.00 C ATOM 1341 C GLN A 85 -19.823 4.799 3.316 1.00 1.00 C ATOM 1342 O GLN A 85 -20.689 4.893 4.163 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.144 6.950 2.204 1.00 1.00 C ATOM 1344 CG GLN A 85 -20.530 7.473 2.588 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.284 7.898 1.327 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -22.473 8.143 1.370 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -20.637 7.997 0.197 1.00 1.00 N ATOM 0 H GLN A 85 -17.281 5.554 1.636 1.00 1.00 H new ATOM 0 HA GLN A 85 -18.537 6.253 4.178 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.419 7.764 2.221 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.160 6.559 1.187 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.089 6.700 3.115 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -20.435 8.318 3.270 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -19.639 7.791 0.161 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -21.130 8.280 -0.650 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.785 3.786 2.494 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.819 2.718 2.583 1.00 1.00 C ATOM 1358 C LEU A 86 -20.414 1.706 3.656 1.00 1.00 C ATOM 1359 O LEU A 86 -21.215 1.295 4.472 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.837 2.064 1.205 1.00 1.00 C ATOM 1361 CG LEU A 86 -22.202 1.418 0.963 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -22.743 1.859 -0.399 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -22.054 -0.105 0.983 1.00 1.00 C ATOM 0 H LEU A 86 -19.083 3.652 1.766 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.801 3.105 2.854 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.634 2.808 0.435 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -20.050 1.313 1.137 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.894 1.728 1.746 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -23.716 1.398 -0.571 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -22.847 2.944 -0.415 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -22.052 1.549 -1.183 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -23.026 -0.567 0.811 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -21.361 -0.414 0.200 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.669 -0.420 1.953 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.171 1.308 3.662 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.708 0.330 4.684 1.00 1.00 C ATOM 1377 C ALA A 87 -18.268 1.066 5.953 1.00 1.00 C ATOM 1378 O ALA A 87 -18.807 0.854 7.021 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.520 -0.385 4.038 1.00 1.00 C ATOM 0 H ALA A 87 -18.457 1.618 3.003 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.492 -0.368 4.976 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -17.120 -1.125 4.731 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.847 -0.882 3.125 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.745 0.342 3.797 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.289 1.924 5.848 1.00 1.00 N ATOM 1386 CA GLU A 88 -16.811 2.667 7.044 1.00 1.00 C ATOM 1387 C GLU A 88 -17.967 2.957 8.000 1.00 1.00 C ATOM 1388 O GLU A 88 -17.771 3.134 9.186 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.232 3.962 6.486 1.00 1.00 C ATOM 1390 CG GLU A 88 -17.213 5.111 6.729 1.00 1.00 C ATOM 1391 CD GLU A 88 -16.440 6.426 6.848 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -15.591 6.670 6.006 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -16.710 7.167 7.780 1.00 1.00 O ATOM 0 H GLU A 88 -16.799 2.141 4.980 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.077 2.100 7.617 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.276 4.180 6.963 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.039 3.855 5.419 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -17.929 5.171 5.910 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -17.784 4.929 7.639 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.174 2.990 7.506 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.332 3.248 8.404 1.00 1.00 C ATOM 1402 C LYS A 89 -20.545 2.045 9.324 1.00 1.00 C ATOM 1403 O LYS A 89 -19.890 1.899 10.336 1.00 1.00 O ATOM 1404 CB LYS A 89 -21.529 3.431 7.469 1.00 1.00 C ATOM 1405 CG LYS A 89 -22.051 4.865 7.583 1.00 1.00 C ATOM 1406 CD LYS A 89 -22.137 5.262 9.058 1.00 1.00 C ATOM 1407 CE LYS A 89 -22.550 6.731 9.169 1.00 1.00 C ATOM 1408 NZ LYS A 89 -23.453 6.788 10.351 1.00 1.00 N ATOM 0 H LYS A 89 -19.407 2.850 6.523 1.00 1.00 H new ATOM 0 HA LYS A 89 -20.183 4.120 9.040 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -21.236 3.220 6.440 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -22.317 2.724 7.727 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -21.389 5.548 7.050 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.033 4.944 7.117 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -22.860 4.630 9.574 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -21.174 5.106 9.544 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -21.682 7.376 9.304 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -23.060 7.067 8.