USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 904 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 102 ASN : amide:sc= 0.31 K(o=1.5,f=-4.1!) USER MOD Set 1.2: A 108 SER OG : rot -107:sc= 1.17 USER MOD Set 2.1: A 78 ASN : amide:sc= -3.57! C(o=-2.4!,f=-4.2!) USER MOD Set 2.2: A 82 LYS NZ :NH3+ -161:sc= 1.19 (180deg=0.973) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 20 THR OG1 : rot 102:sc= 1.26 USER MOD Single : A 21 TYR OH : rot -146:sc= -0.217 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0453 X(o=-0.045,f=-0.047) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.711! K(o=-0.71!,f=-0.064) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.13 (180deg=0.849) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 1.15 K(o=1.4,f=-5.1!) USER MOD Single : A 52 SER OG : rot 77:sc= 0.132 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.538 USER MOD Single : A 54 ASN : amide:sc= -0.722 K(o=-0.72,f=-0.045) USER MOD Single : A 56 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.9!) USER MOD Single : A 59 MET CE :methyl 166:sc= -2.39 (180deg=-3.81!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.536 K(o=0.54,f=-4.7!) USER MOD Single : A 70 ASN : amide:sc= -0.0977 K(o=-0.098,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 62:sc= 0.372 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -125:sc= 1.28 USER MOD Single : A 95 SER OG : rot 180:sc= 0.018 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 2.59 (180deg=1.9) USER MOD Single : A 101 LYS NZ :NH3+ 145:sc= 1.74 (180deg=-0.353) USER MOD Single : A 103 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.9!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 109 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.9!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc=-0.000171 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -162:sc= -0.0442 (180deg=-0.354) USER MOD Single : A 123 SER OG : rot 180:sc= 0.166 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 14 -9.375 -15.116 10.396 1.00 0.00 N ATOM 2 CA ARG A 14 -8.504 -14.908 9.249 1.00 0.00 C ATOM 3 C ARG A 14 -9.300 -14.293 8.099 1.00 0.00 C ATOM 4 O ARG A 14 -10.533 -14.317 8.105 1.00 0.00 O ATOM 5 CB ARG A 14 -7.848 -16.232 8.827 1.00 0.00 C ATOM 6 CG ARG A 14 -8.638 -17.019 7.795 1.00 0.00 C ATOM 7 CD ARG A 14 -8.586 -18.510 8.075 1.00 0.00 C ATOM 8 NE ARG A 14 -9.778 -19.197 7.582 1.00 0.00 N ATOM 9 CZ ARG A 14 -9.822 -19.895 6.447 1.00 0.00 C ATOM 10 NH1 ARG A 14 -8.732 -20.039 5.701 1.00 0.00 N ATOM 11 NH2 ARG A 14 -10.958 -20.465 6.068 1.00 0.00 N ATOM 0 HA ARG A 14 -7.708 -14.216 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.857 -16.021 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.708 -16.853 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.675 -16.683 7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.239 -16.820 6.800 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.700 -18.937 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.489 -18.675 9.148 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.629 -19.139 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.853 -19.614 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.774 -20.575 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.794 -20.369 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.996 -21.000 5.200 1.00 0.00 H new ATOM 25 N ILE A 15 -8.601 -13.739 7.123 1.00 0.00 N ATOM 26 CA ILE A 15 -9.254 -13.077 6.005 1.00 0.00 C ATOM 27 C ILE A 15 -9.137 -13.920 4.740 1.00 0.00 C ATOM 28 O ILE A 15 -8.034 -14.278 4.332 1.00 0.00 O ATOM 29 CB ILE A 15 -8.662 -11.674 5.747 1.00 0.00 C ATOM 30 CG1 ILE A 15 -8.361 -10.964 7.073 1.00 0.00 C ATOM 31 CG2 ILE A 15 -9.623 -10.847 4.907 1.00 0.00 C ATOM 32 CD1 ILE A 15 -6.898 -10.622 7.261 1.00 0.00 C ATOM 0 H ILE A 15 -7.582 -13.734 7.081 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.305 -12.962 6.269 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.726 -11.786 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.949 -10.048 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.685 -11.599 7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.196 -9.860 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.792 -11.344 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.571 -10.743 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.761 -10.122 8.220 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.305 -11.536 7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.573 -9.961 6.458 1.00 0.00 H new ATOM 44 N PRO A 16 -10.282 -14.268 4.124 1.00 0.00 N ATOM 45 CA PRO A 16 -10.319 -15.077 2.899 1.00 0.00 C ATOM 46 C PRO A 16 -9.493 -14.461 1.773 1.00 0.00 C ATOM 47 O PRO A 16 -8.549 -15.072 1.273 1.00 0.00 O ATOM 48 CB PRO A 16 -11.809 -15.112 2.518 1.00 0.00 C ATOM 49 CG PRO A 16 -12.464 -14.053 3.340 1.00 0.00 C ATOM 50 CD PRO A 16 -11.633 -13.912 4.582 1.00 0.00 C ATOM 0 HA PRO A 16 -9.892 -16.067 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.945 -14.921 1.454 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.242 -16.091 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.511 -13.111 2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.489 -14.330 3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.670 -12.897 4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.978 -14.576 5.375 1.00 0.00 H new ATOM 58 N ASN A 17 -9.849 -13.248 1.384 1.00 0.00 N ATOM 59 CA ASN A 17 -9.114 -12.532 0.353 1.00 0.00 C ATOM 60 C ASN A 17 -8.135 -11.565 0.997 1.00 0.00 C ATOM 61 O ASN A 17 -8.497 -10.447 1.365 1.00 0.00 O ATOM 62 CB ASN A 17 -10.078 -11.783 -0.576 1.00 0.00 C ATOM 63 CG ASN A 17 -9.371 -10.825 -1.528 1.00 0.00 C ATOM 64 OD1 ASN A 17 -8.308 -11.132 -2.070 1.00 0.00 O ATOM 65 ND2 ASN A 17 -9.962 -9.659 -1.740 1.00 0.00 N ATOM 0 H ASN A 17 -10.644 -12.737 1.767 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.557 -13.252 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.649 -12.507 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.793 -11.224 0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.537 -8.979 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.842 -9.441 -1.273 1.00 0.00 H new ATOM 72 N ILE A 18 -6.900 -12.012 1.160 1.00 0.00 N ATOM 73 CA ILE A 18 -5.866 -11.180 1.745 1.00 0.00 C ATOM 74 C ILE A 18 -4.992 -10.602 0.651 1.00 0.00 C ATOM 75 O ILE A 18 -4.168 -11.309 0.065 1.00 0.00 O ATOM 76 CB ILE A 18 -4.971 -11.954 2.741 1.00 0.00 C ATOM 77 CG1 ILE A 18 -5.325 -13.445 2.762 1.00 0.00 C ATOM 78 CG2 ILE A 18 -5.091 -11.355 4.132 1.00 0.00 C ATOM 79 CD1 ILE A 18 -4.118 -14.352 2.664 1.00 0.00 C ATOM 0 H ILE A 18 -6.591 -12.947 0.895 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.373 -10.388 2.296 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.937 -11.863 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.865 -13.669 3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.001 -13.662 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.456 -11.909 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.776 -10.312 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.127 -11.413 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.442 -15.392 2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.590 -14.155 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.451 -14.163 3.505 1.00 0.00 H new ATOM 91 N ALA A 19 -5.178 -9.321 0.371 1.00 0.00 N ATOM 92 CA ALA A 19 -4.396 -8.648 -0.648 1.00 0.00 C ATOM 93 C ALA A 19 -3.024 -8.286 -0.100 1.00 0.00 C ATOM 94 O ALA A 19 -2.789 -7.162 0.339 1.00 0.00 O ATOM 95 CB ALA A 19 -5.126 -7.408 -1.146 1.00 0.00 C ATOM 0 H ALA A 19 -5.865 -8.728 0.837 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.262 -9.323 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.526 -6.915 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.087 -7.698 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.289 -6.723 -0.314 1.00 0.00 H new ATOM 101 N THR A 20 -2.123 -9.255 -0.110 1.00 0.00 N ATOM 102 CA THR A 20 -0.777 -9.031 0.367 1.00 0.00 C ATOM 103 C THR A 20 0.185 -8.895 -0.815 1.00 0.00 C ATOM 104 O THR A 20 0.467 -9.854 -1.539 1.00 0.00 O ATOM 105 CB THR A 20 -0.323 -10.138 1.354 1.00 0.00 C ATOM 106 OG1 THR A 20 0.973 -9.834 1.885 1.00 0.00 O ATOM 107 CG2 THR A 20 -0.307 -11.517 0.707 1.00 0.00 C ATOM 0 H THR A 20 -2.303 -10.202 -0.444 1.00 0.00 H new ATOM 0 HA THR A 20 -0.765 -8.095 0.926 1.00 0.00 H new ATOM 0 HB THR A 20 -1.052 -10.162 2.164 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.879 -9.470 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.017 -12.258 1.438 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.309 -11.767 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.382 -11.515 -0.138 1.00 0.00 H new ATOM 115 N TYR A 21 0.653 -7.678 -1.033 1.00 0.00 N ATOM 116 CA TYR A 21 1.519 -7.381 -2.161 1.00 0.00 C ATOM 117 C TYR A 21 2.937 -7.852 -1.883 1.00 0.00 C ATOM 118 O TYR A 21 3.691 -7.193 -1.172 1.00 0.00 O ATOM 119 CB TYR A 21 1.510 -5.882 -2.467 1.00 0.00 C ATOM 120 CG TYR A 21 0.129 -5.332 -2.746 1.00 0.00 C ATOM 121 CD1 TYR A 21 -0.605 -5.776 -3.837 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.438 -4.370 -1.922 1.00 0.00 C ATOM 123 CE1 TYR A 21 -1.865 -5.275 -4.101 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.699 -3.865 -2.177 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.408 -4.322 -3.269 1.00 0.00 C ATOM 126 OH TYR A 21 -3.664 -3.823 -3.532 1.00 0.00 O ATOM 0 H TYR A 21 0.446 -6.875 -0.439 1.00 0.00 H new ATOM 0 HA TYR A 21 1.139 -7.915 -3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.943 -5.344 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.149 -5.691 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.184 -6.526 -4.491 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.115 -4.010 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.422 -5.629 -4.956 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.127 -3.117 -1.526 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.703 -2.880 -3.270 1.00 0.00 H new ATOM 136 N THR A 22 3.279 -9.009 -2.423 1.00 0.00 N ATOM 137 CA THR A 22 4.613 -9.556 -2.273 1.00 0.00 C ATOM 138 C THR A 22 5.435 -9.312 -3.534 1.00 0.00 C ATOM 139 O THR A 22 5.010 -9.652 -4.638 1.00 0.00 O ATOM 140 CB THR A 22 4.552 -11.063 -1.975 1.00 0.00 C ATOM 141 OG1 THR A 22 3.273 -11.387 -1.408 1.00 0.00 O ATOM 142 CG2 THR A 22 5.660 -11.476 -1.017 1.00 0.00 C ATOM 0 H THR A 22 2.645 -9.590 -2.972 1.00 0.00 H new ATOM 0 HA THR A 22 5.092 -9.052 -1.434 1.00 0.00 H new ATOM 0 HB THR A 22 4.690 -11.607 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.233 -12.348 -1.219 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.593 -12.547 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.629 -11.247 -1.461 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.553 -10.930 -0.079 1.00 0.00 H new ATOM 150 N GLY A 23 6.599 -8.710 -3.365 1.00 0.00 N ATOM 151 CA GLY A 23 7.454 -8.407 -4.494 1.00 0.00 C ATOM 152 C GLY A 23 8.820 -7.942 -4.050 1.00 0.00 C ATOM 153 O GLY A 23 9.114 -7.942 -2.857 1.00 0.00 O ATOM 0 H GLY A 23 6.971 -8.423 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.557 -9.293 -5.121 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.988 -7.635 -5.107 1.00 0.00 H new ATOM 157 N THR A 24 9.656 -7.547 -4.997 1.00 0.00 N ATOM 158 CA THR A 24 11.001 -7.096 -4.677 1.00 0.00 C ATOM 159 C THR A 24 11.240 -5.677 -5.184 1.00 0.00 C ATOM 160 O THR A 24 11.175 -5.419 -6.387 1.00 0.00 O ATOM 161 CB THR A 24 12.054 -8.041 -5.280 1.00 0.00 C ATOM 162 OG1 THR A 24 11.414 -9.215 -5.794 1.00 0.00 O ATOM 163 CG2 THR A 24 13.084 -8.436 -4.233 1.00 0.00 C ATOM 0 H THR A 24 9.428 -7.529 -5.991 1.00 0.00 H new ATOM 0 HA THR A 24 11.097 -7.102 -3.591 1.00 0.00 H new ATOM 0 HB THR A 24 12.564 -7.519 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.088 -9.813 -6.179 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.820 -9.105 -4.680 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.585 -7.543 -3.860 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.587 -8.944 -3.407 1.00 0.00 H new ATOM 171 N ILE A 25 11.502 -4.760 -4.264 1.00 0.00 N ATOM 172 CA ILE A 25 11.761 -3.374 -4.624 1.00 0.00 C ATOM 173 C ILE A 25 13.242 -3.185 -4.939 1.00 0.00 C ATOM 174 O ILE A 25 14.105 -3.765 -4.274 1.00 0.00 O ATOM 175 CB ILE A 25 11.318 -2.397 -3.500 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.874 -0.990 -3.735 1.00 0.00 C ATOM 177 CG2 ILE A 25 11.750 -2.907 -2.135 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.064 -0.174 -4.717 1.00 0.00 C ATOM 0 H ILE A 25 11.541 -4.951 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 25 11.172 -3.142 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 25 10.230 -2.344 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.915 -0.461 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.898 -1.070 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.428 -2.205 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.297 -3.881 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.836 -3.001 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.517 0.810 -4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.044 -0.681 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.046 -0.063 -4.345 1.00 0.00 H new ATOM 190 N GLN A 26 13.519 -2.405 -5.977 1.00 0.00 N ATOM 191 CA GLN A 26 14.885 -2.114 -6.382 1.00 0.00 C ATOM 192 C GLN A 26 15.582 -1.271 -5.322 1.00 0.00 C ATOM 193 O GLN A 26 14.982 -0.357 -4.753 1.00 0.00 O ATOM 194 CB GLN A 26 14.895 -1.372 -7.722 1.00 0.00 C ATOM 195 CG GLN A 26 14.378 -2.201 -8.888 1.00 0.00 C ATOM 196 CD GLN A 26 12.915 -1.940 -9.190 1.00 0.00 C ATOM 197 OE1 GLN A 26 12.538 -0.844 -9.603 1.00 0.00 O ATOM 198 NE2 GLN A 26 12.080 -2.947 -8.982 1.00 0.00 N ATOM 0 H GLN A 26 12.807 -1.960 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 26 15.420 -3.057 -6.494 