USER MOD reduce.3.24.130724 H: found=0, std=0, add=1067, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1064 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 32 SER OG : rot 71:sc= 0.554 USER MOD Set 1.2: A 126 ASN :FLIP amide:sc= 0.55 F(o=-0.19,f=1.1) USER MOD Set 2.1: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 MET CE :methyl -107:sc=-0.00893 (180deg=-0.132) USER MOD Set 3.1: A 40 TYR OH : rot 132:sc= 0.105 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.104 K(o=0.21,f=-0.39) USER MOD Single : A 0 GLY N :NH3+ -114:sc= 0.113 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -150:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.271 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 27:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.614 K(o=0.61,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.17) USER MOD Single : A 53 GLN : amide:sc= 0.419 K(o=0.42,f=-6.7!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.0237 USER MOD Single : A 59 CYS SG : rot -50:sc= 0.0407 USER MOD Single : A 64 SER OG : rot -160:sc= 0.0827 USER MOD Single : A 69 THR OG1 : rot 120:sc= 0.0444 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0331) USER MOD Single : A 72 HIS : no HE2:sc= -0.527 K(o=-0.53,f=-4.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl -177:sc= -0.115 (180deg=-0.131) USER MOD Single : A 99 ASN : amide:sc=-0.00347 X(o=-0.0035,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -107:sc= 0.0692 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0538 X(o=-0.054,f=-0.11) USER MOD Single : A 115 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 177:sc= 1.08 (180deg=1.08) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 174:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 8 N GLY A 0 0.377 1.782 -2.582 1.00 0.00 N ATOM 9 CA GLY A 0 -0.106 2.758 -3.559 1.00 0.00 C ATOM 10 C GLY A 0 -0.314 4.122 -2.888 1.00 0.00 C ATOM 11 O GLY A 0 -0.134 4.254 -1.673 1.00 0.00 O ATOM 0 H1 GLY A 0 1.346 1.495 -2.828 1.00 0.00 H new ATOM 0 H2 GLY A 0 0.373 2.209 -1.634 1.00 0.00 H new ATOM 0 H3 GLY A 0 -0.244 0.947 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.611 2.852 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -1.043 2.413 -3.996 1.00 0.00 H new ATOM 15 N ALA A 1 -0.641 5.151 -3.673 1.00 0.00 N ATOM 16 CA ALA A 1 -0.722 6.532 -3.182 1.00 0.00 C ATOM 17 C ALA A 1 -1.496 7.463 -4.140 1.00 0.00 C ATOM 18 O ALA A 1 -1.825 7.080 -5.268 1.00 0.00 O ATOM 19 CB ALA A 1 0.716 7.009 -2.953 1.00 0.00 C ATOM 0 H ALA A 1 -0.857 5.053 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.290 6.563 -2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.705 8.035 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.200 6.366 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.268 6.965 -3.892 1.00 0.00 H new ATOM 25 N LEU A 2 -1.794 8.682 -3.679 1.00 0.00 N ATOM 26 CA LEU A 2 -2.606 9.671 -4.394 1.00 0.00 C ATOM 27 C LEU A 2 -1.731 10.808 -4.942 1.00 0.00 C ATOM 28 O LEU A 2 -0.688 11.130 -4.365 1.00 0.00 O ATOM 29 CB LEU A 2 -3.657 10.280 -3.449 1.00 0.00 C ATOM 30 CG LEU A 2 -4.733 9.388 -2.799 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.320 8.363 -3.768 1.00 0.00 C ATOM 32 CD2 LEU A 2 -4.251 8.738 -1.509 1.00 0.00 C ATOM 0 H LEU A 2 -1.468 9.017 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.096 9.158 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.116 10.773 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.178 11.059 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.548 10.059 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.072 7.765 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.782 8.880 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.526 7.712 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.047 8.121 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.381 8.115 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.979 9.512 -0.791 1.00 0.00 H new ATOM 44 N SER A 3 -2.164 11.442 -6.035 1.00 0.00 N ATOM 45 CA SER A 3 -1.501 12.640 -6.581 1.00 0.00 C ATOM 46 C SER A 3 -1.544 13.828 -5.604 1.00 0.00 C ATOM 47 O SER A 3 -2.389 13.878 -4.709 1.00 0.00 O ATOM 48 CB SER A 3 -2.160 13.027 -7.908 1.00 0.00 C ATOM 49 OG SER A 3 -1.414 14.028 -8.579 1.00 0.00 O ATOM 0 H SER A 3 -2.981 11.144 -6.568 1.00 0.00 H new ATOM 0 HA SER A 3 -0.451 12.395 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.246 12.146 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.172 13.387 -7.723 1.00 0.00 H new ATOM 0 HG SER A 3 -1.856 14.255 -9.424 1.00 0.00 H new ATOM 55 N TYR A 4 -0.680 14.829 -5.803 1.00 0.00 N ATOM 56 CA TYR A 4 -0.695 16.088 -5.039 1.00 0.00 C ATOM 57 C TYR A 4 -2.080 16.753 -5.042 1.00 0.00 C ATOM 58 O TYR A 4 -2.568 17.198 -4.006 1.00 0.00 O ATOM 59 CB TYR A 4 0.338 17.049 -5.641 1.00 0.00 C ATOM 60 CG TYR A 4 0.438 18.393 -4.937 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.445 19.436 -5.283 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.404 18.601 -3.935 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.381 20.671 -4.612 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.478 19.838 -3.263 1.00 0.00 C ATOM 65 CZ TYR A 4 0.582 20.876 -3.600 1.00 0.00 C ATOM 66 OH TYR A 4 0.647 22.078 -2.963 1.00 0.00 O ATOM 0 H TYR A 4 0.058 14.791 -6.506 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.448 15.856 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.316 16.569 -5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.089 17.220 -6.688 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.173 19.286 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.092 17.809 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.069 21.462 -4.871 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.219 19.991 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 4 1.362 22.055 -2.294 1.00 0.00 H new ATOM 76 N GLU A 5 -2.717 16.782 -6.217 1.00 0.00 N ATOM 77 CA GLU A 5 -4.024 17.405 -6.468 1.00 0.00 C ATOM 78 C GLU A 5 -5.162 16.795 -5.640 1.00 0.00 C ATOM 79 O GLU A 5 -6.193 17.437 -5.429 1.00 0.00 O ATOM 80 CB GLU A 5 -4.381 17.231 -7.953 1.00 0.00 C ATOM 81 CG GLU A 5 -3.372 17.842 -8.930 1.00 0.00 C ATOM 82 CD GLU A 5 -3.593 19.351 -9.146 1.00 0.00 C ATOM 83 OE1 GLU A 5 -3.481 20.141 -8.177 1.00 0.00 O ATOM 84 OE2 GLU A 5 -3.869 19.768 -10.299 1.00 0.00 O ATOM 0 H GLU A 5 -2.321 16.355 -7.055 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.929 18.452 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.475 16.166 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.358 17.680 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.362 17.677 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.443 17.328 -9.888 1.00 0.00 H new ATOM 91 N THR A 6 -4.990 15.548 -5.192 1.00 0.00 N ATOM 92 CA THR A 6 -5.966 14.829 -4.361 1.00 0.00 C ATOM 93 C THR A 6 -6.116 15.477 -2.981 1.00 0.00 C ATOM 94 O THR A 6 -5.180 15.487 -2.178 1.00 0.00 O ATOM 95 CB THR A 6 -5.593 13.350 -4.218 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.534 12.748 -5.498 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.611 12.574 -3.380 1.00 0.00 C ATOM 0 H THR A 6 -4.156 14.999 -5.399 1.00 0.00 H new ATOM 0 HA THR A 6 -6.928 14.892 -4.870 1.00 0.00 H new ATOM 0 HB THR A 6 -4.626 13.313 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.771 11.800 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.303 11.531 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.665 13.007 -2.381 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.591 12.631 -3.854 1.00 0.00 H new ATOM 105 N GLU A 7 -7.302 16.021 -2.688 1.00 0.00 N ATOM 106 CA GLU A 7 -7.555 16.741 -1.432 1.00 0.00 C ATOM 107 C GLU A 7 -8.166 15.838 -0.352 1.00 0.00 C ATOM 108 O GLU A 7 -9.062 15.030 -0.614 1.00 0.00 O ATOM 109 CB GLU A 7 -8.455 17.965 -1.645 1.00 0.00 C ATOM 110 CG GLU A 7 -7.911 18.905 -2.733 1.00 0.00 C ATOM 111 CD GLU A 7 -8.679 20.239 -2.785 1.00 0.00 C ATOM 112 OE1 GLU A 7 -8.543 21.058 -1.845 1.00 0.00 O ATOM 113 OE2 GLU A 7 -9.417 20.476 -3.776 1.00 0.00 O ATOM 0 H GLU A 7 -8.110 15.976 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.579 17.078 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.456 17.634 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.548 18.513 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.855 19.102 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.976 18.412 -3.703 1.00 0.00 H new ATOM 120 N ILE A 8 -7.707 16.041 0.883 1.00 0.00 N ATOM 121 CA ILE A 8 -8.099 15.306 2.086 1.00 0.00 C ATOM 122 C ILE A 8 -8.740 16.295 3.059 1.00 0.00 C ATOM 123 O ILE A 8 -8.147 17.320 3.399 1.00 0.00 O ATOM 124 CB ILE A 8 -6.867 14.633 2.741 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.021 13.792 1.763 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.275 13.774 3.952 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.776 12.728 0.957 1.00 0.00 C ATOM 0 H ILE A 8 -7.014 16.762 1.082 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.807 14.520 1.825 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.236 15.457 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.532 14.469 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.233 13.297 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.388 13.316 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.762 14.403 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.964 