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -23.779 7.766 10.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -24.274 6.169 10.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -22.939 6.469 11.197 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.452 1.179 8.969 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.707 -0.027 9.809 1.00 1.00 C ATOM 1423 C PHE A 90 -21.212 -1.284 9.087 1.00 1.00 C ATOM 1424 O PHE A 90 -21.329 -2.386 9.585 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.224 -0.073 9.989 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.780 -1.279 9.269 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -24.084 -1.201 7.905 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -23.991 -2.474 9.966 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -24.598 -2.319 7.237 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -24.506 -3.592 9.299 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.809 -3.515 7.935 1.00 1.00 C ATOM 0 H PHE A 90 -22.030 1.253 8.132 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.187 0.017 10.766 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.474 -0.122 11.049 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.675 0.838 9.597 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.922 -0.278 7.368 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -23.757 -2.534 11.019 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -24.832 -2.259 6.184 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -24.669 -4.514 9.837 1.00 1.00 H new ATOM 0 HZ PHE A 90 -25.206 -4.378 7.420 1.00 1.00 H new ATOM 1441 N SER A 91 -20.668 -1.125 7.911 1.00 1.00 N ATOM 1442 CA SER A 91 -20.173 -2.306 7.149 1.00 1.00 C ATOM 1443 C SER A 91 -18.835 -2.791 7.715 1.00 1.00 C ATOM 1444 O SER A 91 -18.765 -3.799 8.390 1.00 1.00 O ATOM 1445 CB SER A 91 -19.999 -1.806 5.716 1.00 1.00 C ATOM 1446 OG SER A 91 -20.306 -2.858 4.812 1.00 1.00 O ATOM 0 H SER A 91 -20.545 -0.226 7.445 1.00 1.00 H new ATOM 0 HA SER A 91 -20.861 -3.149 7.209 1.00 1.00 H new ATOM 0 HB2 SER A 91 -20.652 -0.953 5.534 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.976 -1.463 5.560 1.00 1.00 H new ATOM 0 HG SER A 91 -19.475 -3.238 4.458 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.773 -2.080 7.448 1.00 1.00 N ATOM 1453 CA VAL A 92 -16.442 -2.500 7.974 1.00 1.00 C ATOM 1454 C VAL A 92 -15.871 -1.409 8.885 1.00 1.00 C ATOM 1455 O VAL A 92 -14.765 -1.510 9.377 1.00 1.00 O ATOM 1456 CB VAL A 92 -15.566 -2.681 6.736 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -15.056 -4.122 6.677 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -16.390 -2.380 5.481 1.00 1.00 C ATOM 0 H VAL A 92 -17.769 -1.227 6.889 1.00 1.00 H new ATOM 0 HA VAL A 92 -16.498 -3.413 8.567 1.00 1.00 H new ATOM 0 HB VAL A 92 -14.718 -1.998 6.788 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -14.431 -4.251 5.793 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.470 -4.337 7.571 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -15.903 -4.806 6.625 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -15.766 -2.509 4.597 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -17.238 -3.063 5.430 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -16.754 -1.353 5.522 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.624 -0.369 9.115 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.138 0.732 9.995 1.00 1.00 C ATOM 1470 C TYR A 93 -15.220 0.177 11.087 1.00 1.00 C ATOM 1471 O TYR A 93 -14.341 0.858 11.577 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.403 1.330 10.612 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.867 0.458 11.753 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -18.334 -0.838 11.499 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.833 0.946 13.065 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -18.765 -1.647 12.557 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -18.264 0.137 14.123 1.00 1.00 C ATOM 1478 CZ TYR A 93 -18.730 -1.159 13.871 1.00 1.00 C ATOM 1479 OH TYR A 93 -19.154 -1.956 14.914 1.00 1.00 O ATOM 0 H TYR A 93 -17.559 -0.233 8.730 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.560 1.474 9.445 