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.288 -0.471 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.913 -1.050 -7.941 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.972 -1.982 -9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.515 -3.259 -8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.434 -3.840 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.083 -2.829 -9.165 1.00 0.00 H new ATOM 207 N GLY A 27 16.845 -1.579 -5.067 1.00 0.00 N ATOM 208 CA GLY A 27 17.593 -0.866 -4.051 1.00 0.00 C ATOM 209 C GLY A 27 17.782 0.600 -4.388 1.00 0.00 C ATOM 210 O GLY A 27 18.107 0.941 -5.529 1.00 0.00 O ATOM 0 H GLY A 27 17.367 -2.312 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.074 -0.952 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.569 -1.335 -3.927 1.00 0.00 H new ATOM 214 N LYS A 28 17.586 1.461 -3.390 1.00 0.00 N ATOM 215 CA LYS A 28 17.692 2.911 -3.559 1.00 0.00 C ATOM 216 C LYS A 28 16.688 3.410 -4.594 1.00 0.00 C ATOM 217 O LYS A 28 17.053 4.042 -5.589 1.00 0.00 O ATOM 218 CB LYS A 28 19.121 3.323 -3.944 1.00 0.00 C ATOM 219 CG LYS A 28 19.425 4.797 -3.697 1.00 0.00 C ATOM 220 CD LYS A 28 19.347 5.149 -2.217 1.00 0.00 C ATOM 221 CE LYS A 28 18.243 6.158 -1.935 1.00 0.00 C ATOM 222 NZ LYS A 28 18.321 6.706 -0.552 1.00 0.00 N ATOM 0 H LYS A 28 17.349 1.173 -2.441 1.00 0.00 H new ATOM 0 HA LYS A 28 17.457 3.376 -2.602 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.829 2.716 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.281 3.100 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.420 5.031 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.719 5.412 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 19.169 4.244 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.304 5.555 -1.889 1.00 0.00 H new ATOM 0 HE2 LYS A 28 18.309 6.976 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.273 5.683 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.550 7.388 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.232 5.930 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.236 7.183 -0.419 1.00 0.00 H new ATOM 236 N GLY A 29 15.423 3.115 -4.353 1.00 0.00 N ATOM 237 CA GLY A 29 14.373 3.572 -5.231 1.00 0.00 C ATOM 238 C GLY A 29 13.022 3.520 -4.559 1.00 0.00 C ATOM 239 O GLY A 29 12.931 3.277 -3.353 1.00 0.00 O ATOM 0 H GLY A 29 15.103 2.562 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.583 4.593 -5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.356 2.956 -6.130 1.00 0.00 H new ATOM 243 N GLU A 30 11.978 3.749 -5.334 1.00 0.00 N ATOM 244 CA GLU A 30 10.621 3.744 -4.817 1.00 0.00 C ATOM 245 C GLU A 30 9.670 3.208 -5.872 1.00 0.00 C ATOM 246 O GLU A 30 10.032 3.112 -7.045 1.00 0.00 O ATOM 247 CB GLU A 30 10.196 5.154 -4.401 1.00 0.00 C ATOM 248 CG GLU A 30 10.937 6.255 -5.141 1.00 0.00 C ATOM 249 CD GLU A 30 11.430 7.342 -4.216 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.590 8.002 -3.564 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.656 7.542 -4.129 1.00 0.00 O ATOM 0 H GLU A 30 12.045 3.943 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 30 10.587 3.099 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.126 5.268 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.360 5.273 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.784 5.824 -5.674 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.278 6.692 -5.891 1.00 0.00 H new ATOM 258 N VAL A 31 8.472 2.835 -5.454 1.00 0.00 N ATOM 259 CA VAL A 31 7.451 2.379 -6.390 1.00 0.00 C ATOM 260 C VAL A 31 6.087 2.932 -6.028 1.00 0.00 C ATOM 261 O VAL A 31 5.817 3.262 -4.867 1.00 0.00 O ATOM 262 CB VAL A 31 7.355 0.837 -6.461 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.444 0.270 -7.356 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.423 0.223 -5.067 1.00 0.00 C ATOM 0 H VAL A 31 8.180 2.838 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 31 7.757 2.753 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 31 6.390 0.578 -6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.357 -0.816 -7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.336 0.675 -8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.421 0.543 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.353 -0.862 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.368 0.494 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.596 0.598 -4.464 1.00 0.00 H new ATOM 274 N CYS A 32 5.236 3.019 -7.036 1.00 0.00 N ATOM 275 CA CYS A 32 3.895 3.545 -6.886 1.00 0.00 C ATOM 276 C CYS A 32 2.867 2.434 -7.062 1.00 0.00 C ATOM 277 O CYS A 32 2.675 1.921 -8.162 1.00 0.00 O ATOM 278 CB CYS A 32 3.651 4.651 -7.917 1.00 0.00 C ATOM 279 SG CYS A 32 5.113 5.065 -8.930 1.00 0.00 S ATOM 0 H CYS A 32 5.460 2.724 -7.986 1.00 0.00 H new ATOM 0 HA CYS A 32 3.792 3.961 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.840 4.344 -8.578 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.316 5.549 -7.398 1.00 0.00 H new ATOM 284 N ILE A 33 2.226 2.049 -5.970 1.00 0.00 N ATOM 285 CA ILE A 33 1.178 1.044 -6.021 1.00 0.00 C ATOM 286 C ILE A 33 0.023 1.448 -5.125 1.00 0.00 C ATOM 287 O ILE A 33 0.095 2.463 -4.434 1.00 0.00 O ATOM 288 CB ILE A 33 1.674 -0.359 -5.602 1.00 0.00 C ATOM 289 CG1 ILE A 33 3.045 -0.278 -4.929 1.00 0.00 C ATOM 290 CG2 ILE A 33 1.723 -1.280 -6.811 1.00 0.00 C ATOM 291 CD1 ILE A 33 3.378 -1.493 -4.091 1.00 0.00 C ATOM 0 H ILE A 33 2.414 2.418 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 33 0.853 0.985 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 33 0.971 -0.770 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.810 -0.154 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.079 0.610 -4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.074 -2.265 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.726 -1.368 -7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.405 -0.868 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.364 -1.367 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.634 -1.606 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.376 -2.382 -4.722 1.00 0.00 H new ATOM 303 N ILE A 34 -1.039 0.654 -5.150 1.00 0.00 N ATOM 304 CA ILE A 34 -2.225 0.908 -4.335 1.00 0.00 C ATOM 305 C ILE A 34 -3.254 -0.196 -4.547 1.00 0.00 C ATOM 306 O ILE A 34 -3.958 -0.591 -3.618 1.00 0.00 O ATOM 307 CB ILE A 34 -2.863 2.289 -4.650 1.00 0.00 C ATOM 308 CG1 ILE A 34 -4.153 2.496 -3.847 1.00 0.00 C ATOM 309 CG2 ILE A 34 -3.137 2.437 -6.140 1.00 0.00 C ATOM 310 CD1 ILE A 34 -3.916 2.986 -2.436 1.00 0.00 C ATOM 0 H ILE A 34 -1.105 -0.181 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.907 0.919 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.149 3.057 -4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.786 3.213 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.702 1.555 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.583 3.413 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.201 2.351 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.823 1.654 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.873 3.110 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.310 2.259 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.395 3.943 -2.466 1.00 0.00 H new ATOM 322 N GLY A 35 -3.323 -0.702 -5.772 1.00 0.00 N ATOM 323 CA GLY A 35 -4.275 -1.742 -6.089 1.00 0.00 C ATOM 324 C GLY A 35 -5.537 -1.173 -6.697 1.00 0.00 C ATOM 325 O GLY A 35 -5.982 -1.621 -7.751 1.00 0.00 O ATOM 0 H GLY A 35 -2.734 -0.408 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.823 -2.451 -6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.524 -2.297 -5.184 1.00 0.00 H new ATOM 329 N ASN A 36 -6.099 -0.173 -6.036 1.00 0.00 N ATOM 330 CA ASN A 36 -7.303 0.488 -6.516 1.00 0.00 C ATOM 331 C ASN A 36 -6.952 1.497 -7.600 1.00 0.00 C ATOM 332 O ASN A 36 -6.166 2.419 -7.380 1.00 0.00 O ATOM 333 CB ASN A 36 -8.034 1.178 -5.359 1.00 0.00 C ATOM 334 CG ASN A 36 -9.083 2.178 -5.822 1.00 0.00 C ATOM 335 OD1 ASN A 36 -9.105 3.322 -5.373 1.00 0.00 O ATOM 336 ND2 ASN A 36 -9.962 1.757 -6.722 1.00 0.00 N ATOM 0 H ASN A 36 -5.737 0.201 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.967 -0.265 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.513 0.421 -4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.305 1.691 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.686 2.390 -7.063 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.914 0.801 -7.073 1.00 0.00 H new ATOM 343 N LYS A 37 -7.530 1.301 -8.773 1.00 0.00 N ATOM 344 CA LYS A 37 -7.304 2.190 -9.899 1.00 0.00 C ATOM 345 C LYS A 37 -8.600 2.898 -10.279 1.00 0.00 C ATOM 346 O LYS A 37 -8.586 4.036 -10.756 1.00 0.00 O ATOM 347 CB LYS A 37 -6.767 1.403 -11.100 1.00 0.00 C ATOM 348 CG LYS A 37 -5.277 1.596 -11.336 1.00 0.00 C ATOM 349 CD LYS A 37 -4.959 1.701 -12.818 1.00 0.00 C ATOM 350 CE LYS A 37 -3.468 1.554 -13.079 1.00 0.00 C ATOM 351 NZ LYS A 37 -3.190 0.679 -14.248 1.00 0.00 N ATOM 0 H LYS A 37 -8.164 0.527 -8.971 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.564 2.936 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.968 0.343 -10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.311 1.706 -11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.940 2.498 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.727 0.760 -10.903 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.503 0.930 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.303 2.663 -13.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.032 2.538 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.984 1.141 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.189 0.766 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.397 -0.309 -13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.789 0.968 -15.048 1.00 0.00 H new ATOM 365 N GLU A 38 -9.719 2.225 -10.050 1.00 0.00 N ATOM 366 CA GLU A 38 -11.020 2.760 -10.411 1.00 0.00 C ATOM 367 C GLU A 38 -11.747 3.291 -9.183 1.00 0.00 C ATOM 368 O GLU A 38 -12.331 2.526 -8.411 1.00 0.00 O ATOM 369 CB GLU A 38 -11.864 1.687 -11.096 1.00 0.00 C ATOM 370 CG GLU A 38 -11.636 1.593 -12.595 1.00 0.00 C ATOM 371 CD GLU A 38 -12.922 1.718 -13.384 1.00 0.00 C ATOM 372 OE1 GLU A 38 -13.950 1.166 -12.941 1.00 0.00 O ATOM 373 OE2 GLU A 38 -12.913 2.365 -14.452 1.00 0.00 O ATOM 0 H GLU A 38 -9.749 1.303 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.866 3.586 -11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.644 0.720 -10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.918 1.893 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.945 2.378 -12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.161 0.640 -12.828 1.00 0.00 H new ATOM 380 N GLY A 39 -11.689 4.600 -8.998 1.00 0.00 N ATOM 381 CA GLY A 39 -12.389 5.226 -7.896 1.00 0.00 C ATOM 382 C GLY A 39 -13.746 5.739 -8.320 1.00 0.00 C ATOM 383 O GLY A 39 -13.842 6.644 -9.151 1.00 0.00 O ATOM 0 H GLY A 39 -11.167 5.243 -9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.508 4.508 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.793 6.051 -7.507 1.00 0.00 H new ATOM 387 N LYS A 40 -14.797 5.163 -7.756 1.00 0.00 N ATOM 388 CA LYS A 40 -16.158 5.508 -8.146 1.00 0.00 C ATOM 389 C LYS A 40 -17.137 5.232 -7.010 1.00 0.00 C ATOM 390 O LYS A 40 -18.064 6.006 -6.772 1.00 0.00 O ATOM 391 CB LYS A 40 -16.569 4.712 -9.388 1.00 0.00 C ATOM 392 CG LYS A 40 -17.467 5.483 -10.346 1.00 0.00 C ATOM 393 CD LYS A 40 -16.702 6.572 -11.084 1.00 0.00 C ATOM 394 CE LYS A 40 -15.805 5.992 -12.167 1.00 0.00 C ATOM 395 NZ LYS A 40 -15.273 7.042 -13.076 1.00 0.00 N ATOM 0 H LYS A 40 -14.735 4.454 -7.026 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.185 6.573 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -15.671 4.399 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.085 3.805 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.905 4.794 -11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.292 5.930 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.407 7.273 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.098 7.137 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.974 5.461 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.366 5.260 -12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.667 6.602 -13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.064 7.533 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.715 7.727 -12.527 1.00 0.00 H new ATOM 409 N THR A 41 -16.930 4.124 -6.320 1.00 0.00 N ATOM 410 CA THR A 41 -17.793 3.732 -5.219 1.00 0.00 C ATOM 411 C THR A 41 -17.336 4.379 -3.909 1.00 0.00 C ATOM 412 O THR A 41 -16.144 4.630 -3.716 1.00 0.00 O ATOM 413 CB THR A 41 -17.808 2.200 -5.067 1.00 0.00 C ATOM 414 OG1 THR A 41 -17.462 1.584 -6.319 1.00 0.00 O ATOM 415 CG2 THR A 41 -19.175 1.710 -4.623 1.00 0.00 C ATOM 0 H THR A 41 -16.165 3.475 -6.505 1.00 0.00 H new ATOM 0 HA THR A 41 -18.802 4.078 -5.444 1.00 0.00 H new ATOM 0 HB THR A 41 -17.078 1.926 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.471 0.609 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.158 0.625 -4.523 1.00 0.00 H new ATOM 0 HG22 THR A 41 -19.428 2.159 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.922 1.995 -5.364 1.00 0.00 H new ATOM 423 N ARG A 42 -18.284 4.659 -3.023 1.00 0.00 N ATOM 424 CA ARG A 42 -17.967 5.251 -1.732 1.00 0.00 C ATOM 425 C ARG A 42 -17.391 4.193 -0.793 1.00 0.00 C ATOM 426 O ARG A 42 -18.124 3.384 -0.222 1.00 0.00 O ATOM 427 CB ARG A 42 -19.212 5.893 -1.119 1.00 0.00 C ATOM 428 CG ARG A 42 -18.944 6.632 0.182 1.00 0.00 C ATOM 429 CD ARG A 42 -20.131 6.539 1.127 1.00 0.00 C ATOM 430 NE ARG A 42 -20.316 5.183 1.651 1.00 0.00 N ATOM 431 CZ ARG A 42 -21.288 4.353 1.264 1.00 0.00 C ATOM 432 NH1 ARG A 42 -22.189 4.731 0.363 1.00 0.00 N ATOM 433 NH2 ARG A 42 -21.366 3.135 1.786 1.00 0.00 N ATOM 0 H ARG A 42 -19.277 4.485 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.218 6.029 