12.994 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.078 12.202 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.242 12.017 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.546 13.208 0.352 1.00 0.00 H new ATOM 139 N LEU A 9 -9.962 15.992 3.496 1.00 0.00 N ATOM 140 CA LEU A 9 -10.633 16.706 4.588 1.00 0.00 C ATOM 141 C LEU A 9 -9.880 16.524 5.927 1.00 0.00 C ATOM 142 O LEU A 9 -9.621 15.395 6.351 1.00 0.00 O ATOM 143 CB LEU A 9 -12.081 16.181 4.680 1.00 0.00 C ATOM 144 CG LEU A 9 -12.983 16.957 5.655 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.336 18.354 5.140 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.284 16.187 5.882 1.00 0.00 C ATOM 0 H LEU A 9 -10.522 15.237 3.100 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.639 17.777 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.529 16.214 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.055 15.135 4.984 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.423 17.065 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.974 18.859 5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.422 18.931 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.864 18.269 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.919 16.741 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.804 16.063 4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.058 15.207 6.303 1.00 0.00 H new ATOM 158 N THR A 10 -9.592 17.626 6.631 1.00 0.00 N ATOM 159 CA THR A 10 -8.950 17.641 7.962 1.00 0.00 C ATOM 160 C THR A 10 -9.738 18.480 8.971 1.00 0.00 C ATOM 161 O THR A 10 -10.503 19.372 8.598 1.00 0.00 O ATOM 162 CB THR A 10 -7.497 18.153 7.909 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.449 19.539 7.635 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.632 17.430 6.877 1.00 0.00 C ATOM 0 H THR A 10 -9.803 18.562 6.285 1.00 0.00 H new ATOM 0 HA THR A 10 -8.942 16.602 8.291 1.00 0.00 H new ATOM 0 HB THR A 10 -7.091 17.945 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.515 19.835 7.609 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.623 17.842 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.594 16.367 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.061 17.565 5.884 1.00 0.00 H new ATOM 172 N VAL A 11 -9.561 18.201 10.268 1.00 0.00 N ATOM 173 CA VAL A 11 -10.155 19.014 11.356 1.00 0.00 C ATOM 174 C VAL A 11 -9.370 20.313 11.594 1.00 0.00 C ATOM 175 O VAL A 11 -9.954 21.339 11.944 1.00 0.00 O ATOM 176 CB VAL A 11 -10.266 18.207 12.667 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.008 18.965 13.776 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.019 16.883 12.463 1.00 0.00 C ATOM 0 H VAL A 11 -9.007 17.412 10.600 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.160 19.284 11.032 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.233 18.029 12.964 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.054 18.346 14.672 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.478 19.891 14.001 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.020 19.197 13.444 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.075 16.346 13.410 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.027 17.089 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.490 16.273 11.731 1.00 0.00 H new ATOM 188 N GLU A 12 -8.051 20.293 11.370 1.00 0.00 N ATOM 189 CA GLU A 12 -7.171 21.457 11.567 1.00 0.00 C ATOM 190 C GLU A 12 -7.449 22.617 10.600 1.00 0.00 C ATOM 191 O GLU A 12 -7.335 23.781 11.001 1.00 0.00 O ATOM 192 CB GLU A 12 -5.707 21.019 11.406 1.00 0.00 C ATOM 193 CG GLU A 12 -5.087 20.483 12.701 1.00 0.00 C ATOM 194 CD GLU A 12 -4.941 21.586 13.770 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.003 22.414 13.677 1.00 0.00 O ATOM 196 OE2 GLU A 12 -5.763 21.633 14.719 1.00 0.00 O ATOM 0 H GLU A 12 -7.557 19.462 11.044 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.373 21.828 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.648 20.248 10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.119 21.866 11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.707 19.677 13.094 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.108 20.056 12.485 1.00 0.00 H new ATOM 203 N TYR A 13 -7.827 22.317 9.350 1.00 0.00 N ATOM 204 CA TYR A 13 -7.988 23.327 8.292 1.00 0.00 C ATOM 205 C TYR A 13 -9.206 23.088 7.393 1.00 0.00 C ATOM 206 O TYR A 13 -9.933 24.037 7.087 1.00 0.00 O ATOM 207 CB TYR A 13 -6.724 23.349 7.415 1.00 0.00 C ATOM 208 CG TYR A 13 -5.439 23.766 8.113 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.302 25.084 8.589 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.371 22.854 8.250 