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.203 2.340 10.970 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.186 1.408 9.858 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -18.362 -1.213 10.487 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -17.475 1.946 13.261 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -19.124 -2.646 12.361 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -18.237 0.513 15.135 1.00 1.00 H new ATOM 0 HH TYR A 93 -18.391 -2.453 15.277 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.417 -1.054 11.469 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.555 -1.652 12.530 1.00 1.00 C ATOM 1491 C ASP A 94 -13.337 -2.340 11.905 1.00 1.00 C ATOM 1492 O ASP A 94 -12.205 -2.014 12.203 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.446 -2.676 13.232 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.567 -2.319 14.715 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -14.580 -1.876 15.278 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -16.643 -2.494 15.261 1.00 1.00 O ATOM 0 H ASP A 94 -16.136 -1.672 11.094 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.172 -0.900 13.220 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.433 -2.692 12.770 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -15.026 -3.676 13.121 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.562 -3.298 11.049 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.422 -4.019 10.412 1.00 1.00 C ATOM 1503 C GLN A 95 -11.484 -3.037 9.701 1.00 1.00 C ATOM 1504 O GLN A 95 -10.288 -3.242 9.646 1.00 1.00 O ATOM 1505 CB GLN A 95 -13.069 -4.967 9.403 1.00 1.00 C ATOM 1506 CG GLN A 95 -12.709 -6.412 9.757 1.00 1.00 C ATOM 1507 CD GLN A 95 -13.948 -7.298 9.610 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -13.841 -8.507 9.552 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -15.128 -6.745 9.547 1.00 1.00 N ATOM 0 H GLN A 95 -14.488 -3.614 10.762 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.816 -4.549 11.146 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -14.151 -4.839 9.410 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.726 -4.732 8.395 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.913 -6.770 9.104 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -12.331 -6.464 10.778 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -15.219 -5.730 9.596 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -15.960 -7.327 9.449 1.00 1.00 H new ATOM 1518 N LEU A 96 -12.012 -1.977 9.151 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.135 -0.997 8.443 1.00 1.00 C ATOM 1520 C LEU A 96 -10.619 0.064 9.417 1.00 1.00 C ATOM 1521 O LEU A 96 -10.412 1.204 9.052 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.025 -0.354 7.380 1.00 1.00 C ATOM 1523 CG LEU A 96 -13.219 -1.263 7.088 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -14.077 -0.639 5.987 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -12.717 -2.633 6.627 1.00 1.00 C ATOM 0 H LEU A 96 -13.006 -1.747 9.160 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.260 -1.479 8.007 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -12.373 0.620 7.724 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -11.453 -0.184 6.468 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.816 -1.380 7.993 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -14.929 -1.287 5.778 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -14.435 0.337 6.314 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -13.480 -0.522 5.083 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -13.568 -3.281 6.419 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -12.120 -2.516 5.723 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -12.105 -3.079 7.411 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.401 -0.298 10.652 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.892 0.699 11.637 1.00 1.00 C ATOM 1539 C LYS A 97 -8.617 1.356 11.103 1.00 1.00 C ATOM 1540 O LYS A 97 -8.560 2.559 10.933 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.593 -0.109 12.900 1.00 1.00 C ATOM 1542 CG LYS A 97 -10.032 0.686 14.132 1.00 1.00 C ATOM 1543 CD LYS A 97 -9.640 -0.078 15.399 1.00 1.00 C ATOM 1544 CE LYS A 97 -8.410 -0.942 15.114 1.00 1.00 C ATOM 1545 NZ LYS A 97 -8.229 -1.768 16.339 1.00 1.00 N ATOM 0 H LYS A 97 -10.552 -1.237 11.021 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.608 1.499 11.828 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -10.116 -1.064 12.865 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -8.527 -0.331 12.958 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -9.564 1.670 14.129 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -11.110 0.846 14.110 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -9.427 0.622 16.207 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -10.469 -0.704 15.730 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -8.562 -1.568 14.235 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -7.532 -0.327 14.919 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -7.403 -2.388 16.