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -19.643 6.589 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -19.958 5.119 -0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -18.060 6.215 0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -18.727 7.679 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -19.988 7.231 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -21.035 6.851 0.604 1.00 0.00 H new ATOM 0 HE ARG A 42 -19.659 4.851 2.358 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -22.144 5.666 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -22.926 4.086 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.684 2.834 2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -22.108 2.500 1.491 1.00 0.00 H new ATOM 447 N GLY A 43 -16.075 4.198 -0.660 1.00 0.00 N ATOM 448 CA GLY A 43 -15.400 3.233 0.181 1.00 0.00 C ATOM 449 C GLY A 43 -14.074 2.816 -0.415 1.00 0.00 C ATOM 450 O GLY A 43 -13.978 2.607 -1.625 1.00 0.00 O ATOM 0 H GLY A 43 -15.456 4.861 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.238 3.660 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.034 2.356 0.313 1.00 0.00 H new ATOM 454 N GLY A 44 -13.051 2.703 0.417 1.00 0.00 N ATOM 455 CA GLY A 44 -11.733 2.372 -0.085 1.00 0.00 C ATOM 456 C GLY A 44 -10.820 1.809 0.984 1.00 0.00 C ATOM 457 O GLY A 44 -11.239 1.599 2.125 1.00 0.00 O ATOM 0 H GLY A 44 -13.108 2.834 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.829 1.647 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.277 3.266 -0.512 1.00 0.00 H new ATOM 461 N GLU A 45 -9.568 1.592 0.610 1.00 0.00 N ATOM 462 CA GLU A 45 -8.579 0.981 1.486 1.00 0.00 C ATOM 463 C GLU A 45 -7.569 2.028 1.958 1.00 0.00 C ATOM 464 O GLU A 45 -7.327 3.019 1.263 1.00 0.00 O ATOM 465 CB GLU A 45 -7.880 -0.161 0.728 1.00 0.00 C ATOM 466 CG GLU A 45 -6.626 -0.705 1.397 1.00 0.00 C ATOM 467 CD GLU A 45 -6.937 -1.451 2.674 1.00 0.00 C ATOM 468 OE1 GLU A 45 -7.105 -0.784 3.716 1.00 0.00 O ATOM 469 OE2 GLU A 45 -7.022 -2.691 2.636 1.00 0.00 O ATOM 0 H GLU A 45 -9.208 1.835 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.069 0.573 2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.589 -0.979 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.617 0.192 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.108 -1.371 0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.947 0.119 1.616 1.00 0.00 H new ATOM 476 N LEU A 46 -7.007 1.814 3.147 1.00 0.00 N ATOM 477 CA LEU A 46 -5.972 2.690 3.686 1.00 0.00 C ATOM 478 C LEU A 46 -5.247 2.029 4.862 1.00 0.00 C ATOM 479 O LEU A 46 -4.517 2.687 5.607 1.00 0.00 O ATOM 480 CB LEU A 46 -6.556 4.041 4.116 1.00 0.00 C ATOM 481 CG LEU A 46 -5.611 5.226 3.919 1.00 0.00 C ATOM 482 CD1 LEU A 46 -5.192 5.327 2.462 1.00 0.00 C ATOM 483 CD2 LEU A 46 -6.261 6.520 4.381 1.00 0.00 C ATOM 0 H LEU A 46 -7.255 1.035 3.758 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.249 2.867 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.471 4.224 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.835 3.985 5.168 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.721 5.061 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.519 6.175 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.681 4.411 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.075 5.468 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.569 7.349 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.169 6.697 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.511 6.444 5.439 1.00 0.00 H new ATOM 495 N TYR A 47 -5.447 0.729 5.020 1.00 0.00 N ATOM 496 CA TYR A 47 -4.769 -0.047 6.047 1.00 0.00 C ATOM 497 C TYR A 47 -3.756 -0.968 5.382 1.00 0.00 C ATOM 498 O TYR A 47 -4.086 -1.697 4.452 1.00 0.00 O ATOM 499 CB TYR A 47 -5.798 -0.848 6.860 1.00 0.00 C ATOM 500 CG TYR A 47 -5.229 -2.027 7.623 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.370 -1.837 8.699 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.569 -3.329 7.275 1.00 0.00 C ATOM 503 CE1 TYR A 47 -3.859 -2.911 9.403 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.065 -4.408 7.975 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.211 -4.193 9.038 1.00 0.00 C ATOM 506 OH TYR A 47 -3.712 -5.265 9.743 1.00 0.00 O ATOM 0 H TYR A 47 -6.084 0.183 4.440 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.243 0.616 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.283 -0.176 7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.572 -1.211 6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.097 -0.833 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.238 -3.500 6.444 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.188 -2.747 10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.338 -5.414 7.692 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.057 -6.098 9.359 1.00 0.00 H new ATOM 516 N ALA A 48 -2.519 -0.933 5.851 1.00 0.00 N ATOM 517 CA ALA A 48 -1.457 -1.666 5.193 1.00 0.00 C ATOM 518 C ALA A 48 -0.351 -2.013 6.168 1.00 0.00 C ATOM 519 O ALA A 48 0.133 -1.150 6.905 1.00 0.00 O ATOM 520 CB ALA A 48 -0.899 -0.859 4.031 1.00 0.00 C ATOM 0 H ALA A 48 -2.230 -0.409 6.677 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.876 -2.596 4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.102 -1.423 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.693 -0.661 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.502 0.086 4.402 1.00 0.00 H new ATOM 526 N VAL A 49 0.027 -3.273 6.175 1.00 0.00 N ATOM 527 CA VAL A 49 1.122 -3.747 6.999 1.00 0.00 C ATOM 528 C VAL A 49 2.289 -4.163 6.118 1.00 0.00 C ATOM 529 O VAL A 49 2.193 -5.141 5.380 1.00 0.00 O ATOM 530 CB VAL A 49 0.703 -4.960 7.851 1.00 0.00 C ATOM 531 CG1 VAL A 49 1.782 -5.305 8.866 1.00 0.00 C ATOM 532 CG2 VAL A 49 -0.625 -4.708 8.542 1.00 0.00 C ATOM 0 H VAL A 49 -0.415 -3.999 5.611 1.00 0.00 H new ATOM 0 HA VAL A 49 1.411 -2.930 7.661 1.00 0.00 H new ATOM 0 HB VAL A 49 0.578 -5.812 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.465 -6.164 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.709 -5.545 8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.947 -4.453 9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.897 -5.580 9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.537 -3.838 9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.396 -4.525 7.793 1.00 0.00 H new ATOM 542 N LEU A 50 3.386 -3.432 6.182 1.00 0.00 N ATOM 543 CA LEU A 50 4.557 -3.800 5.402 1.00 0.00 C ATOM 544 C LEU A 50 5.292 -4.915 6.127 1.00 0.00 C ATOM 545 O LEU A 50 5.526 -4.814 7.323 1.00 0.00 O ATOM 546 CB LEU A 50 5.493 -2.597 5.187 1.00 0.00 C ATOM 547 CG LEU A 50 5.883 -2.304 3.724 1.00 0.00 C ATOM 548 CD1 LEU A 50 7.289 -1.711 3.640 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.791 -3.563 2.871 1.00 0.00 C ATOM 0 H LEU A 50 3.493 -2.594 6.754 1.00 0.00 H new ATOM 0 HA LEU A 50 4.234 -4.139 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.014 -1.709 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.405 -2.763 5.760 1.00 0.00 H new ATOM 0 HG LEU A 50 5.176 -1.572 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.539 -1.514 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.325 -0.779 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.007 -2.416 4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.071 -3.328 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.467 -4.321 3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.769 -3.942 2.891 1.00 0.00 H new ATOM 561 N HIS A 51 5.596 -5.992 5.418 1.00 0.00 N ATOM 562 CA HIS A 51 6.422 -7.066 5.961 1.00 0.00 C ATOM 563 C HIS A 51 7.622 -7.280 5.057 1.00 0.00 C ATOM 564 O HIS A 51 7.714 -6.671 3.990 1.00 0.00 O ATOM 565 CB HIS A 51 5.657 -8.392 6.062 1.00 0.00 C ATOM 566 CG HIS A 51 4.452 -8.377 6.948 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.517 -8.409 8.325 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.137 -8.397 6.634 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.290 -8.454 8.815 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.434 -8.448 7.808 1.00 0.00 N ATOM 0 H HIS A 51 5.282 -6.148 4.460 1.00 0.00 H new ATOM 0 HA HIS A 51 6.726 -6.766 6.964 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.346 -8.688 5.060 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.342 -9.159 6.423 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.375 -8.399 8.877 1.00 0.00 H new ATOM 0 HD2 HIS A 51 2.718 -8.376 5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.031 -8.490 9.863 1.00 0.00 H new ATOM 579 N SER A 52 8.523 -8.152 5.469 1.00 0.00 N ATOM 580 CA SER A 52 9.673 -8.499 4.654 1.00 0.00 C ATOM 581 C SER A 52 10.215 -9.855 5.071 1.00 0.00 C ATOM 582 O SER A 52 10.038 -10.267 6.218 1.00 0.00 O ATOM 583 CB SER A 52 10.772 -7.442 4.793 1.00 0.00 C ATOM 584 OG SER A 52 10.949 -7.054 6.148 1.00 0.00 O ATOM 0 H SER A 52 8.481 -8.635 6.367 1.00 0.00 H new ATOM 0 HA SER A 52 9.355 -8.540 3.612 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.709 -7.836 4.400 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.517 -6.568 4.193 1.00 0.00 H new ATOM 0 HG SER A 52 11.455 -7.746 6.623 1.00 0.00 H new ATOM 590 N THR A 53 10.875 -10.538 4.146 1.00 0.00 N ATOM 591 CA THR A 53 11.580 -11.773 4.458 1.00 0.00 C ATOM 592 C THR A 53 12.927 -11.451 5.107 1.00 0.00 C ATOM 593 O THR A 53 13.957 -12.042 4.781 1.00 0.00 O ATOM 594 CB THR A 53 11.796 -12.597 3.181 1.00 0.00 C ATOM 595 OG1 THR A 53 11.163 -11.935 2.076 1.00 0.00 O ATOM 596 CG2 THR A 53 11.230 -14.001 3.336 1.00 0.00 C ATOM 0 H THR A 53 10.937 -10.255 3.168 1.00 0.00 H new ATOM 0 HA THR A 53 10.979 -12.357 5.154 1.00 0.00 H new ATOM 0 HB THR A 53 12.867 -12.682 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.301 -12.458 1.259 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.396 -14.564 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.728 -14.504 4.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.160 -13.942 3.537 1.00 0.00 H new ATOM 604 N ASN A 54 12.883 -10.499 6.031 1.00 0.00 N ATOM 605 CA ASN A 54 14.062 -9.939 6.676 1.00 0.00 C ATOM 606 C ASN A 54 13.628 -9.290 7.983 1.00 0.00 C ATOM 607 O ASN A 54 12.446 -8.986 8.149 1.00 0.00 O ATOM 608 CB ASN A 54 14.706 -8.858 5.790 1.00 0.00 C ATOM 609 CG ASN A 54 15.531 -9.403 4.637 1.00 0.00 C ATOM 610 OD1 ASN A 54 16.516 -10.111 4.837 1.00 0.00 O ATOM 611 ND2 ASN A 54 15.134 -9.060 3.416 1.00 0.00 N ATOM 0 H ASN A 54 12.009 -10.087 6.359 1.00 0.00 H new ATOM 0 HA ASN A 54 14.786 -10.736 6.848 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.920 -8.219 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.343 -8.228 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.653 -9.386 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.311 -8.470 3.294 1.00 0.00 H new ATOM 618 N VAL A 55 14.560 -9.085 8.905 1.00 0.00 N ATOM 619 CA VAL A 55 14.271 -8.296 10.101 1.00 0.00 C ATOM 620 C VAL A 55 14.011 -6.857 9.678 1.00 0.00 C ATOM 621 O VAL A 55 12.972 -6.272 9.982 1.00 0.00 O ATOM 622 CB VAL A 55 15.437 -8.343 11.114 1.00 0.00 C ATOM 623 CG1 VAL A 55 15.220 -7.349 12.248 1.00 0.00 C ATOM 624 CG2 VAL A 55 15.610 -9.748 11.664 1.00 0.00 C ATOM 0 H VAL A 55 15.512 -9.448 8.852 1.00 0.00 H new ATOM 0 HA VAL A 55 13.395 -8.716 10.595 1.00 0.00 H new ATOM 0 HB VAL A 55 16.349 -8.061 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.056 -7.404 12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.154 -6.340 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 14.295 -7.590 12.771 1.00 0.00 H new ATOM 0 HG21 VAL A 55 16.436 -9.761 12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.693 -10.058 12.166 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.825 -10.435 10.846 1.00 0.00 H new ATOM 634 N ASN A 56 14.979 -6.311 8.966 1.00 0.00 N ATOM 635 CA ASN A 56 14.823 -5.058 8.259 1.00 0.00 C ATOM 636 C ASN A 56 15.563 -5.171 6.948 1.00 0.00 C ATOM 637 O ASN A 56 16.791 -5.167 6.917 1.00 0.00 O ATOM 638 CB ASN A 56 15.337 -3.841 9.057 1.00 0.00 C ATOM 639 CG ASN A 56 16.731 -4.025 9.643 1.00 0.00 C ATOM 640 OD1 ASN A 56 16.912 -4.705 10.651 1.00 0.00 O ATOM 641 ND2 ASN A 56 17.722 -3.402 9.020 1.00 0.00 N ATOM 0 H ASN A 56 15.903 -6.730 8.863 1.00 0.00 H new ATOM 0 HA ASN A 56 13.758 -4.884 8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.341 -2.968 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.639 -3.630 9.867 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.675 -3.478 9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.531 -2.847 8.186 1.00 0.00 H new ATOM 648 N ALA A 57 14.817 -5.352 5.872 1.00 0.00 N ATOM 649 CA ALA A 57 15.419 -5.420 4.557 1.00 0.00 C ATOM 650 C ALA A 57 16.112 -4.103 4.270 1.00 0.00 C ATOM 651 O ALA A 57 17.331 -4.000 4.414 1.00 0.00 O ATOM 652 CB ALA A 57 14.369 -5.735 3.507 1.00 0.00 C ATOM 0 H ALA A 57 13.802 -5.453 5.884 1.00 0.00 H new ATOM 0 HA ALA A 57 16.156 -6.223 4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.839 -5.782 2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.904 -6.695 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.608 -4.955 3.508 1.00 0.00 H new ATOM 658 N ASP A 58 15.312 -3.103 3.904 1.00 0.00 N ATOM 659 CA ASP A 58 15.771 -1.722 3.752 1.00 0.00 C ATOM 660 C ASP A 58 14.724 -0.897 3.018 1.00 0.00 C ATOM 661 O ASP A 58 15.020 -0.247 2.033 1.00 0.00 O ATOM 662 CB ASP A 58 17.130 -1.624 3.023 1.00 0.00 C ATOM 663 CG ASP A 58 17.098 -2.063 1.567 1.00 0.00 C ATOM 664 OD1 ASP A 58 16.369 -3.023 1.240 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.809 -1.442 0.745 1.00 0.00 O ATOM 0 H ASP A 58 14.320 -3.228 3.703 1.00 0.00 H new ATOM 0 HA ASP A 58 15.915 -1.323 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.480 -0.593 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.859 -2.233 3.557 1.00 0.00 H new ATOM 670 N MET A 59 13.494 -0.900 3.504 1.00 0.00 N ATOM 671 CA MET A 59 12.436 -0.155 2.834 1.00 0.00 C ATOM 672 C MET A 59 11.436 0.429 3.823 1.00 0.00 C ATOM 673 O MET A 59 11.269 -0.081 4.931 1.00 0.00 O ATOM 674 CB MET A 59 11.721 -1.042 1.810 1.00 0.00 C ATOM 675 CG MET A 59 10.799 -2.079 2.430 1.00 0.00 C ATOM 676 SD MET A 59 11.695 -3.488 3.112 1.00 0.00 S ATOM 677 CE MET A 59 10.851 -4.837 2.293 1.00 0.00 C ATOM 0 H MET A 59 13.204 -1.400 4.345 1.00 0.00 H new ATOM 0 HA MET A 59 12.905 0.680 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.141 -0.409 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.468 -1.552 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.211 -1.611 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 59 10.096 -2.432 1.675 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.432 -5.752 2.406 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.866 -4.975 2.740 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.740 -4.607 1.233 1.00 0.00 H new ATOM 687 N THR A 60 10.795 1.514 3.411 1.00 0.00 N ATOM 688 CA THR A 60 9.772 2.170 4.208 1.00 0.00 C ATOM 689 C THR A 60 8.503 2.366 3.392 1.00 0.00 C ATOM 690 O THR A 60 8.552 2.704 2.208 1.00 0.00 O ATOM 691 CB THR A 60 10.245 3.543 4.722 1.00 0.00 C ATOM 692 OG1 THR A 60 11.673 3.543 4.883 1.00 0.00 O ATOM 693 CG2 THR A 60 9.570 3.887 6.044 1.00 0.00 C ATOM 0 H THR A 60 10.971 1.964 2.513 1.00 0.00 H new ATOM 0 HA THR A 60 9.571 1.523 5.062 1.00 0.00 H new ATOM 0 HB THR A 60 9.968 4.299 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.966 4.420 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.919 4.861 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.489 3.918 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.818 3.129 6.787 1.00 0.00 H new ATOM 701 N LEU A 61 7.378 2.128 4.032 1.00 0.00 N ATOM 702 CA LEU A 61 6.081 2.380 3.436 1.00 0.00 C ATOM 703 C LEU A 61 5.755 3.856 3.592 1.00 0.00 C ATOM 704 O LEU A 61 6.161 4.467 4.578 1.00 0.00 O ATOM 705 CB LEU A 61 5.012 1.540 4.146 1.00 0.00 C ATOM 706 CG LEU A 61 4.020 0.803 3.245 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.964 0.118 4.094 1.00 0.00 C ATOM 708 CD2 LEU A 61 3.356 1.755 2.269 1.00 0.00 C ATOM 0 H LEU A 61 7.336 1.754 4.980 1.00 0.00 H new ATOM 0 HA LEU A 61 6.099 2.110 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.516 0.805 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.449 2.194 4.811 1.00 0.00 H new ATOM 0 HG LEU A 61 4.570 0.056 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.260 -0.405 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.443 -0.597 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.430 0.864 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.656 1.203 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.818 2.526 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.116 2.221 1.642 1.00 0.00 H new ATOM 720 N ILE A 62 5.072 4.442 2.616 1.00 0.00 N ATOM 721 CA ILE A 62 4.590 5.806 2.755 1.00 0.00 C ATOM 722 C ILE A 62 3.160 5.951 2.231 1.00 0.00 C ATOM 723 O ILE A 62 2.832 5.499 1.134 1.00 0.00 O ATOM 724 CB ILE A 62 5.540 6.827 2.081 1.00 0.00 C ATOM 725 CG1 ILE A 62 6.293 7.601 3.161 1.00 0.00 C ATOM 726 CG2 ILE A 62 4.788 7.788 1.170 1.00 0.00 C ATOM 727 CD1 ILE A 62 7.649 7.019 3.491 1.00 0.00 C ATOM 0 H ILE A 62 4.842 3.997 1.728 1.00 0.00 H new ATOM 0 HA ILE A 62 4.577 6.031 3.821 1.00 0.00 H new ATOM 0 HB ILE A 62 6.245 6.278 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.420 8.633 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.688 7.626 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.492 8.487 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.281 7.225 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.052 8.341 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.125 7.621 4.265 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.529 5.996 3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.273 7.020 2.597 1.00 0.00 H new ATOM 739 N LEU A 63 2.303 6.541 3.063 1.00 0.00 N ATOM 740 CA LEU A 63 0.943 6.867 2.675 1.00 0.00 C ATOM 741 C LEU A 63 0.891 8.302 2.226 1.00 0.00 C ATOM 742 O LEU A 63 0.979 9.201 3.055 1.00 0.00 O ATOM 743 CB LEU A 63 0.003 6.707 3.865 1.00 0.00 C ATOM 744 CG LEU A 63 -1.427 6.301 3.556 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.329 6.573 4.752 1.00 0.00 C ATOM 746 CD2 LEU A 63 -1.957 7.002 2.317 1.00 0.00 C ATOM 0 H LEU A 63 2.537 6.803 4.021 1.00 0.00 H new ATOM 0 HA LEU A 63 0.636 6.197 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.430 5.963 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.022 7.652 4.408 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.428 5.230 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.350 6.276 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.977 6.002 5.611 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.307 7.636 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.983 6.684 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.933 8.081 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.335 6.744 1.459 1.00 0.00 H new ATOM 758 N LEU A 64 0.742 8.526 0.939 1.00 0.00 N ATOM 759 CA LEU A 64 0.659 9.879 0.442 1.00 0.00 C ATOM 760 C LEU A 64 -0.543 10.054 -0.468 1.00 0.00 C ATOM 761 O LEU A 64 -0.993 9.112 -1.119 1.00 0.00 O ATOM 762 CB LEU A 64 1.939 10.274 -0.292 1.00 0.00 C ATOM 763 CG LEU A 64 2.071 11.770 -0.576 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.344 12.323 0.030 1.00 0.00 C ATOM 765 CD2 LEU A 64 2.037 12.026 -2.066 1.00 0.00 C ATOM 0 H LEU A 64 0.677 7.799 0.227 1.00 0.00 H new ATOM 0 HA LEU A 64 0.538 10.537 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.796 9.952 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.983 9.732 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 64 1.227 12.283 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.416 13.389 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.329 12.171 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.204 11.808 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.132 13.096 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.862 11.499 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.092 11.668 -2.475 1.00 0.00 H new ATOM 777 N ARG A 65 -1.058 11.267 -0.491 1.00 0.00 N ATOM 778 CA ARG A 65 -2.155 11.621 -1.363 1.00 0.00 C ATOM 779 C ARG A 65 -1.688 12.719 -2.313 1.00 0.00 C ATOM 780 O ARG A 65 -1.487 13.864 -1.909 1.00 0.00 O ATOM 781 CB ARG A 65 -3.351 12.079 -0.513 1.00 0.00 C ATOM 782 CG ARG A 65 -4.368 12.932 -1.253 1.00 0.00 C ATOM 783 CD ARG A 65 -4.304 14.393 -0.817 1.00 0.00 C ATOM 784 NE ARG A 65 -4.090 14.554 0.626 1.00 0.00 N ATOM 785 CZ ARG A 65 -2.971 15.050 1.162 1.00 0.00 C ATOM 786 NH1 ARG A 65 -1.931 15.346 0.387 1.00 0.00 N ATOM 787 NH2 ARG A 65 -2.889 15.239 2.473 1.00 0.00 N ATOM 0 H ARG A 65 -0.726 12.033 0.095 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.474 10.763 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.856 11.198 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.977 12.643 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.188 12.864 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.370 12.542 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.498 14.892 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.232 14.891 -1.099 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.840 14.271 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.986 15.195 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.079 15.724 0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.681 15.006 3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.034 15.618 2.881 1.00 0.00 H new ATOM 801 N ASN A 66 -1.483 12.359 -3.564 1.00 0.00 N ATOM 802 CA ASN A 66 -1.044 13.314 -4.568 1.00 0.00 C ATOM 803 C ASN A 66 -1.885 13.170 -5.819 1.00 0.00 C ATOM 804 O ASN A 66 -2.560 12.158 -5.994 1.00 0.00 O ATOM 805 CB ASN A 66 0.436 13.116 -4.908 1.00 0.00 C ATOM 806 CG ASN A 66 1.011 14.274 -5.698 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.745 15.437 -5.398 1.00 0.00 O ATOM 808 ND2 ASN A 66 1.779 13.968 -6.728 1.00 0.00 N ATOM 0 H ASN A 66 -1.613 11.409 -3.913 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.168 14.318 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.004 12.992 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.554 12.196 -5.481 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.175 14.709 -7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.976 12.991 -6.944 1.00 0.00 H new ATOM 815 N VAL A 67 -1.835 14.179 -6.676 1.00 0.00 N ATOM 816 CA VAL A 67 -2.542 14.150 -7.944 1.00 0.00 C ATOM 817 C VAL A 67 -2.408 15.492 -8.659 1.00 0.00 C ATOM 818 O VAL A 67 -2.547 15.578 -9.880 1.00 0.00 O ATOM 819 CB VAL A 67 -4.030 13.775 -7.746 1.00 0.00 C ATOM 820 CG1 VAL A 67 -4.819 14.929 -7.140 1.00 0.00 C ATOM 821 CG2 VAL A 67 -4.656 13.318 -9.052 1.00 0.00 C ATOM 0 H VAL A 67 -1.306 15.035 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.088 13.380 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.068 12.943 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.860 14.632 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.396 15.189 -6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.766 15.793 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.702 13.061 -8.884 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.593 14.121 -9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.123 12.444 -9.425 1.00 0.00 H new ATOM 831 N GLY A 68 -2.118 16.538 -7.892 1.00 0.00 N ATOM 832 CA GLY A 68 -1.879 17.842 -8.473 1.00 0.00 C ATOM 833 C GLY A 68 -0.483 18.352 -8.174 1.00 0.00 C ATOM 834 O GLY A 68 -0.200 19.537 -8.343 1.00 0.00 O ATOM 0 H GLY A 68 -2.045 16.503 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.022 17.789 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.613 18.550 -8.089 1.00 0.00 H new ATOM 838 N GLY A 69 0.393 17.455 -7.733 1.00 0.00 N ATOM 839 CA GLY A 69 1.743 17.848 -7.369 1.00 0.00 C ATOM 840 C GLY A 69 2.808 17.120 -8.168 1.00 0.00 C ATOM 841 O GLY A 69 3.998 17.261 -7.885 1.00 0.00 O ATOM 0 H GLY A 69 0.192 16.461 -7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.856 18.922 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.898 17.655 -6.307 1.00 0.00 H new ATOM 845 N ASN A 70 2.368 16.341 -9.161 1.00 0.00 N ATOM 846 CA ASN A 70 3.263 15.585 -10.050 1.00 0.00 C ATOM 847 C ASN A 70 4.001 14.461 -9.320 1.00 0.00 C ATOM 848 O ASN A 70 4.682 14.686 -8.319 1.00 0.00 O ATOM 849 CB ASN A 70 4.275 16.509 -10.733 1.00 0.00 C ATOM 850 CG ASN A 70 4.639 16.033 -12.125 1.00 0.00 C ATOM 851 OD1 ASN A 70 3.793 15.520 -12.861 1.00 0.00 O ATOM 852 ND2 ASN A 70 5.898 16.200 -12.499 1.00 0.00 N ATOM 0 H ASN A 70 1.378 16.215 -9.374 1.00 0.00 H new ATOM 0 HA ASN A 70 2.626 15.129 -10.807 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.862 17.516 -10.792 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.177 16.569 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.199 15.900 -13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.567 16.629 -11.860 1.00 0.00 H new ATOM 859 N GLY A 71 3.857 13.246 -9.834 1.00 0.00 N ATOM 860 CA GLY A 71 4.552 12.102 -9.268 1.00 0.00 C ATOM 861 C GLY A 71 3.986 11.682 -7.928 1.00 0.00 C ATOM 862 O GLY A 71 2.786 11.793 -7.695 1.00 0.00 O ATOM 0 H GLY A 71 3.268 13.030 -10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.491 11.264 -9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.608 12.344 -9.152 1.00 0.00 H new ATOM 866 N TRP A 72 4.850 11.191 -7.047 1.00 0.00 N ATOM 867 CA TRP A 72 4.447 10.792 -5.703 1.00 0.00 C ATOM 868 C TRP A 72 5.569 11.092 -4.721 1.00 0.00 C ATOM 869 O TRP A 72 6.747 11.042 -5.082 1.00 0.00 O ATOM 870 CB TRP A 72 4.112 9.301 -5.632 1.00 0.00 C ATOM 871 CG TRP A 72 3.098 8.840 -6.635 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.336 8.054 -7.724 1.00 0.00 C ATOM 873 CD2 TRP A 72 1.686 9.120 -6.641 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.167 7.834 -8.407 1.00 0.00 N ATOM 875 CE2 TRP A 72 1.143 8.470 -7.764 1.00 0.00 C ATOM 876 CE3 TRP A 72 0.827 9.855 -5.814 1.00 0.00 C ATOM 877 CZ2 TRP A 72 -0.212 8.525 -8.076 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -0.516 9.907 -6.126 1.00 0.00 C ATOM 879 CH2 TRP A 72 -1.025 9.245 -7.247 1.00 0.00 C ATOM 0 H TRP A 72 5.842 11.059 -7.242 1.00 0.00 H new ATOM 0 HA TRP A 72 3.552 11.359 -5.445 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.029 8.729 -5.773 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.744 9.072 -4.632 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.302 7.663 -8.007 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.076 7.283 -9.260 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.210 10.372 -4.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.607 8.016 -8.