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -8.080 -1.145 17.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -9.078 -2.348 16.495 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.632 0.536 10.852 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.338 1.036 10.325 1.00 1.00 C ATOM 1560 C PRO A 98 -6.524 1.604 8.916 1.00 1.00 C ATOM 1561 O PRO A 98 -6.258 2.762 8.663 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.444 -0.204 10.297 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.378 -1.374 10.342 1.00 1.00 C ATOM 1564 CD PRO A 98 -7.634 -0.918 11.034 1.00 1.00 C ATOM 0 HA PRO A 98 -5.915 1.839 10.929 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -4.832 -0.226 9.396 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.761 -0.214 11.147 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.601 -1.727 9.335 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -5.924 -2.207 10.879 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.520 -1.374 10.593 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -7.628 -1.188 12.090 1.00 1.00 H new ATOM 1572 N LEU A 99 -6.983 0.798 7.997 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.189 1.295 6.606 1.00 1.00 C ATOM 1574 C LEU A 99 -7.777 2.708 6.637 1.00 1.00 C ATOM 1575 O LEU A 99 -7.395 3.566 5.866 1.00 1.00 O ATOM 1576 CB LEU A 99 -8.180 0.314 5.977 1.00 1.00 C ATOM 1577 CG LEU A 99 -8.416 0.695 4.515 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -9.680 0.003 4.005 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -8.585 2.212 4.405 1.00 1.00 C ATOM 0 H LEU A 99 -7.224 -0.181 8.149 1.00 1.00 H new ATOM 0 HA LEU A 99 -6.258 1.349 6.042 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -7.792 -0.703 6.041 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -9.122 0.331 6.525 1.00 1.00 H new ATOM 0 HG LEU A 99 -7.563 0.380 3.915 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -9.848 0.275 2.963 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -9.560 -1.078 4.084 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -10.534 0.318 4.604 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -8.753 2.485 3.363 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -9.438 2.527 5.005 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -7.684 2.706 4.768 1.00 1.00 H new ATOM 1591 N PHE A 100 -8.700 2.956 7.525 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.309 4.314 7.609 1.00 1.00 C ATOM 1593 C PHE A 100 -8.322 5.290 8.252 1.00 1.00 C ATOM 1594 O PHE A 100 -8.260 6.451 7.897 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.545 4.141 8.490 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.664 3.537 7.677 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -11.393 2.963 6.429 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.974 3.550 8.171 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -12.431 2.402 5.676 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -14.012 2.991 7.418 1.00 1.00 C ATOM 1601 CZ PHE A 100 -13.741 2.416 6.170 1.00 1.00 C ATOM 0 H PHE A 100 -9.059 2.277 8.196 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.564 4.717 6.629 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.312 3.499 9.340 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.854 5.105 8.894 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -10.383 2.953 6.047 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -13.183 3.992 9.134 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -12.221 1.958 4.714 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -15.022 3.003 7.799 1.00 1.00 H new ATOM 0 HZ PHE A 100 -14.542 1.984 5.589 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.547 4.828 9.195 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.562 5.728 9.860 1.00 1.00 C ATOM 1613 C ASP A 101 -5.523 6.214 8.845 1.00 1.00 C ATOM 1614 O ASP A 101 -4.998 7.305 8.952 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.900 4.867 10.936 1.00 1.00 C ATOM 1616 CG ASP A 101 -6.979 4.217 11.804 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -8.020 4.828 11.977 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -6.744 3.119 12.282 1.00 1.00 O ATOM 0 H ASP A 101 -7.553 3.866 9.534 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.033 