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -1.186 10.469 -5.493 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.082 9.304 -7.462 1.00 0.00 H new ATOM 890 N GLY A 73 5.205 11.369 -3.479 1.00 0.00 N ATOM 891 CA GLY A 73 6.187 11.717 -2.471 1.00 0.00 C ATOM 892 C GLY A 73 6.030 10.893 -1.207 1.00 0.00 C ATOM 893 O GLY A 73 5.198 9.989 -1.157 1.00 0.00 O ATOM 0 H GLY A 73 4.240 11.359 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.188 11.570 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.094 12.775 -2.226 1.00 0.00 H new ATOM 897 N GLU A 74 6.831 11.200 -0.192 1.00 0.00 N ATOM 898 CA GLU A 74 6.759 10.503 1.091 1.00 0.00 C ATOM 899 C GLU A 74 6.032 11.342 2.141 1.00 0.00 C ATOM 900 O GLU A 74 6.140 12.569 2.138 1.00 0.00 O ATOM 901 CB GLU A 74 8.163 10.169 1.599 1.00 0.00 C ATOM 902 CG GLU A 74 9.094 9.628 0.528 1.00 0.00 C ATOM 903 CD GLU A 74 10.365 10.439 0.408 1.00 0.00 C ATOM 904 OE1 GLU A 74 11.044 10.650 1.433 1.00 0.00 O ATOM 905 OE2 GLU A 74 10.692 10.868 -0.715 1.00 0.00 O ATOM 0 H GLU A 74 7.542 11.931 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 74 6.199 9.582 0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.605 11.067 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.083 9.435 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.347 8.593 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.577 9.624 -0.431 1.00 0.00 H new ATOM 912 N ILE A 75 5.288 10.682 3.030 1.00 0.00 N ATOM 913 CA ILE A 75 4.743 11.351 4.207 1.00 0.00 C ATOM 914 C ILE A 75 4.373 10.354 5.329 1.00 0.00 C ATOM 915 O ILE A 75 5.242 9.977 6.114 1.00 0.00 O ATOM 916 CB ILE A 75 3.570 12.323 3.874 1.00 0.00 C ATOM 917 CG1 ILE A 75 3.063 13.017 5.143 1.00 0.00 C ATOM 918 CG2 ILE A 75 2.430 11.626 3.159 1.00 0.00 C ATOM 919 CD1 ILE A 75 2.877 14.512 4.983 1.00 0.00 C ATOM 0 H ILE A 75 5.052 9.692 2.957 1.00 0.00 H new ATOM 0 HA ILE A 75 5.549 11.977 4.591 1.00 0.00 H new ATOM 0 HB ILE A 75 3.965 13.077 3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.113 12.570 5.437 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.767 12.832 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.638 12.345 2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.793 11.202 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.038 10.829 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.517 14.936 5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.830 14.971 4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.151 14.706 4.194 1.00 0.00 H new ATOM 931 N LYS A 76 3.118 9.899 5.419 1.00 0.00 N ATOM 932 CA LYS A 76 2.680 9.217 6.638 1.00 0.00 C ATOM 933 C LYS A 76 2.573 7.707 6.481 1.00 0.00 C ATOM 934 O LYS A 76 1.513 7.198 6.158 1.00 0.00 O ATOM 935 CB LYS A 76 1.341 9.776 7.127 1.00 0.00 C ATOM 936 CG LYS A 76 0.937 9.260 8.505 1.00 0.00 C ATOM 937 CD LYS A 76 2.082 9.367 9.498 1.00 0.00 C ATOM 938 CE LYS A 76 1.814 8.565 10.761 1.00 0.00 C ATOM 939 NZ LYS A 76 2.430 9.205 11.950 1.00 0.00 N ATOM 0 H LYS A 76 2.411 9.986 4.689 1.00 0.00 H new ATOM 0 HA LYS A 76 3.456 9.411 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.399 10.864 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.563 9.518 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.082 9.829 8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.618 8.221 8.426 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.001 9.013 9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.239 10.413 9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.739 8.471 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.209 7.556 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.229 8.633 12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.459 9.272 11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.034 10.159 12.075 1.00 0.00 H new ATOM 953 N ARG A 77 3.656 6.981 6.675 1.00 0.00 N ATOM 954 CA ARG A 77 3.550 5.534 6.805 1.00 0.00 C ATOM 955 C ARG A 77 4.631 4.959 7.704 1.00 0.00 C ATOM 956 O ARG A 77 5.457 5.687 8.252 1.00 0.00 O ATOM 957 CB ARG A 77 3.508 4.831 5.461 1.00 0.00 C ATOM 958 CG ARG A 77 2.243 4.013 5.208 1.00 0.00 C ATOM 959 CD ARG A 77 1.234 4.137 6.341 1.00 0.00 C ATOM 960 NE ARG A 77 -0.113 3.724 5.940 1.00 0.00 N ATOM 961 CZ ARG A 77 -0.504 2.453 5.844 1.00 0.00 C ATOM 962 NH1 ARG A 77 0.369 1.473 6.053 1.00 0.00 N ATOM 963 NH2 ARG A 77 -1.761 2.162 5.537 1.00 0.00 N ATOM 0 H ARG A 77 4.602 7.355 6.746 1.00 0.00 H new ATOM 0 HA ARG A 77 2.593 5.342 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.605 5.577 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.372 4.171 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.781 4.342 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.512 2.965 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.562 3.528 7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.206 5.170 6.687 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.793 4.452 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.337 1.694 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.071 0.500 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.433 2.912 5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.056 1.188 5.465 1.00 0.00 H new ATOM 977 N ASN A 78 4.604 3.645 7.837 1.00 0.00 N ATOM 978 CA ASN A 78 5.389 2.937 8.833 1.00 0.00 C ATOM 979 C ASN A 78 6.548 2.181 8.187 1.00 0.00 C ATOM 980 O ASN A 78 6.611 2.056 6.962 1.00 0.00 O ATOM 981 CB ASN A 78 4.473 1.951 9.556 1.00 0.00 C ATOM 982 CG ASN A 78 4.713 1.902 11.051 1.00 0.00 C ATOM 983 OD1 ASN A 78 5.763 2.307 11.542 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.729 1.411 11.788 1.00 0.00 N ATOM 0 H ASN A 78 4.033 3.035 7.253 1.00 0.00 H new ATOM 0 HA ASN A 78 5.810 3.658 9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.435 2.226 9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.619 0.955 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.828 1.359 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.872 1.085 11.342 1.00 0.00 H new ATOM 991 N ASP A 79 7.449 1.668 9.016 1.00 0.00 N ATOM 992 CA ASP A 79 8.571 0.868 8.536 1.00 0.00 C ATOM 993 C ASP A 79 8.156 -0.588 8.359 1.00 0.00 C ATOM 994 O ASP A 79 6.965 -0.909 8.357 1.00 0.00 O ATOM 995 CB ASP A 79 9.791 0.963 9.468 1.00 0.00 C ATOM 996 CG ASP A 79 9.462 0.745 10.933 1.00 0.00 C ATOM 997 OD1 ASP A 79 8.727 1.569 11.515 1.00 0.00 O ATOM 998 OD2 ASP A 79 9.969 -0.237 11.520 1.00 0.00 O ATOM 0 H ASP A 79 7.425 1.792 10.028 1.00 0.00 H new ATOM 0 HA ASP A 79 8.864 1.276 7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.531 0.225 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.250 1.945 9.351 1.00 0.00 H new ATOM 1003 N ILE A 80 9.138 -1.465 8.209 1.00 0.00 N ATOM 1004 CA ILE A 80 8.876 -2.860 7.879 1.00 0.00 C ATOM 1005 C ILE A 80 8.433 -3.665 9.094 1.00 0.00 C ATOM 1006 O ILE A 80 8.847 -3.400 10.225 1.00 0.00 O ATOM 1007 CB ILE A 80 10.096 -3.553 7.235 1.00 0.00 C ATOM 1008 CG1 ILE A 80 11.286 -2.599 7.127 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.718 -4.088 5.865 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.175 -2.606 8.349 1.00 0.00 C ATOM 0 H ILE A 80 10.127 -1.235 8.311 1.00 0.00 H new ATOM 0 HA ILE A 80 8.063 -2.836 7.153 1.00 0.00 H new ATOM 0 HB ILE A 80 10.396 -4.383 7.875 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.880 -2.868 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.917 -1.587 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.582 -4.576 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.906 -4.808 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.394 -3.264 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.999 -1.907 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.595 -2.307 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.573 -3.609 8.503 1.00 0.00 H new ATOM 1022 N ASP A 81 7.588 -4.653 8.820 1.00 0.00 N ATOM 1023 CA ASP A 81 6.930 -5.474 9.835 1.00 0.00 C ATOM 1024 C ASP A 81 6.141 -4.603 10.797 1.00 0.00 C ATOM 1025 O ASP A 81 6.067 -4.872 12.000 1.00 0.00 O ATOM 1026 CB ASP A 81 7.923 -6.363 10.582 1.00 0.00 C ATOM 1027 CG ASP A 81 7.295 -7.683 10.986 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.572 -8.286 10.154 1.00 0.00 O ATOM 1029 OD2 ASP A 81 7.514 -8.123 12.136 1.00 0.00 O ATOM 0 H ASP A 81 7.335 -4.912 7.867 1.00 0.00 H new ATOM 0 HA ASP A 81 6.234 -6.137 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.791 -6.551 9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.281 -5.843 11.470 1.00 0.00 H new ATOM 1034 N LYS A 82 5.543 -3.554 10.252 1.00 0.00 N ATOM 1035 CA LYS A 82 4.735 -2.642 11.036 1.00 0.00 C ATOM 1036 C LYS A 82 3.388 -2.415 10.357 1.00 0.00 C ATOM 1037 O LYS A 82 3.323 -2.180 9.141 1.00 0.00 O ATOM 1038 CB LYS A 82 5.463 -1.310 11.217 1.00 0.00 C ATOM 1039 CG LYS A 82 6.643 -1.382 12.168 1.00 0.00 C ATOM 1040 CD LYS A 82 6.427 -0.506 13.390 1.00 0.00 C ATOM 1041 CE LYS A 82 7.723 -0.292 14.155 1.00 0.00 C ATOM 1042 NZ LYS A 82 8.205 1.111 14.064 1.00 0.00 N ATOM 0 H LYS A 82 5.605 -3.315 9.262 1.00 0.00 H new ATOM 0 HA LYS A 82 4.564 -3.084 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.812 -0.962 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.756 -0.567 11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.796 -2.415 12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.549 -1.068 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.021 0.458 13.082 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.688 -0.968 14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.572 -0.555 15.202 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.488 -0.963 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.215 1.148 14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.070 1.462 13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.667 1.706 14.726 1.00 0.00 H new ATOM 1056 N PRO A 83 2.292 -2.509 11.124 1.00 0.00 N ATOM 1057 CA PRO A 83 0.956 -2.285 10.617 1.00 0.00 C ATOM 1058 C PRO A 83 0.512 -0.839 10.800 1.00 0.00 C ATOM 1059 O PRO A 83 0.737 -0.235 11.849 1.00 0.00 O ATOM 1060 CB PRO A 83 0.115 -3.222 11.481 1.00 0.00 C ATOM 1061 CG PRO A 83 0.837 -3.314 12.788 1.00 0.00 C ATOM 1062 CD PRO A 83 2.262 -2.850 12.556 1.00 0.00 C ATOM 0 HA PRO A 83 0.872 -2.471 9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.894 -2.832 11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.018 -4.203 11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.349 -2.693 13.540 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.823 -4.338 13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.508 -1.989 13.177 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.982 -3.633 12.796 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.095 -0.277 9.775 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.625 1.069 9.871 1.00 0.00 C ATOM 1072 C LEU A 84 -2.044 1.116 9.333 1.00 0.00 C ATOM 1073 O LEU A 84 -2.291 0.813 8.163 1.00 0.00 O ATOM 1074 CB LEU A 84 0.270 2.061 9.122 1.00 0.00 C ATOM 1075 CG LEU A 84 0.510 3.402 9.828 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -0.647 4.360 9.574 1.00 0.00 C ATOM 1077 CD2 LEU A 84 0.713 3.195 11.320 1.00 0.00 C ATOM 0 H LEU A 84 -0.234 -0.728 8.870 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.643 1.358 10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.235 1.588 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.174 2.259 8.147 1.00 0.00 H new ATOM 0 HG LEU A 84 1.417 3.844 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.456 5.304 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.743 4.539 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.571 3.923 9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.882 4.158 11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.174 2.727 11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.577 2.551 11.484 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.971 1.461 10.207 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.368 1.612 9.834 1.00 0.00 C ATOM 1091 C LYS A 85 -4.731 3.091 9.801 1.00 0.00 C ATOM 1092 O LYS A 85 -4.167 3.885 10.551 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.264 0.870 10.830 1.00 0.00 C ATOM 1094 CG LYS A 85 -6.694 0.681 10.348 1.00 0.00 C ATOM 1095 CD LYS A 85 -7.641 0.413 11.509 1.00 0.00 C ATOM 1096 CE LYS A 85 -8.841 1.346 11.477 1.00 0.00 C ATOM 1097 NZ LYS A 85 -9.375 1.622 12.836 1.00 0.00 N ATOM 0 H LYS A 85 -2.780 1.644 11.192 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.522 1.184 8.843 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.829 -0.107 11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.278 1.419 11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.019 1.572 9.810 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.735 -0.150 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.982 -0.621 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.107 0.537 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.556 2.285 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.626 0.904 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.192 2.262 12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.672 0.730 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.635 2.068 13.416 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.654 3.461 8.928 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.091 4.844 8.836 1.00 0.00 C ATOM 1113 C TYR A 86 -6.933 5.224 10.049 1.00 0.00 C ATOM 1114 O TYR A 86 -7.686 4.402 10.575 1.00 0.00 O ATOM 1115 CB TYR A 86 -6.880 5.076 7.543 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.200 4.334 7.463 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -8.252 3.006 7.054 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -9.394 4.964 7.793 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -9.454 2.332 6.975 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -10.601 4.294 7.716 1.00 0.00 C ATOM 1121 CZ TYR A 86 -10.624 2.977 7.308 1.00 0.00 C ATOM 1122 OH TYR A 86 -11.820 2.303 7.227 1.00 0.00 O ATOM 0 H TYR A 86 -6.113 2.826 8.276 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.206 5.480 8.819 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.072 6.144 7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.260 4.779 6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.337 2.494 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.379 5.995 8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.477 1.301 6.653 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.520 4.799 7.974 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.550 2.898 7.497 1.00 0.00 H new ATOM 1132 N GLU A 87 -6.796 6.462 10.493 1.00 0.00 N ATOM 1133 CA GLU A 87 -7.559 6.955 11.630 1.00 0.00 C ATOM 1134 C GLU A 87 -8.740 7.787 11.151 1.00 0.00 C ATOM 1135 O GLU A 87 -9.779 7.858 11.810 1.00 0.00 O ATOM 1136 CB GLU A 87 -6.664 7.790 12.547 1.00 0.00 C ATOM 1137 CG GLU A 87 -6.389 7.139 13.891 1.00 0.00 C ATOM 1138 CD GLU A 87 -7.658 6.820 14.650 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -8.173 7.710 15.356 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -8.146 5.674 14.548 1.00 0.00 O ATOM 0 H GLU A 87 -6.162 7.147 10.083 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.937 6.101 12.192 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.716 7.976 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.133 8.760 12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.821 6.222 13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.767 7.802 14.492 1.00 0.00 H new ATOM 1147 N ASP A 88 -8.569 8.409 9.995 1.00 0.00 N ATOM 1148 CA ASP A 88 -9.598 9.252 9.411 1.00 0.00 C ATOM 1149 C ASP A 88 -9.671 9.013 7.908 1.00 0.00 C ATOM 1150 O ASP A 88 -8.643 8.906 7.239 1.00 0.00 O ATOM 1151 CB ASP A 88 -9.300 10.729 9.720 1.00 0.00 C ATOM 1152 CG ASP A 88 -9.572 11.659 8.551 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -10.753 11.911 8.249 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -8.599 12.153 7.942 1.00 0.00 O ATOM 0 H ASP A 88 -7.717 8.344 9.438 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.565 8.999 9.845 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.904 11.043 10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.256 10.826 10.016 1.00 0.00 H new ATOM 1159 N TYR A 89 -10.884 8.895 7.394 1.00 0.00 N ATOM 1160 CA TYR A 89 -11.097 8.676 5.971 1.00 0.00 C ATOM 1161 C TYR A 89 -12.079 9.704 5.416 1.00 0.00 C ATOM 1162 O TYR A 89 -12.849 9.416 4.497 1.00 0.00 O ATOM 1163 CB TYR A 89 -11.621 7.258 5.729 1.00 0.00 C ATOM 1164 CG TYR A 89 -11.110 6.625 4.456 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -9.820 6.871 4.000 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -11.918 5.778 3.711 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -9.355 6.290 2.835 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -11.458 5.194 2.546 1.00 0.00 C ATOM 1169 CZ TYR A 89 -10.176 5.453 2.113 1.00 0.00 C ATOM 1170 OH TYR A 89 -9.714 4.874 0.953 1.00 0.00 O ATOM 0 H TYR A 89 -11.742 8.947 7.944 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.145 8.792 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -11.341 6.629 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.710 7.284 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.172 7.525 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -12.923 5.572 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.351 6.492 2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.100 4.538 1.978 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.948 4.298 1.157 1.00 0.00 H new ATOM 1180 N TYR A 90 -12.064 10.898 5.987 1.00 0.00 N ATOM 1181 CA TYR A 90 -12.996 11.941 5.584 1.00 0.00 C ATOM 1182 C TYR A 90 -12.384 12.844 4.520 1.00 0.00 C ATOM 1183 O TYR A 90 -12.529 12.595 3.322 1.00 0.00 O ATOM 1184 CB TYR A 90 -13.437 12.762 6.800 1.00 0.00 C ATOM 1185 CG TYR A 90 -14.409 12.033 7.700 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -13.968 11.050 8.575 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -15.767 12.323 7.670 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -14.850 10.380 9.397 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -16.656 11.657 8.492 1.00 0.00 C ATOM 1190 CZ TYR A 90 -16.192 10.684 9.351 1.00 0.00 C ATOM 1191 OH TYR A 90 -17.073 10.016 10.170 1.00 0.00 O ATOM 0 H TYR A 90 -11.419 11.169 6.729 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.874 11.461 5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -12.557 13.040 7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.898 13.688 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.917 10.806 8.613 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -16.134 13.081 6.994 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -14.489 9.620 10.074 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -17.708 11.898 8.462 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.981 10.350 10.015 1.00 0.00 H new ATOM 1201 N THR A 91 -11.685 13.877 4.956 1.00 0.00 N ATOM 1202 CA THR A 91 -11.138 14.864 4.042 1.00 0.00 C ATOM 1203 C THR A 91 -9.616 14.809 4.011 1.00 0.00 C ATOM 1204 O THR A 91 -8.950 15.828 3.835 1.00 0.00 O ATOM 1205 CB THR A 91 -11.588 16.278 4.442 1.00 0.00 C ATOM 1206 OG1 THR A 91 -12.448 16.209 5.592 1.00 0.00 O ATOM 1207 CG2 THR A 91 -12.317 16.958 3.295 1.00 0.00 C ATOM 0 H THR A 91 -11.482 14.054 5.940 1.00 0.00 H new ATOM 0 HA THR A 91 -11.515 14.630 3.047 1.00 0.00 H new ATOM 0 HB THR A 91 -10.702 16.865 4.685 1.00 0.00 H new ATOM 0 HG1 THR A 91 -12.731 17.113 5.844 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.626 17.957 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.652 17.032 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 91 -13.196 16.373 3.025 1.00 0.00 H new ATOM 1215 N SER A 92 -9.072 13.612 4.176 1.00 0.00 N ATOM 1216 CA SER A 92 -7.630 13.419 4.197 1.00 0.00 C ATOM 1217 C SER A 92 -7.050 13.381 2.779 1.00 0.00 C ATOM 1218 O SER A 92 -5.832 13.390 2.592 1.00 0.00 O ATOM 1219 CB SER A 92 -7.309 12.128 4.942 1.00 0.00 C ATOM 1220 OG SER A 92 -8.503 11.515 5.404 1.00 0.00 O ATOM 0 H SER A 92 -9.612 12.755 4.298 1.00 0.00 H new ATOM 0 HA SER A 92 -7.171 14.263 4.712 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.772 11.444 4.284 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.652 12.341 5.785 1.00 0.00 H new ATOM 0 HG SER A 92 -8.441 11.364 6.370 1.00 0.00 H new ATOM 1226 N GLY A 93 -7.920 13.332 1.779 1.00 0.00 N ATOM 1227 CA GLY A 93 -7.452 13.352 0.411 1.00 0.00 C ATOM 1228 C GLY A 93 -8.420 12.711 -0.559 1.00 0.00 C ATOM 1229 O GLY A 93 -9.529 12.332 -0.183 1.00 0.00 O ATOM 0 H GLY A 93 -8.933 13.279 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.275 14.384 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.494 12.835 0.354 1.00 0.00 H new ATOM 1233 N LEU A 94 -7.989 12.604 -1.812 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.797 12.017 -2.870 1.00 0.00 C ATOM 1235 C LEU A 94 -8.254 10.641 -3.239 1.00 0.00 C ATOM 1236 O LEU A 94 -8.779 9.616 -2.798 1.00 0.00 O ATOM 1237 CB LEU A 94 -8.793 12.924 -4.108 1.00 0.00 C ATOM 1238 CG LEU A 94 -9.321 14.345 -3.887 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -8.179 15.300 -3.559 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -10.070 14.825 -5.120 1.00 0.00 C ATOM 0 H LEU A 94 -7.070 12.922 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.821 11.914 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.773 12.989 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.391 12.450 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.008 14.328 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.576 16.303 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.675 14.967 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.468 15.314 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.440 15.836 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.397 14.824 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.910 14.159 -5.317 1.00 0.00 H new ATOM 1252 N SER A 95 -7.205 10.632 -4.053 1.00 0.00 N ATOM 1253 CA SER A 95 -6.526 9.401 -4.424 1.00 0.00 C ATOM 1254 C SER A 95 -5.381 9.118 -3.455 1.00 0.00 C ATOM 1255 O SER A 95 -4.783 10.046 -2.902 1.00 0.00 O ATOM 1256 CB SER A 95 -5.995 9.514 -5.853 1.00 0.00 C ATOM 1257 OG SER A 95 -6.510 10.672 -6.498 1.00 0.00 O ATOM 0 H SER A 95 -6.805 11.472 -4.471 1.00 0.00 H new ATOM 0 HA SER A 95 -7.235 8.574 -4.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.906 9.556 -5.838 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.272 8.625 -6.419 1.00 0.00 H new ATOM 0 HG SER A 95 -6.155 10.724 -7.410 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.080 7.845 -3.248 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.043 7.450 -2.308 1.00 0.00 C ATOM 1265 C TRP A 96 -2.970 6.641 -3.013 1.00 0.00 C ATOM 1266 O TRP A 96 -3.242 5.967 -4.008 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.643 6.624 -1.166 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.866 7.239 -0.562 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.163 7.011 -0.923 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.905 8.184 0.509 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -8.006 7.759 -0.142 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -7.260 8.486 0.747 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.926 8.802 1.292 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.656 9.379 1.735 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.323 9.687 2.272 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.679 9.967 2.486 1.00 0.00 C ATOM 0 H TRP A 96 -5.540 7.067 -3.720 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.594 8.354 -1.896 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.892 5.631 -1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.890 6.493 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.479 6.340 -1.708 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -9.024 7.772 -0.212 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.879 8.590 1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.700 9.600 1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.577 10.172 2.884 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -6.958 10.664 3.263 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.752 6.719 -2.504 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.648 5.968 -3.065 1.00 0.00 C ATOM 1289 C ILE A 97 0.159 5.258 -1.974 1.00 0.00 C ATOM 1290 O ILE A 97 0.346 5.787 -0.870 1.00 0.00 O ATOM 1291 CB ILE A 97 0.274 6.886 -3.905 1.00 0.00 C ATOM 1292 CG1 ILE A 97 0.923 6.081 -5.039 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.323 7.583 -3.040 1.00 0.00 C ATOM 1294 CD1 ILE A 97 2.339 5.628 -4.755 1.00 0.00 C ATOM 0 H ILE A 97 -1.505 7.297 -1.701 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.071 5.207 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.338 7.673 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.308 5.204 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.924 6.688 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.949 8.217 -3.668 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.826 8.195 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.944 6.835 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.720 5.067 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.972 6.499 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.347 4.992 -3.870 1.00 0.00 H new ATOM 1306 N TRP A 98 0.601 4.043 -2.284 1.00 0.00 N ATOM 1307 CA TRP A 98 1.516 3.310 -1.425 1.00 0.00 C ATOM 1308 C TRP A 98 2.934 3.480 -1.950 1.00 0.00 C ATOM 1309 O TRP A 98 3.396 2.691 -2.777 1.00 0.00 O ATOM 1310 CB TRP A 98 1.164 1.815 -1.398 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.154 1.502 -0.752 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.060 0.566 -1.163 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.711 2.109 0.419 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.149 0.562 -0.326 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -1.958 1.499 0.654 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.278 3.110 1.293 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.773 1.859 1.721 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -1.087 3.463 2.349 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.325 2.840 2.557 1.00 0.00 C ATOM 0 H TRP A 98 0.335 3.544 -3.133 1.00 0.00 H new ATOM 0 HA TRP A 98 1.435 3.704 -0.412 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.153 1.438 -2.421 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.951 1.278 -0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.938 -0.078 -2.022 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.967 -0.041 -0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.674 3.598 1.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.727 1.379 1.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.762 4.235 3.031 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.936 3.142 3.395 1.00 0.00 H new ATOM 1330 N LYS A 99 3.615 4.519 -1.498 1.00 0.00 N ATOM 1331 CA LYS A 99 4.961 4.790 -1.971 1.00 0.00 C ATOM 1332 C LYS A 99 5.981 4.010 -1.158 1.00 0.00 C ATOM 1333 O LYS A 99 6.294 4.369 -0.024 1.00 0.00 O ATOM 1334 CB LYS A 99 5.270 6.288 -1.907 1.00 0.00 C ATOM 1335 CG LYS A 99 5.488 6.922 -3.271 1.00 0.00 C ATOM 1336 CD LYS A 99 6.895 7.482 -3.417 1.00 0.00 C ATOM 1337 CE LYS A 99 7.299 7.579 -4.879 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.452 8.494 -5.088 1.00 0.00 N ATOM 0 H LYS A 99 3.262 5.184 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 99 5.023 4.469 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.448 6.799 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.161 6.441 -1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.310 6.180 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.762 7.721 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.946 8.469 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.600 6.845 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.555 6.586 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.450 7.929 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.914 8.270 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.116 9.478 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.134 8.375 -4.312 1.00 0.00 H new ATOM 1352 N ILE A 100 6.479 2.929 -1.736 1.00 0.00 N ATOM 1353 CA ILE A 100 7.536 2.155 -1.105 1.00 0.00 C ATOM 1354 C ILE A 100 8.878 2.771 -1.432 1.00 0.00 C ATOM 1355 O ILE A 100 9.473 2.481 -2.470 1.00 0.00 O ATOM 1356 CB ILE A 100 7.516 0.673 -1.538 1.00 0.00 C ATOM 1357 CG1 ILE A 100 6.131 0.067 -1.291 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.585 -0.118 -0.788 1.00 0.00 C ATOM 1359 CD1 ILE A 100 6.042 -1.410 -1.611 1.00 0.00 C ATOM 0 H ILE A 100 6.170 2.568 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 100 7.365 2.178 -0.029 1.00 0.00 H new ATOM 0 HB ILE A 100 7.734 0.620 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.859 0.219 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.398 0.604 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.556 -1.160 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.567 0.301 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.395 -0.060 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.031 -1.765 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.281 -1.570 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.750 -1.960 -0.991 1.00 0.00 H new ATOM 1371 N LYS A 101 9.326 3.651 -0.551 1.00 0.00 N ATOM 1372 CA LYS A 101 10.623 4.279 -0.683 1.00 0.00 C ATOM 1373 C LYS A 101 11.637 3.459 0.097 1.00 0.00 C ATOM 1374 O LYS A 101 11.508 3.264 1.308 1.00 0.00 O ATOM 1375 CB LYS A 101 10.574 5.736 -0.195 1.00 0.00 C ATOM 1376 CG LYS A 101 11.915 6.289 0.270 1.00 0.00 C ATOM 1377 CD LYS A 101 12.739 6.811 -0.896 1.00 0.00 C ATOM 1378 CE LYS A 101 13.049 8.291 -0.746 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.394 9.108 -1.802 1.00 0.00 N ATOM 0 H LYS A 101 8.800 3.947 0.271 1.00 0.00 H new ATOM 0 HA LYS A 101 10.920 4.308 -1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.196 6.364 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.861 5.808 0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.749 7.092 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.471 5.508 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.670 6.249 -0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.198 6.645 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.718 8.633 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.128 8.441 -0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.109 10.025 -1.