6.615 10.283 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -5.280 4.100 10.472 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -5.242 5.479 11.553 1.00 1.00 H new ATOM 1623 N PHE A 102 -5.223 5.413 7.859 1.00 1.00 N ATOM 1624 CA PHE A 102 -4.219 5.828 6.838 1.00 1.00 C ATOM 1625 C PHE A 102 -2.813 5.825 7.444 1.00 1.00 C ATOM 1626 O PHE A 102 -2.585 6.360 8.511 1.00 1.00 O ATOM 1627 CB PHE A 102 -4.627 7.246 6.436 1.00 1.00 C ATOM 1628 CG PHE A 102 -4.555 7.386 4.935 1.00 1.00 C ATOM 1629 CD1 PHE A 102 -5.093 6.388 4.112 1.00 1.00 C ATOM 1630 CD2 PHE A 102 -3.950 8.512 4.365 1.00 1.00 C ATOM 1631 CE1 PHE A 102 -5.027 6.518 2.719 1.00 1.00 C ATOM 1632 CE2 PHE A 102 -3.883 8.642 2.972 1.00 1.00 C ATOM 1633 CZ PHE A 102 -4.422 7.646 2.149 1.00 1.00 C ATOM 0 H PHE A 102 -5.630 4.489 7.716 1.00 1.00 H new ATOM 0 HA PHE A 102 -4.196 5.152 5.983 1.00 1.00 H new ATOM 0 HB2 PHE A 102 -5.639 7.457 6.783 1.00 1.00 H new ATOM 0 HB3 PHE A 102 -3.969 7.973 6.911 1.00 1.00 H new ATOM 0 HD1 PHE A 102 -5.559 5.518 4.552 1.00 1.00 H new ATOM 0 HD2 PHE A 102 -3.535 9.281 4.999 1.00 1.00 H new ATOM 0 HE1 PHE A 102 -5.442 5.749 2.084 1.00 1.00 H new ATOM 0 HE2 PHE A 102 -3.415 9.511 2.533 1.00 1.00 H new ATOM 0 HZ PHE A 102 -4.372 7.747 1.075 1.00 1.00 H new ATOM 1643 N THR A 103 -1.869 5.227 6.772 1.00 1.00 N ATOM 1644 CA THR A 103 -0.478 5.190 7.310 1.00 1.00 C ATOM 1645 C THR A 103 0.269 6.473 6.931 1.00 1.00 C ATOM 1646 O THR A 103 1.008 6.511 5.969 1.00 1.00 O ATOM 1647 CB THR A 103 0.173 3.975 6.646 1.00 1.00 C ATOM 1648 OG1 THR A 103 -0.835 3.046 6.273 1.00 1.00 O ATOM 1649 CG2 THR A 103 1.141 3.314 7.627 1.00 1.00 C ATOM 0 H THR A 103 -1.999 4.762 5.874 1.00 1.00 H new ATOM 0 HA THR A 103 -0.458 5.119 8.397 1.00 1.00 H new ATOM 0 HB THR A 103 0.720 4.294 5.759 1.00 1.00 H new ATOM 0 HG1 THR A 103 -0.709 2.785 5.337 1.00 1.00 H new ATOM 0 HG21 THR A 103 1.604 2.449 7.153 1.00 1.00 H new ATOM 0 HG22 THR A 103 1.913 4.028 7.913 1.00 1.00 H new ATOM 0 HG23 THR A 103 0.596 2.993 8.515 1.00 1.00 H new ATOM 1657 N GLN A 104 0.077 7.524 7.681 1.00 1.00 N ATOM 1658 CA GLN A 104 0.774 8.803 7.362 1.00 1.00 C ATOM 1659 C GLN A 104 2.143 8.846 8.047 1.00 1.00 C ATOM 1660 O GLN A 104 2.394 8.137 9.001 1.00 1.00 O ATOM 1661 CB GLN A 104 -0.137 9.899 7.918 1.00 1.00 C ATOM 1662 CG GLN A 104 -0.410 9.633 9.399 1.00 1.00 C ATOM 1663 CD GLN A 104 -0.871 10.926 10.073 1.00 1.00 C ATOM 1664 OE1 GLN A 104 -0.773 11.066 11.276 1.00 1.00 O ATOM 1665 NE2 GLN A 104 -1.374 11.884 9.344 1.00 1.00 N ATOM 0 H GLN A 104 -0.531 7.553 8.499 1.00 1.00 H new ATOM 0 HA GLN A 104 0.950 8.921 6.293 1.00 1.00 H new ATOM 0 HB2 GLN A 104 0.333 10.875 7.793 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -1.075 9.923 7.363 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -1.173 8.862 9.506 1.00 1.00 H new ATOM 0 HG3 GLN A 104 0.491 9.259 9.884 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -1.456 11.767 8.334 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -1.685 12.750 9.784 1.00 1.00 H new ATOM 1674 N THR A 105 3.030 9.673 7.565 1.00 1.00 N ATOM 1675 CA THR A 105 4.383 9.762 8.186 1.00 1.00 C ATOM 1676 C THR A 105 4.278 10.331 9.603 1.00 1.00 C ATOM 1677 O THR A 105 3.395 11.109 9.908 1.00 1.00 O ATOM 1678 CB THR A 105 5.173 10.710 7.283 1.00 1.00 C ATOM 1679 OG1 THR A 105 5.992 11.550 8.084 1.00 1.00 O ATOM 1680 CG2 THR A 105 4.204 11.566 6.466 1.00 1.00 C ATOM 0 H THR A 105 2.877 10.291 6.768 1.00 1.00 H new ATOM 0 HA THR A 105 4.863 8.787 8.271 1.00 1.00 H new ATOM 0 HB THR A 105 5.800 10.130 6.606 1.00 1.00 H new ATOM 0 HG1 THR A 105 6.913 11.523 7.751 1.00 1.00 H new ATOM 0 HG21 THR A 105 4.768 12.241 5.823 1.00 1.00 H new ATOM 0 HG22 THR A 105 3.577 10.920 5.852 1.00 1.00 H new ATOM 0 HG23 THR A 105 3.575 12.148 7.140 1.00 1.00 H new ATOM 1688 N ASP A 106 5.175 9.952 10.472 1.00 1.00 N ATOM 1689 CA ASP A 106 5.130 10.473 11.868 1.00 1.00 C ATOM 1690 C ASP A 106 5.746 11.874 11.930 1.00 1.00 C ATOM 1691 O ASP A 106 6.202 12.317 12.965 1.00 1.00 O ATOM 1692 CB ASP A 106 5.962 9.484 12.687 1.00 1.00 C ATOM 1693 CG ASP A 106 5.338 8.091 12.591 1.00 1.00 C ATOM 1694 OD1 ASP A 106 4.591 7.861 11.655 1.00 1.00 O ATOM 1695 OD2 ASP A 106 5.619 7.278 13.456 1.00 1.00 O ATOM 0 H ASP A 106 5.938 9.304 10.276 1.00 1.00 H new ATOM 0 HA ASP A 106 4.111 10.558 12.245 1.00 1.00 H new ATOM 0 HB2 ASP A 106 6.987 9.461 12.317 1.00 1.00 H new ATOM 0 HB3 ASP A 106 6.006 9.804 13.728 1.00 1.00 H new ATOM 1700 N GLY A 107 5.769 12.570 10.827 1.00 1.00 N ATOM 1701 CA GLY A 107 6.360 13.938 10.819 1.00 1.00 C ATOM 1702 C GLY A 107 7.816 13.856 10.357 1.00 1.00 C ATOM 1703 O