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.061 9.263 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.554 8.608 -2.157 1.00 0.00 H new ATOM 1393 N ASN A 102 12.620 2.951 -0.608 1.00 0.00 N ATOM 1394 CA ASN A 102 13.565 2.021 -0.033 1.00 0.00 C ATOM 1395 C ASN A 102 14.734 2.769 0.615 1.00 0.00 C ATOM 1396 O ASN A 102 15.217 3.771 0.086 1.00 0.00 O ATOM 1397 CB ASN A 102 13.979 1.025 -1.122 1.00 0.00 C ATOM 1398 CG ASN A 102 15.336 0.367 -0.909 1.00 0.00 C ATOM 1399 OD1 ASN A 102 16.378 1.023 -0.930 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.335 -0.945 -0.741 1.00 0.00 N ATOM 0 H ASN A 102 12.788 3.168 -1.590 1.00 0.00 H new ATOM 0 HA ASN A 102 13.115 1.450 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 102 13.220 0.245 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.989 1.542 -2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 102 16.216 -1.445 -0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.453 -1.457 -0.729 1.00 0.00 H new ATOM 1407 N ASN A 103 15.161 2.270 1.773 1.00 0.00 N ATOM 1408 CA ASN A 103 16.077 2.985 2.663 1.00 0.00 C ATOM 1409 C ASN A 103 17.522 2.929 2.182 1.00 0.00 C ATOM 1410 O ASN A 103 18.224 3.938 2.198 1.00 0.00 O ATOM 1411 CB ASN A 103 16.007 2.411 4.093 1.00 0.00 C ATOM 1412 CG ASN A 103 15.553 3.436 5.115 1.00 0.00 C ATOM 1413 OD1 ASN A 103 15.383 4.614 4.802 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.351 2.993 6.345 1.00 0.00 N ATOM 0 H ASN A 103 14.881 1.354 2.123 1.00 0.00 H new ATOM 0 HA ASN A 103 15.756 4.027 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.322 1.563 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.989 2.032 4.376 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.043 3.636 7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.503 2.008 6.564 1.00 0.00 H new ATOM 1421 N SER A 104 17.975 1.756 1.766 1.00 0.00 N ATOM 1422 CA SER A 104 19.384 1.569 1.460 1.00 0.00 C ATOM 1423 C SER A 104 19.611 1.326 -0.033 1.00 0.00 C ATOM 1424 O SER A 104 19.497 2.250 -0.838 1.00 0.00 O ATOM 1425 CB SER A 104 19.957 0.424 2.301 1.00 0.00 C ATOM 1426 OG SER A 104 19.730 0.645 3.686 1.00 0.00 O ATOM 0 H SER A 104 17.394 0.928 1.634 1.00 0.00 H new ATOM 0 HA SER A 104 19.912 2.488 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 104 19.498 -0.518 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 104 21.027 0.332 2.115 1.00 0.00 H new ATOM 0 HG SER A 104 20.103 -0.100 4.202 1.00 0.00 H new ATOM 1432 N SER A 105 19.935 0.097 -0.399 1.00 0.00 N ATOM 1433 CA SER A 105 20.285 -0.216 -1.773 1.00 0.00 C ATOM 1434 C SER A 105 20.173 -1.711 -2.034 1.00 0.00 C ATOM 1435 O SER A 105 20.859 -2.254 -2.901 1.00 0.00 O ATOM 1436 CB SER A 105 21.710 0.259 -2.070 1.00 0.00 C ATOM 1437 OG SER A 105 22.463 0.394 -0.874 1.00 0.00 O ATOM 0 H SER A 105 19.963 -0.700 0.237 1.00 0.00 H new ATOM 0 HA SER A 105 19.587 0.301 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.202 -0.451 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 105 21.677 1.215 -2.592 1.00 0.00 H new ATOM 0 HG SER A 105 23.370 0.697 -1.091 1.00 0.00 H new ATOM 1443 N GLU A 106 19.305 -2.374 -1.292 1.00 0.00 N ATOM 1444 CA GLU A 106 19.129 -3.809 -1.432 1.00 0.00 C ATOM 1445 C GLU A 106 17.805 -4.116 -2.110 1.00 0.00 C ATOM 1446 O GLU A 106 16.846 -3.357 -1.989 1.00 0.00 O ATOM 1447 CB GLU A 106 19.177 -4.490 -0.061 1.00 0.00 C ATOM 1448 CG GLU A 106 20.268 -3.948 0.850 1.00 0.00 C ATOM 1449 CD GLU A 106 21.194 -5.031 1.367 1.00 0.00 C ATOM 1450 OE1 GLU A 106 22.099 -5.460 0.619 1.00 0.00 O ATOM 1451 OE2 GLU A 106 21.032 -5.451 2.529 1.00 0.00 O ATOM 0 H GLU A 106 18.710 -1.942 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 106 19.942 -4.194 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 106 18.211 -4.368 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.331 -5.560 -0.201 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.853 -3.205 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.808 -3.436 1.695 1.00 0.00 H new ATOM 1458 N THR A 107 17.766 -5.211 -2.851 1.00 0.00 N ATOM 1459 CA THR A 107 16.521 -5.685 -3.417 1.00 0.00 C ATOM 1460 C THR A 107 15.688 -6.324 -2.316 1.00 0.00 C ATOM 1461 O THR A 107 15.893 -7.488 -1.956 1.00 0.00 O ATOM 1462 CB THR A 107 16.774 -6.703 -4.542 1.00 0.00 C ATOM 1463 OG1 THR A 107 18.145 -6.624 -4.966 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.852 -6.443 -5.727 1.00 0.00 C ATOM 0 H THR A 107 18.580 -5.784 -3.072 1.00 0.00 H new ATOM 0 HA THR A 107 15.986 -4.839 -3.847 1.00 0.00 H new ATOM 0 HB THR A 107 16.567 -7.702 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 107 18.304 -7.275 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 107 16.050 -7.176 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.814 -6.527 -5.406 1.00 0.00 H new ATOM 0 HG23 THR A 107 16.032 -5.440 -6.115 1.00 0.00 H new ATOM 1472 N SER A 108 14.767 -5.555 -1.770 1.00 0.00 N ATOM 1473 CA SER A 108 14.015 -5.985 -0.609 1.00 0.00 C ATOM 1474 C SER A 108 12.709 -6.663 -1.001 1.00 0.00 C ATOM 1475 O SER A 108 11.911 -6.115 -1.761 1.00 0.00 O ATOM 1476 CB SER A 108 13.740 -4.784 0.289 1.00 0.00 C ATOM 1477 OG SER A 108 14.304 -3.604 -0.257 1.00 0.00 O ATOM 0 H SER A 108 14.521 -4.626 -2.113 1.00 0.00 H new ATOM 0 HA SER A 108 14.612 -6.720 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.665 -4.655 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.154 -4.964 1.281 1.00 0.00 H new ATOM 0 HG SER A 108 15.096 -3.350 0.262 1.00 0.00 H new ATOM 1483 N ASN A 109 12.513 -7.871 -0.492 1.00 0.00 N ATOM 1484 CA ASN A 109 11.260 -8.587 -0.677 1.00 0.00 C ATOM 1485 C ASN A 109 10.242 -8.110 0.349 1.00 0.00 C ATOM 1486 O ASN A 109 10.427 -8.301 1.554 1.00 0.00 O ATOM 1487 CB ASN A 109 11.478 -10.099 -0.552 1.00 0.00 C ATOM 1488 CG ASN A 109 10.295 -10.915 -1.050 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.148 -10.682 -0.661 1.00 0.00 O ATOM 1490 ND2 ASN A 109 10.564 -11.887 -1.909 1.00 0.00 N ATOM 0 H ASN A 109 13.210 -8.377 0.055 1.00 0.00 H new ATOM 0 HA ASN A 109 10.881 -8.382 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 109 12.368 -10.380 -1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.670 -10.347 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.810 -12.471 -2.271 1.00 0.00 H new ATOM 0 HD22 ASN A 109 11.525 -12.051 -2.209 1.00 0.00 H new ATOM 1497 N TYR A 110 9.182 -7.477 -0.131 1.00 0.00 N ATOM 1498 CA TYR A 110 8.163 -6.917 0.744 1.00 0.00 C ATOM 1499 C TYR A 110 6.873 -7.722 0.666 1.00 0.00 C ATOM 1500 O TYR A 110 6.522 -8.249 -0.389 1.00 0.00 O ATOM 1501 CB TYR A 110 7.879 -5.443 0.393 1.00 0.00 C ATOM 1502 CG TYR A 110 7.582 -5.185 -1.072 1.00 0.00 C ATOM 1503 CD1 TYR A 110 6.307 -5.380 -1.590 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.571 -4.734 -1.932 1.00 0.00 C ATOM 1505 CE1 TYR A 110 6.033 -5.142 -2.923 1.00 0.00 C ATOM 1506 CE2 TYR A 110 8.303 -4.493 -3.266 1.00 0.00 C ATOM 1507 CZ TYR A 110 7.033 -4.695 -3.755 1.00 0.00 C ATOM 1508 OH TYR A 110 6.766 -4.458 -5.080 1.00 0.00 O ATOM 0 H TYR A 110 9.005 -7.338 -1.126 1.00 0.00 H new ATOM 0 HA TYR A 110 8.546 -6.966 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.032 -5.099 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.740 -4.842 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.517 -5.724 -0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.569 -4.568 -1.553 1.00 0.00 H new ATOM 0 HE1 TYR A 110 5.038 -5.306 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 110 9.088 -4.147 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 110 7.580 -4.146 -5.527 1.00 0.00 H new ATOM 1518 N SER A 111 6.192 -7.825 1.792 1.00 0.00 N ATOM 1519 CA SER A 111 4.862 -8.409 1.842 1.00 0.00 C ATOM 1520 C SER A 111 3.883 -7.379 2.407 1.00 0.00 C ATOM 1521 O SER A 111 3.780 -7.205 3.621 1.00 0.00 O ATOM 1522 CB SER A 111 4.868 -9.681 2.698 1.00 0.00 C ATOM 1523 OG SER A 111 6.196 -10.087 3.011 1.00 0.00 O ATOM 0 H SER A 111 6.543 -7.508 2.696 1.00 0.00 H new ATOM 0 HA SER A 111 4.548 -8.686 0.836 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.313 -9.505 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.356 -10.483 2.166 1.00 0.00 H new ATOM 0 HG SER A 111 6.169 -10.899 3.559 1.00 0.00 H new ATOM 1529 N LEU A 112 3.200 -6.672 1.519 1.00 0.00 N ATOM 1530 CA LEU A 112 2.311 -5.588 1.920 1.00 0.00 C ATOM 1531 C LEU A 112 0.905 -6.103 2.215 1.00 0.00 C ATOM 1532 O LEU A 112 0.137 -6.390 1.301 1.00 0.00 O ATOM 1533 CB LEU A 112 2.263 -4.516 0.828 1.00 0.00 C ATOM 1534 CG LEU A 112 1.522 -3.232 1.204 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.907 -2.781 2.603 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.810 -2.136 0.189 1.00 0.00 C ATOM 0 H LEU A 112 3.244 -6.829 0.512 1.00 0.00 H new ATOM 0 HA LEU A 112 2.706 -5.149 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.285 -4.258 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.790 -4.943 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 112 0.452 -3.437 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.369 -1.866 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.649 -3.560 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.980 -2.593 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.275 -1.229 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.881 -1.934 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.481 -2.459 -0.799 1.00 0.00 H new ATOM 1548 N ASP A 113 0.573 -6.185 3.494 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.726 -6.688 3.935 1.00 0.00 C ATOM 1550 C ASP A 113 -1.778 -5.585 3.887 1.00 0.00 C ATOM 1551 O ASP A 113 -1.810 -4.718 4.761 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.639 -7.210 5.375 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.100 -8.622 5.480 1.00 0.00 C ATOM 1554 OD1 ASP A 113 0.354 -9.179 4.459 1.00 0.00 O ATOM 1555 OD2 ASP A 113 -0.111 -9.176 6.606 1.00 0.00 O ATOM 0 H ASP A 113 1.191 -5.907 4.256 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.011 -7.497 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.002 -6.543 5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.631 -7.175 5.825 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.623 -5.606 2.869 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.722 -4.652 2.771 1.00 0.00 C ATOM 1562 C ALA A 114 -5.055 -5.387 2.820 1.00 0.00 C ATOM 1563 O ALA A 114 -5.380 -6.153 1.912 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.605 -3.831 1.494 1.00 0.00 C ATOM 0 H ALA A 114 -2.571 -6.272 2.098 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.671 -3.968 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.433 -3.125 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.662 -3.284 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.636 -4.495 0.630 1.00 0.00 H new ATOM 1570 N THR A 115 -5.804 -5.190 3.900 1.00 0.00 N ATOM 1571 CA THR A 115 -7.077 -5.880 4.070 1.00 0.00 C ATOM 1572 C THR A 115 -8.090 -5.056 4.872 1.00 0.00 C ATOM 1573 O THR A 115 -8.180 -5.177 6.095 1.00 0.00 O ATOM 1574 CB THR A 115 -6.878 -7.246 4.751 1.00 0.00 C ATOM 1575 OG1 THR A 115 -5.487 -7.453 5.036 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.387 -8.365 3.858 1.00 0.00 C ATOM 0 H THR A 115 -5.554 -4.563 4.665 1.00 0.00 H new ATOM 0 HA THR A 115 -7.480 -6.026 3.068 1.00 0.00 H new ATOM 0 HB THR A 115 -7.444 -7.254 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.368 -8.323 5.471 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.238 -9.324 4.355 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.449 -8.219 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 115 -6.839 -8.356 2.916 1.00 0.00 H new ATOM 1584 N VAL A 116 -8.846 -4.224 4.177 1.00 0.00 N ATOM 1585 CA VAL A 116 -9.937 -3.475 4.785 1.00 0.00 C ATOM 1586 C VAL A 116 -11.252 -3.800 4.076 1.00 0.00 C ATOM 1587 O VAL A 116 -11.254 -4.513 3.071 1.00 0.00 O ATOM 1588 CB VAL A 116 -9.664 -1.949 4.766 1.00 0.00 C ATOM 1589 CG1 VAL A 116 -10.322 -1.273 3.568 1.00 0.00 C ATOM 1590 CG2 VAL A 116 -10.123 -1.307 6.071 1.00 0.00 C ATOM 0 H VAL A 116 -8.724 -4.048 3.180 1.00 0.00 H new ATOM 0 HA VAL A 116 -10.013 -3.776 5.830 1.00 0.00 H new ATOM 0 HB VAL A 116 -8.588 -1.807 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.108 -0.205 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -9.929 -1.703 2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -11.400 -1.428 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.923 -0.236 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.192 -1.473 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -9.582 -1.752 6.906 1.00 0.00 H new ATOM 1600 N HIS A 117 -12.367 -3.326 4.629 1.00 0.00 N ATOM 1601 CA HIS A 117 -13.683 -3.532 4.026 1.00 0.00 C ATOM 1602 C HIS A 117 -13.765 -2.887 2.636 1.00 0.00 C ATOM 1603 O HIS A 117 -14.212 -1.748 2.493 1.00 0.00 O ATOM 1604 CB HIS A 117 -14.779 -2.956 4.937 1.00 0.00 C ATOM 1605 CG HIS A 117 -16.177 -3.171 4.425 1.00 0.00 C ATOM 1606 ND1 HIS A 117 -16.852 -4.364 4.548 1.00 0.00 N ATOM 1607 CD2 HIS A 117 -17.023 -2.332 3.775 1.00 0.00 C ATOM 1608 CE1 HIS A 117 -18.048 -4.252 3.999 1.00 0.00 C ATOM 1609 NE2 HIS A 117 -18.177 -3.029 3.520 1.00 0.00 N ATOM 0 H HIS A 117 -12.385 -2.794 5.499 1.00 0.00 H new ATOM 0 HA HIS A 117 -13.836 -4.605 3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -14.691 -3.409 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.609 -1.886 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -16.824 -1.305 3.508 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.795 -5.030 3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -18.999 -2.663 3.040 1.00 0.00 H new ATOM 1618 N ASP A 118 -13.320 -3.621 1.625 1.00 0.00 N ATOM 1619 CA ASP A 118 -13.439 -3.187 0.238 1.00 0.00 C ATOM 1620 C ASP A 118 -14.762 -3.686 -0.337 1.00 0.00 C ATOM 1621 O ASP A 118 -15.464 -4.476 0.303 1.00 0.00 O ATOM 1622 CB ASP A 118 -12.256 -3.714 -0.588 1.00 0.00 C ATOM 1623 CG ASP A 118 -12.264 -3.217 -2.025 1.00 0.00 C ATOM 1624 OD1 ASP A 118 -12.752 -2.092 -2.269 1.00 0.00 O ATOM 1625 OD2 ASP A 118 -11.804 -3.959 -2.919 1.00 0.00 O ATOM 0 H ASP A 118 -12.869 -4.529 1.741 1.00 0.00 H new ATOM 0 HA ASP A 118 -13.422 -2.098 0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -11.324 -3.412 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -12.276 -4.804 -0.587 1.00 0.00 H new ATOM 1630 N ASP A 119 -15.115 -3.220 -1.523 1.00 0.00 N ATOM 1631 CA ASP A 119 -16.360 -3.623 -2.150 1.00 0.00 C ATOM 1632 C ASP A 119 -16.107 -4.402 -3.436 1.00 0.00 C ATOM 1633 O ASP A 119 -16.416 -5.592 -3.515 1.00 0.00 O ATOM 1634 CB ASP A 119 -17.236 -2.408 -2.433 1.00 0.00 C ATOM 1635 CG ASP A 119 -18.702 -2.720 -2.246 1.00 0.00 C ATOM 1636 OD1 ASP A 119 -19.149 -2.831 -1.082 1.00 0.00 O ATOM 1637 OD2 ASP A 119 -19.416 -2.870 -3.261 1.00 0.00 O ATOM 0 H ASP A 119 -14.557 -2.563 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 119 -16.883 -4.280 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.950 -1.591 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -17.064 -2.065 -3.453 1.00 0.00 H new ATOM 1642 N LYS A 120 -15.535 -3.741 -4.438 1.00 0.00 N ATOM 1643 CA LYS A 120 -15.290 -4.378 -5.727 1.00 0.00 C ATOM 1644 C LYS A 120 -14.168 -3.676 -6.485 1.00 0.00 C ATOM 1645 O LYS A 120 -14.366 -2.593 -7.042 1.00 0.00 O ATOM 1646 CB LYS A 120 -16.564 -4.373 -6.580 1.00 0.00 C ATOM 1647 CG LYS A 120 -17.033 -5.760 -7.006 1.00 0.00 C ATOM 1648 CD LYS A 120 -15.929 -6.553 -7.696 1.00 0.00 C ATOM 1649 CE LYS A 120 -15.627 -6.016 -9.089 1.00 0.00 C ATOM 1650 NZ LYS A 120 -16.799 -6.115 -9.998 1.00 0.00 N ATOM 0 H LYS A 120 -15.234 -2.768 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.989 -5.407 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -17.362 -3.888 -6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.389 -3.771 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.380 -6.309 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -17.884 -5.663 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -15.024 -6.518 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -16.224 -7.600 -7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.315 -4.974 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -14.791 -6.570 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -16.481 -6.033 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.268 -7.033 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -17.469 -5.348 -9.786 1.00 0.00 H new ATOM 1664 N GLU A 121 -12.994 -4.288 -6.488 1.00 0.00 N ATOM 1665 CA GLU A 121 -11.867 -3.796 -7.267 1.00 0.00 C ATOM 1666 C GLU A 121 -10.871 -4.918 -7.523 1.00 0.00 C ATOM 1667 O GLU A 121 -10.946 -5.980 -6.898 1.00 0.00 O ATOM 1668 CB GLU A 121 -11.168 -2.635 -6.553 1.00 0.00 C ATOM 1669 CG GLU A 121 -11.288 -1.308 -7.292 1.00 0.00 C ATOM 1670 CD GLU A 121 -10.436 -1.239 -8.547 1.00 0.00 C ATOM 1671 OE1 GLU A 121 -10.525 -2.161 -9.384 1.00 0.00 O ATOM 1672 OE2 GLU A 121 -9.686 -0.254 -8.705 1.00 0.00 O ATOM 0 H GLU A 121 -12.795 -5.134 -5.954 1.00 0.00 H new ATOM 0 HA GLU A 121 -12.252 -3.433 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.591 -2.525 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.113 -2.878 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -12.331 -1.143 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.000 -0.499 -6.621 1.00 0.00 H new ATOM 1679 N ASP A 122 -9.952 -4.680 -8.444 1.00 0.00 N ATOM 1680 CA ASP A 122 -8.919 -5.652 -8.783 1.00 0.00 C ATOM 1681 C ASP A 122 -7.548 -5.010 -8.624 1.00 0.00 C ATOM 1682 O ASP A 122 -7.290 -3.943 -9.184 1.00 0.00 O ATOM 1683 CB ASP A 122 -9.120 -6.163 -10.215 1.00 0.00 C ATOM 1684 CG ASP A 122 -7.904 -6.879 -10.783 1.00 0.00 C ATOM 1685 OD1 ASP A 122 -7.292 -7.702 -10.069 1.00 0.00 O ATOM 1686 OD2 ASP A 122 -7.571 -6.636 -11.965 1.00 0.00 O ATOM 0 H ASP A 122 -9.898 -3.812 -8.977 1.00 0.00 H new ATOM 0 HA ASP A 122 -8.988 -6.505 -8.108 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -9.972 -6.842 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -9.370 -5.321 -10.861 1.00 0.00 H new ATOM 1691 N SER A 123 -6.686 -5.662 -7.854 1.00 0.00 N ATOM 1692 CA SER A 123 -5.383 -5.121 -7.502 1.00 0.00 C ATOM 1693 C SER A 123 -4.469 -5.015 -8.720 1.00 0.00 C ATOM 1694 O SER A 123 -3.847 -5.997 -9.136 1.00 0.00 O ATOM 1695 CB SER A 123 -4.743 -6.010 -6.435 1.00 0.00 C ATOM 1696 OG SER A 123 -5.640 -7.039 -6.036 1.00 0.00 O ATOM 0 H SER A 123 -6.873 -6.582 -7.456 1.00 0.00 H new ATOM 0 HA SER A 123 -5.521 -4.113 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.825 -6.451 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 123 -4.465 -5.407 -5.570 1.00 0.00 H new ATOM 0 HG SER A 123 -5.213 -7.599 -5.354 1.00 0.00 H new ATOM 1702 N ASP A 124 -4.405 -3.821 -9.293 1.00 0.00 N ATOM 1703 CA ASP A 124 -3.536 -3.563 -10.435 1.00 0.00 C ATOM 1704 C ASP A 124 -2.113 -3.275 -9.971 1.00 0.00 C ATOM 1705 O ASP A 124 -1.901 -2.784 -8.860 1.00 0.00 O ATOM 1706 CB ASP A 124 -4.063 -2.390 -11.259 1.00 0.00 C ATOM 1707 CG ASP A 124 -3.783 -2.563 -12.736 1.00 0.00 C ATOM 1708 OD1 ASP A 124 -3.271 -3.630 -13.126 1.00 0.00 O ATOM 1709 OD2 ASP A 124 -4.086 -1.637 -13.516 1.00 0.00 O ATOM 0 H ASP A 124 -4.946 -3.013 -8.985 1.00 0.00 H new ATOM 0 HA ASP A 124 -3.527 -4.455 -11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -5.137 -2.291 -11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.604 -1.466 -10.909 1.00 0.00 H new ATOM 1714 N VAL A 125 -1.141 -3.569 -10.824 1.00 0.00 N ATOM 1715 CA VAL A 125 0.258 -3.407 -10.461 1.00 0.00 C ATOM 1716 C VAL A 125 1.072 -2.850 -11.631 1.00 0.00 C ATOM 1717 O VAL A 125 0.666 -2.953 -12.793 1.00 0.00 O ATOM 1718 CB VAL A 125 0.865 -4.748 -9.965 1.00 0.00 C ATOM 1719 CG1 VAL A 125 1.392 -5.589 -11.122 1.00 0.00 C ATOM 1720 CG2 VAL A 125 1.963 -4.493 -8.940 1.00 0.00 C ATOM 0 H VAL A 125 -1.296 -3.920 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 125 0.304 -2.688 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 125 0.066 -5.314 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.809 -6.519 -10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 125 0.576 -5.815 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 125 2.168 -5.035 -11.650 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.376 -5.444 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.753 -3.895 -9.394 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.547 -3.957 -8.087 1.00 0.00 H new ATOM 1730 N LEU A 126 2.210 -2.249 -11.313 1.00 0.00 N ATOM 1731 CA LEU A 126 3.098 -1.696 -12.321 1.00 0.00 C ATOM 1732 C LEU A 126 4.436 -2.426 -12.296 1.00 0.00 C ATOM 1733 O LEU A 126 4.953 -2.747 -11.226 1.00 0.00 O ATOM 1734 CB LEU A 126 3.313 -0.201 -12.074 1.00 0.00 C ATOM 1735 CG LEU A 126 2.449 0.729 -12.931 1.00 0.00 C ATOM 1736 CD1 LEU A 126 2.133 2.015 -12.179 1.00 0.00 C ATOM 1737 CD2 LEU A 126 3.153 1.038 -14.245 1.00 0.00 C ATOM 0 H LEU A 126 2.540 -2.132 -10.355 1.00 0.00 H new ATOM 0 HA LEU A 126 2.640 -1.828 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.115 0.010 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.362 0.034 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 126 1.508 0.223 -13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.518 2.661 -12.806 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.592 1.777 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.062 2.528 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.529 1.700 -14.845 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.107 1.525 -14.041 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.328 0.111 -14.791 1.00 0.00 H new ATOM 1749 N THR A 127 4.979 -2.700 -13.473 1.00 0.00 N ATOM 1750 CA THR A 127 6.254 -3.390 -13.586 1.00 0.00 C ATOM 1751 C THR A 127 7.411 -2.472 -13.199 1.00 0.00 C ATOM 1752 O THR A 127 8.421 -2.917 -12.651 1.00 0.00 O ATOM 1753 CB THR A 127 6.456 -3.899 -15.020 1.00 0.00 C ATOM 1754 OG1 THR A 127 5.304 -3.558 -15.810 1.00 0.00 O ATOM 1755 CG2 THR A 127 6.666 -5.405 -15.039 1.00 0.00 C ATOM 0 H THR A 127 4.554 -2.453 -14.367 1.00 0.00 H new ATOM 0 HA THR A 127 6.240 -4.237 -12.900 1.00 0.00 H new ATOM 0 HB THR A 127 7.346 -3.427 -15.437 1.00 0.00 H new ATOM 0 HG1 THR A 127 5.429 -3.880 -16.727 1.00 0.00 H new ATOM 0 HG21 THR A 127 6.807 -5.740 -16.067 1.00 0.00 H new ATOM 0 HG22 THR A 127 7.549 -5.657 -14.451 1.00 0.00 H new ATOM 0 HG23 THR A 127 5.793 -5.899 -14.613 1.00 0.00 H new ATOM 1763 N LYS A 128 7.249 -1.188 -13.484 1.00 0.00 N ATOM 1764 CA LYS A 128 8.243 -0.184 -13.143 1.00 0.00 C ATOM 1765 C LYS A 128 7.558 1.161 -12.966 1.00 0.00 C ATOM 1766 O LYS A 128 6.492 1.395 -13.540 1.00 0.00 O ATOM 1767 CB LYS A 128 9.317 -0.092 -14.231 1.00 0.00 C ATOM 1768 CG LYS A 128 10.724 -0.362 -13.720 1.00 0.00 C ATOM 1769 CD LYS A 128 11.468 -1.331 -14.623 1.00 0.00 C ATOM 1770 CE LYS A 128 11.321 -2.764 -14.146 1.00 0.00 C ATOM 1771 NZ LYS A 128 12.630 -3.359 -13.780 1.00 0.00 N ATOM 0 H LYS A 128 6.426 -0.815 -13.957 1.00 0.00 H new ATOM 0 HA LYS A 128 8.731 -0.470 -12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 128 9.083 -0.805 -15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 128 9.286 0.902 -14.678 1.00 0.00 H new ATOM 0 HG2 LYS A 128 11.276 0.576 -13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.674 -0.770 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 128 11.088 -1.245 -15.641 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.524 -1.063 -14.653 1.00 0.00 H new ATOM 0 HE2 LYS A 128 10.654 -2.794 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 128 10.856 -3.362 -14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 12.489 -4.338 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.258 -3.354 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 13.062 -2.803 -13.015 1.00 0.00 H new ATOM 1785 N CYS A 129 8.155 2.039 -12.180 1.00 0.00 N ATOM 1786 CA CYS A 129 7.538 3.322 -11.890 1.00 0.00 C ATOM 1787 C CYS A 129 8.427 4.477 -12.331 1.00 0.00 C ATOM 1788 O CYS A 129 9.651 4.416 -12.214 1.00 0.00 O ATOM 1789 CB CYS A 129 7.222 3.437 -10.397 1.00 0.00 C ATOM 1790 SG CYS A 129 5.438 3.388 -10.027 1.00 0.00 S ATOM 0 H CYS A 129 9.060 1.890 -11.734 1.00 0.00 H new ATOM 0 HA CYS A 129 6.607 3.379 -12.454 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.718 2.625 -9.865 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.639 4.369 -10.016 1.00 0.00 H new ATOM 1795 N PRO A 130 7.814 5.542 -12.864 1.00 0.00 N ATOM 1796 CA PRO A 130 8.520 6.746 -13.293 1.00 0.00 C ATOM 1797 C PRO A 130 8.777 7.708 -12.136 1.00 0.00 C ATOM 1798 O PRO A 130 9.349 8.782 -12.328 1.00 0.00 O ATOM 1799 CB PRO A 130 7.563 7.388 -14.310 1.00 0.00 C ATOM 1800 CG PRO A 130 6.343 6.517 -14.352 1.00 0.00 C ATOM 1801 CD PRO A 130 6.379 5.658 -13.120 1.00 0.00 C ATOM 0 HA PRO A 130 9.503 6.512 -13.702 1.00 0.00 H new ATOM 0 HB2 PRO A 130 7.305 8.404 -14.012 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.028 7.453 -15.294 1.00 0.00 H new ATOM 0 HG2 PRO A 130 5.437 7.122 -14.375 1.00 0.00 H new ATOM 0 HG3 PRO A 130 6.338 5.902 -15.252 1.00 0.00 H new ATOM 0 HD2 PRO A 130 5.853 6.122 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 130 5.916 4.686 -13.288 1.00 0.00 H new ATOM 1809 N VAL A 131 8.346 7.319 -10.940 1.00 0.00 N ATOM 1810 CA VAL A 131 8.526 8.140 -9.752 1.00 0.00 C ATOM 1811 C VAL A 131 9.059 7.286 -8.617 1.00 0.00 C ATOM 1812 O VAL A 131 9.241 6.073 -8.838 1.00 0.00 O ATOM 1813 CB VAL A 131 7.212 8.812 -9.283 1.00 0.00 C ATOM 1814 CG1 VAL A 131 7.441 10.287 -9.005 1.00 0.00 C ATOM 1815 CG2 VAL A 131 6.088 8.628 -10.295 1.00 0.00 C ATOM 1816 OXT VAL A 131 9.274 7.827 -7.512 1.00 0.00 O ATOM 0 H VAL A 131 7.867 6.435 -10.770 1.00 0.00 H new ATOM 0 HA VAL A 131 9.231 8.927 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 131 6.904 8.321 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 131 6.508 10.744 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.194 10.398 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.786 10.779 -9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 131 5.184 9.114 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 131 6.379 9.073 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 131 5.896 7.564 -10.436 1.00 0.00 H new TER 1826 VAL A 131