GLY A 107 8.427 14.850 10.018 1.00 1.00 O ATOM 0 H GLY A 107 5.404 12.250 9.930 1.00 1.00 H new ATOM 0 HA2 GLY A 107 5.791 14.589 10.154 1.00 1.00 H new ATOM 0 HA3 GLY A 107 6.307 14.376 11.816 1.00 1.00 H new ATOM 1707 N SER A 108 8.372 12.676 10.335 1.00 1.00 N ATOM 1708 CA SER A 108 9.787 12.526 9.886 1.00 1.00 C ATOM 1709 C SER A 108 9.831 12.274 8.376 1.00 1.00 C ATOM 1710 O SER A 108 8.821 12.016 7.753 1.00 1.00 O ATOM 1711 CB SER A 108 10.318 11.313 10.650 1.00 1.00 C ATOM 1712 OG SER A 108 9.408 10.231 10.503 1.00 1.00 O ATOM 0 H SER A 108 7.909 11.809 10.608 1.00 1.00 H new ATOM 0 HA SER A 108 10.383 13.418 10.079 1.00 1.00 H new ATOM 0 HB2 SER A 108 11.300 11.031 10.271 1.00 1.00 H new ATOM 0 HB3 SER A 108 10.442 11.559 11.705 1.00 1.00 H new ATOM 0 HG SER A 108 9.746 9.451 10.990 1.00 1.00 H new ATOM 1718 N ALA A 109 10.991 12.342 7.784 1.00 1.00 N ATOM 1719 CA ALA A 109 11.088 12.101 6.315 1.00 1.00 C ATOM 1720 C ALA A 109 9.992 11.128 5.872 1.00 1.00 C ATOM 1721 O ALA A 109 9.645 10.205 6.582 1.00 1.00 O ATOM 1722 CB ALA A 109 12.470 11.485 6.104 1.00 1.00 C ATOM 0 H ALA A 109 11.873 12.553 8.250 1.00 1.00 H new ATOM 0 HA ALA A 109 10.959 13.015 5.735 1.00 1.00 H new ATOM 0 HB1 ALA A 109 12.618 11.278 5.044 1.00 1.00 H new ATOM 0 HB2 ALA A 109 13.235 12.181 6.448 1.00 1.00 H new ATOM 0 HB3 ALA A 109 12.544 10.556 6.669 1.00 1.00 H new ATOM 1728 N SER A 110 9.440 11.326 4.706 1.00 1.00 N ATOM 1729 CA SER A 110 8.364 10.413 4.225 1.00 1.00 C ATOM 1730 C SER A 110 8.947 9.039 3.882 1.00 1.00 C ATOM 1731 O SER A 110 9.503 8.848 2.817 1.00 1.00 O ATOM 1732 CB SER A 110 7.805 11.085 2.972 1.00 1.00 C ATOM 1733 OG SER A 110 7.330 10.088 2.078 1.00 1.00 O ATOM 0 H SER A 110 9.687 12.080 4.066 1.00 1.00 H new ATOM 0 HA SER A 110 7.594 10.251 4.979 1.00 1.00 H new ATOM 0 HB2 SER A 110 6.996 11.765 3.240 1.00 1.00 H new ATOM 0 HB3 SER A 110 8.578 11.683 2.490 1.00 1.00 H new ATOM 0 HG SER A 110 8.072 9.505 1.815 1.00 1.00 H new ATOM 1739 N PRO A 111 8.797 8.126 4.802 1.00 1.00 N ATOM 1740 CA PRO A 111 9.312 6.750 4.599 1.00 1.00 C ATOM 1741 C PRO A 111 8.538 6.052 3.477 1.00 1.00 C ATOM 1742 O PRO A 111 7.382 6.346 3.244 1.00 1.00 O ATOM 1743 CB PRO A 111 9.061 6.059 5.941 1.00 1.00 C ATOM 1744 CG PRO A 111 8.021 6.885 6.629 1.00 1.00 C ATOM 1745 CD PRO A 111 8.141 8.290 6.100 1.00 1.00 C ATOM 0 HA PRO A 111 10.362 6.729 4.308 1.00 1.00 H new ATOM 0 HB2 PRO A 111 8.716 5.035 5.796 1.00 1.00 H new ATOM 0 HB3 PRO A 111 9.975 6.007 6.532 1.00 1.00 H new ATOM 0 HG2 PRO A 111 7.025 6.486 6.437 1.00 1.00 H new ATOM 0 HG3 PRO A 111 8.169 6.867 7.709 1.00 1.00 H new ATOM 0 HD2 PRO A 111 7.164 8.762 5.996 1.00 1.00 H new ATOM 0 HD3 PRO A 111 8.730 8.919 6.768 1.00 1.00 H new ATOM 1753 N PRO A 112 9.209 5.148 2.818 1.00 1.00 N ATOM 1754 CA PRO A 112 8.579 4.395 1.705 1.00 1.00 C ATOM 1755 C PRO A 112 7.458 3.497 2.237 1.00 1.00 C ATOM 1756 O PRO A 112 7.567 2.934 3.308 1.00 1.00 O ATOM 1757 CB PRO A 112 9.720 3.555 1.133 1.00 1.00 C ATOM 1758 CG PRO A 112 10.764 3.508 2.205 1.00 1.00 C ATOM 1759 CD PRO A 112 10.599 4.746 3.045 1.00 1.00 C ATOM 0 HA PRO A 112 8.125 5.045 0.957 1.00 1.00 H new ATOM 0 HB2 PRO A 112 9.378 2.553 0.876 1.00 1.00 H new ATOM 0 HB3 PRO A 112 10.115 4.001 0.220 1.00 1.00 H new ATOM 0 HG2 PRO A 112 10.649 2.612 2.815 1.00 1.00 H new ATOM 0 HG3 PRO A 112 11.762 3.470 1.768 1.00 1.00 H new ATOM 0 HD2 PRO A 112 10.788 4.541 4.099 1.00 1.00 H new ATOM 0 HD3 PRO A 112 11.295 5.529 2.743 1.00 1.00 H new ATOM 1767 N PRO A 113 6.414 3.393 1.461 1.00 1.00 N ATOM 1768 CA PRO A 113 5.255 2.553 1.852 1.00 1.00 C ATOM 1769 C PRO A 113 5.673 1.084 1.952 1.00 1.00 C ATOM 1770 O PRO A 113 6.525 0.723 2.738 1.00 1.00 O ATOM 1771 CB PRO A 113 4.247 2.756 0.720 1.00 1.00 C ATOM 1772 CG PRO A 113 5.029 3.329 -0.421 1.00 1.00 C ATOM 1773 CD PRO A 113 6.219 4.040 0.163 1.00 1.00 C ATOM 0 HA PRO A 113 4.845 2.824 2.825 1.00 1.00 H new ATOM 0 HB2 PRO A 113 3.779 1.813 0.439 1.00 1.00 H new ATOM 0 HB3 PRO A 113 3.447 3.431 1.024 1.00 1.00 H new ATOM 0 HG2 PRO A 113 5.349 2.540 -1.102 1.00 1.00 H new ATOM 0 HG3 PRO A 113 4.415 4.019 -0.999 1.00 1.00 H new ATOM 0 HD2 PRO A 113 7.099 3.934 -0.472 1.00 1.00 H new ATOM 0 HD3 PRO A 113 6.032 5.108 0.273 1.00 1.00 H new ATOM 1781 N ALA A 114 5.081 0.234 1.158 1.00 1.00 N ATOM 1782 CA ALA A 114 5.448 -1.211 1.205 1.00 1.00 C ATOM 1783 C ALA A 114 6.970 -1.369 1.137 1.00 1.00 C ATOM 1784 O ALA A 114 7.684 -0.410 0.917 1.00 1.00 O ATOM 1785 CB ALA A 114 4.788 -1.829 -0.027 1.00 1.00 C ATOM 0 H ALA A 114 4.360 0.477 0.479 1.00 1.00 H new ATOM 0 HA ALA A 114 5.118 -1.692 2.126 1.00 1.00 H new ATOM 0 HB1 ALA A 114 5.012 -2.895 -0.064 1.00 1.00 H new ATOM 0 HB2 ALA A 114 3.709 -1.687 0.029 1.00 1.00 H new ATOM 0 HB3 ALA A 114 5.172 -1.346 -0.926 1.00 1.00 H new ATOM 1791 N PRO A 115 7.414 -2.581 1.331 1.00 1.00 N ATOM 1792 CA PRO A 115 8.869 -2.872 1.291 1.00 1.00 C ATOM 1793 C PRO A 115 9.422 -2.628 -0.116 1.00 1.00 C ATOM 1794 O PRO A 115 8.709 -2.713 -1.095 1.00 1.00 O ATOM 1795 CB PRO A 115 8.963 -4.352 1.661 1.00 1.00 C ATOM 1796 CG PRO A 115 7.591 -4.911 1.440 1.00 1.00 C ATOM 1797 CD PRO A 115 6.614 -3.777 1.599 1.00 1.00 C ATOM 0 HA PRO A 115 9.446 -2.238 1.964 1.00 1.00 H new ATOM 0 HB2 PRO A 115 9.699 -4.865 1.042 1.00 1.00 H new ATOM 0 HB3 PRO A 115 9.275 -4.478 2.698 1.00 1.00 H new ATOM 0 HG2 PRO A 115 7.511 -5.351 0.446 1.00 1.00 H new ATOM 0 HG3 PRO A 115 7.379 -5.704 2.157 1.00 1.00 H new ATOM 0 HD2 PRO A 115 5.782 -3.866 0.900 1.00 1.00 H new ATOM 0 HD3 PRO A 115 6.187 -3.755 2.602 1.00 1.00 H new ATOM 1805 N LYS A 116 10.686 -2.321 -0.224 1.00 1.00 N ATOM 1806 CA LYS A 116 11.282 -2.069 -1.567 1.00 1.00 C ATOM 1807 C LYS A 116 10.554 -2.883 -2.640 1.00 1.00 C ATOM 1808 O LYS A 116 9.918 -3.878 -2.356 1.00 1.00 O ATOM 1809 CB LYS A 116 12.737 -2.525 -1.446 1.00 1.00 C ATOM 1810 CG LYS A 116 13.518 -1.524 -0.593 1.00 1.00 C ATOM 1811 CD LYS A 116 14.069 -2.230 0.648 1.00 1.00 C ATOM 1812 CE LYS A 116 15.549 -2.555 0.436 1.00 1.00 C ATOM 1813 NZ LYS A 116 15.870 -3.577 1.472 1.00 1.00 N ATOM 0 H LYS A 116 11.332 -2.234 0.560 1.00 1.00 H new ATOM 0 HA LYS A 116 11.202 -1.022 -1.860 1.00 1.00 H new ATOM 0 HB2 LYS A 116 12.782 -3.516 -0.995 1.00 1.00 H new ATOM 0 HB3 LYS A 116 13.187 -2.605 -2.435 1.00 1.00 H new ATOM 0 HG2 LYS A 116 14.335 -1.095 -1.173 1.00 1.00 H new ATOM 0 HG3 LYS A 116 12.870 -0.699 -0.297 1.00 1.00 H new ATOM 0 HD2 LYS A 116 13.947 -1.594 1.525 1.00 1.00 H new ATOM 0 HD3 LYS A 116 13.508 -3.145 0.838 1.00 1.00 H new ATOM 0 HE2 LYS A 116 15.729 -2.940 -0.568 1.00 1.00 H new ATOM 0 HE3 LYS A 116 16.169 -1.666 0.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 16.870 -3.851 1.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 15.695 -3.180 2.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 15.269 -4.414 1.332 1.00 1.00 H new ATOM 1826 N HIS A 117 10.645 -2.464 -3.873 1.00 1.00 N ATOM 1827 CA HIS A 117 9.962 -3.206 -4.972 1.00 1.00 C ATOM 1828 C HIS A 117 10.657 -4.548 -5.216 1.00 1.00 C ATOM 1829 O HIS A 117 11.828 -4.714 -4.936 1.00 1.00 O ATOM 1830 CB HIS A 117 10.092 -2.304 -6.200 1.00 1.00 C ATOM 1831 CG HIS A 117 11.508 -1.814 -6.315 1.00 1.00 C ATOM 1832 ND1 HIS A 117 12.435 -2.421 -7.148 1.00 1.00 N ATOM 1833 CD2 HIS A 117 12.172 -0.776 -5.710 1.00 1.00 C ATOM 1834 CE1 HIS A 117 13.594 -1.749 -7.023 1.00 1.00 C ATOM 1835 NE2 HIS A 117 13.490 -0.736 -6.159 1.00 1.00 N ATOM 0 H HIS A 117 11.165 -1.637 -4.168 1.00 1.00 H new ATOM 0 HA HIS A 117 8.921 -3.426 -4.736 1.00 1.00 H new ATOM 0 HB2 HIS A 117 9.812 -2.853 -7.099 1.00 1.00 H new ATOM 0 HB3 HIS A 117 9.409 -1.459 -6.117 1.00 1.00 H new ATOM 0 HD2 HIS A 117 11.738 -0.094 -4.994 1.00 1.00 H new ATOM 0 HE1 HIS A 117 14.499 -1.999 -7.557 1.00 1.00 H new ATOM 0 HE2 HIS A 117 14.218 -0.076 -5.887 1.00 1.00 H new ATOM 1843 N HIS A 118 9.942 -5.510 -5.734 1.00 1.00 N ATOM 1844 CA HIS A 118 10.559 -6.843 -5.993 1.00 1.00 C ATOM 1845 C HIS A 118 11.891 -6.677 -6.728 1.00 1.00 C ATOM 1846 O HIS A 118 12.149 -5.663 -7.346 1.00 1.00 O ATOM 1847 CB HIS A 118 9.550 -7.583 -6.871 1.00 1.00 C ATOM 1848 CG HIS A 118 8.359 -6.700 -7.122 1.00 1.00 C ATOM 1849 ND1 HIS A 118 8.077 -6.176 -8.375 1.00 1.00 N ATOM 1850 CD2 HIS A 118 7.368 -6.240 -6.291 1.00 1.00 C ATOM 1851 CE1 HIS A 118 6.957 -5.439 -8.263 1.00 1.00 C ATOM 1852 NE2 HIS A 118 6.483 -5.443 -7.014 1.00 1.00 N ATOM 0 H HIS A 118 8.958 -5.431 -5.989 1.00 1.00 H new ATOM 0 HA HIS A 118 10.772 -7.385 -5.071 1.00 1.00 H new ATOM 0 HB2 HIS A 118 10.013 -7.864 -7.817 1.00 1.00 H new ATOM 0 HB3 HIS A 118 9.235 -8.506 -6.383 1.00 1.00 H new ATOM 0 HD2 HIS A 118 7.287 -6.462 -5.237 1.00 1.00 H new ATOM 0 HE1 HIS A 118 6.497 -4.908 -9.083 1.00 1.00 H new ATOM 0 HE2 HIS A 118 5.652 -4.965 -6.665 1.00 1.00 H new ATOM 1860 N HIS A 119 12.740 -7.666 -6.663 1.00 1.00 N ATOM 1861 CA HIS A 119 14.057 -7.568 -7.357 1.00 1.00 C ATOM 1862 C HIS A 119 14.023 -8.349 -8.672 1.00 1.00 C ATOM 1863 O HIS A 119 13.308 -9.322 -8.809 1.00 1.00 O ATOM 1864 CB HIS A 119 15.061 -8.191 -6.388 1.00 1.00 C ATOM 1865 CG HIS A 119 14.460 -8.251 -5.010 1.00 1.00 C ATOM 1866 ND1 HIS A 119 15.041 -7.619 -3.922 1.00 1.00 N ATOM 1867 CD2 HIS A 119 13.329 -8.862 -4.529 1.00 1.00 C ATOM 1868 CE1 HIS A 119 14.265 -7.863 -2.849 1.00 1.00 C ATOM 1869 NE2 HIS A 119 13.208 -8.615 -3.164 1.00 1.00 N ATOM 0 H HIS A 119 12.579 -8.538 -6.159 1.00 1.00 H new ATOM 0 HA HIS A 119 14.316 -6.539 -7.608 1.00 1.00 H new ATOM 0 HB2 HIS A 119 15.331 -9.193 -6.722 1.00 1.00 H new ATOM 0 HB3 HIS A 119 15.978 -7.603 -6.371 1.00 1.00 H new ATOM 0 HD2 HIS A 119 12.638 -9.446 -5.119 1.00 1.00 H new ATOM 0 HE1 HIS A 119 14.472 -7.495 -1.855 1.00 1.00 H new ATOM 0 HE2 HIS A 119 12.470 -8.939 -2.539 1.00 1.00 H new ATOM 1877 N ALA A 120 14.792 -7.932 -9.640 1.00 1.00 N ATOM 1878 CA ALA A 120 14.803 -8.652 -10.946 1.00 1.00 C ATOM 1879 C ALA A 120 15.169 -10.123 -10.736 1.00 1.00 C ATOM 1880 O ALA A 120 16.050 -10.450 -9.966 1.00 1.00 O ATOM 1881 CB ALA A 120 15.876 -7.946 -11.777 1.00 1.00 C ATOM 0 H ALA A 120 15.413 -7.125 -9.584 1.00 1.00 H new ATOM 0 HA ALA A 120 13.830 -8.634 -11.436 1.00 1.00 H new ATOM 0 HB1 ALA A 120 15.947 -8.418 -12.757 1.00 1.00 H new ATOM 0 HB2 ALA A 120 15.610 -6.896 -11.898 1.00 1.00 H new ATOM 0 HB3 ALA A 120 16.837 -8.020 -11.269 1.00 1.00 H new ATOM 1887 N SER A 121 14.501 -11.014 -11.416 1.00 1.00 N ATOM 1888 CA SER A 121 14.811 -12.464 -11.254 1.00 1.00 C ATOM 1889 C SER A 121 15.570 -12.981 -12.479 1.00 1.00 C ATOM 1890 O SER A 121 14.990 -13.257 -13.510 1.00 1.00 O ATOM 1891 CB SER A 121 13.450 -13.149 -11.138 1.00 1.00 C ATOM 1892 OG SER A 121 13.327 -13.731 -9.847 1.00 1.00 O ATOM 0 H SER A 121 13.754 -10.801 -12.077 1.00 1.00 H new ATOM 0 HA SER A 121 15.440 -12.658 -10.385 1.00 1.00 H new ATOM 0 HB2 SER A 121 12.651 -12.426 -11.302 1.00 1.00 H new ATOM 0 HB3 SER A 121 13.349 -13.915 -11.906 1.00 1.00 H new ATOM 0 HG SER A 121 12.454 -14.170 -9.768 1.00 1.00 H new ATOM 1898 N LYS A 122 16.864 -13.115 -12.373 1.00 1.00 N ATOM 1899 CA LYS A 122 17.658 -13.615 -13.532 1.00 1.00 C ATOM 1900 C LYS A 122 17.950 -15.109 -13.369 1.00 1.00 C ATOM 1901 O LYS A 122 18.869 -15.500 -12.676 1.00 1.00 O ATOM 1902 CB LYS A 122 18.958 -12.809 -13.499 1.00 1.00 C ATOM 1903 CG LYS A 122 18.743 -11.466 -14.197 1.00 1.00 C ATOM 1904 CD LYS A 122 18.274 -10.428 -13.175 1.00 1.00 C ATOM 1905 CE LYS A 122 17.761 -9.185 -13.907 1.00 1.00 C ATOM 1906 NZ LYS A 122 18.855 -8.813 -14.846 1.00 1.00 N ATOM 0 H LYS A 122 17.405 -12.900 -11.536 1.00 1.00 H new ATOM 0 HA LYS A 122 17.128 -13.496 -14.477 1.00 1.00 H new ATOM 0 HB2 LYS A 122 19.273 -12.649 -12.468 1.00 1.00 H new ATOM 0 HB3 LYS A 122 19.755 -13.364 -13.993 1.00 1.00 H new ATOM 0 HG2 LYS A 122 19.669 -11.136 -14.667 1.00 1.00 H new ATOM 0 HG3 LYS A 122 18.003 -11.571 -14.990 1.00 1.00 H new ATOM 0 HD2 LYS A 122 17.485 -10.847 -12.551 1.00 1.00 H new ATOM 0 HD3 LYS A 122 19.096 -10.159 -12.511 1.00 1.00 H new ATOM 0 HE2 LYS A 122 16.836 -9.396 -14.443 1.00 1.00 H new ATOM 0 HE3 LYS A 122 17.548 -8.376 -13.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 18.776 -7.805 -15.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 19.775 -8.989 -14.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 18.780 -9.385 -15.711 1.00 1.00 H new ATOM 1919 N VAL A 123 17.174 -15.947 -14.000 1.00 1.00 N ATOM 1920 CA VAL A 123 17.408 -17.415 -13.881 1.00 1.00 C ATOM 1921 C VAL A 123 18.131 -17.939 -15.124 1.00 1.00 C ATOM 1922 O VAL A 123 17.611 -17.893 -16.221 1.00 1.00 O ATOM 1923 CB VAL A 123 16.013 -18.031 -13.771 1.00 1.00 C ATOM 1924 CG1 VAL A 123 15.838 -19.096 -14.854 1.00 1.00 C ATOM 1925 CG2 VAL A 123 15.848 -18.675 -12.392 1.00 1.00 C ATOM 0 H VAL A 123 16.388 -15.679 -14.593 1.00 1.00 H new ATOM 0 HA VAL A 123 18.032 -17.665 -13.023 1.00 1.00 H new ATOM 0 HB VAL A 123 15.261 -17.253 -13.902 1.00 1.00 H new ATOM 0 HG11 VAL A 123 14.843 -19.535 -14.775 1.00 1.00 H new ATOM 0 HG12 VAL A 123 15.956 -18.639 -15.836 1.00 1.00 H new ATOM 0 HG13 VAL A 123 16.590 -19.875 -14.723 1.00 1.00 H new ATOM 0 HG21 VAL A 123 14.854 -19.115 -12.312 1.00 1.00 H new ATOM 0 HG22 VAL A 123 16.600 -19.453 -12.261 1.00 1.00 H new ATOM 0 HG23 VAL A 123 15.972 -17.917 -11.619 1.00 1.00 H new ATOM 1935 N ASP A 124 19.326 -18.436 -14.961 1.00 1.00 N ATOM 1936 CA ASP A 124 20.082 -18.962 -16.134 1.00 1.00 C ATOM 1937 C ASP A 124 19.839 -20.466 -16.289 1.00 1.00 C ATOM 1938 O ASP A 124 20.232 -21.204 -15.399 1.00 1.00 O ATOM 1939 CB ASP A 124 21.552 -18.685 -15.816 1.00 1.00 C ATOM 1940 CG ASP A 124 22.228 -18.051 -17.032 1.00 1.00 C ATOM 1941 OD1 ASP A 124 21.939 -16.900 -17.313 1.00 1.00 O ATOM 1942 OD2 ASP A 124 23.023 -18.729 -17.663 1.00 1.00 O ATOM 0 H ASP A 124 19.812 -18.501 -14.067 1.00 1.00 H new ATOM 0 HA ASP A 124 19.773 -18.493 -17.068 1.00 1.00 H new ATOM 0 HB2 ASP A 124 21.630 -18.020 -14.956 1.00 1.00 H new ATOM 0 HB3 ASP A 124 22.058 -19.613 -15.548 1.00 1.00 H new TER 1947 ASP A 124