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.105 25.493 9.208 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.169 23.261 8.863 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.034 24.582 9.345 1.00 0.00 C ATOM 214 OH TYR A 13 -1.875 24.988 9.929 1.00 0.00 O ATOM 0 H TYR A 13 -8.030 21.366 9.042 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.145 24.281 8.796 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.580 22.354 6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.897 24.027 6.579 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.117 25.784 8.479 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.475 21.843 7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.006 26.503 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.351 22.563 8.964 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.239 24.242 9.947 1.00 0.00 H new ATOM 224 N GLY A 14 -9.426 21.845 6.954 1.00 0.00 N ATOM 225 CA GLY A 14 -10.455 21.488 5.976 1.00 0.00 C ATOM 226 C GLY A 14 -9.852 20.755 4.779 1.00 0.00 C ATOM 227 O GLY A 14 -8.933 19.953 4.927 1.00 0.00 O ATOM 0 H GLY A 14 -8.882 21.044 7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.207 20.858 6.450 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.964 22.389 5.635 1.00 0.00 H new ATOM 231 N LEU A 15 -10.393 21.014 3.592 1.00 0.00 N ATOM 232 CA LEU A 15 -9.939 20.449 2.318 1.00 0.00 C ATOM 233 C LEU A 15 -8.533 20.974 1.940 1.00 0.00 C ATOM 234 O LEU A 15 -8.388 22.161 1.629 1.00 0.00 O ATOM 235 CB LEU A 15 -10.974 20.836 1.239 1.00 0.00 C ATOM 236 CG LEU A 15 -12.423 20.402 1.534 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.356 20.948 0.456 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.531 18.882 1.597 1.00 0.00 C ATOM 0 H LEU A 15 -11.187 21.645 3.483 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.860 19.365 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.955 21.918 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.667 20.398 0.290 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.715 20.806 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.379 20.638 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.301 22.037 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.055 20.560 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.563 18.599 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.224 18.456 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.883 18.504 2.388 1.00 0.00 H new ATOM 250 N LEU A 16 -7.508 20.110 1.954 1.00 0.00 N ATOM 251 CA LEU A 16 -6.128 20.433 1.544 1.00 0.00 C ATOM 252 C LEU A 16 -5.449 19.303 0.737 1.00 0.00 C ATOM 253 O LEU A 16 -5.762 18.128 0.955 1.00 0.00 O ATOM 254 CB LEU A 16 -5.284 20.724 2.802 1.00 0.00 C ATOM 255 CG LEU A 16 -5.581 22.060 3.503 1.00 0.00 C ATOM 256 CD1 LEU A 16 -4.697 22.158 4.741 1.00 0.00 C ATOM 257 CD2 LEU A 16 -5.280 23.269 2.613 1.00 0.00 C ATOM 0 H LEU A 16 -7.615 19.142 2.258 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.186 21.304 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.439 19.916 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.230 20.706 2.524 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.643 22.076 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.892 23.100 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.917 21.327 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.649 22.117 4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.507 24.186 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.226 23.263 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.892 23.219 1.713 1.00 0.00 H new ATOM 269 N PRO A 17 -4.491 19.621 -0.162 1.00 0.00 N ATOM 270 CA PRO A 17 -3.758 18.637 -0.967 1.00 0.00 C ATOM 271 C PRO A 17 -2.870 17.719 -0.114 1.00 0.00 C ATOM 272 O PRO A 17 -2.039 18.190 0.670 1.00 0.00 O ATOM 273 CB PRO A 17 -2.928 19.465 -1.961 1.00 0.00 C ATOM 274 CG PRO A 17 -2.755 20.818 -1.279 1.00 0.00 C ATOM 275 CD PRO A 17 -4.052 20.973 -0.495 1.00 0.00 C ATOM 0 HA PRO A 17 -4.444 17.959 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.965 18.996 -2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.439 19.565 -2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.883 20.832 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.623 21.622 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.893 21.564 0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.805 21.492 -1.088 1.00 0.00 H new ATOM 283 N ILE A 18 -2.995 16.397 -0.297 1.00 0.00 N ATOM 284 CA ILE A 18 -2.185 15.394 0.423 1.00 0.00 C ATOM 285 C ILE A 18 -0.680 15.570 0.210 1.00 0.00 C ATOM 286 O ILE A 18 0.103 15.389 1.144 1.00 0.00 O ATOM 287 CB ILE A 18 -2.623 13.959 0.062 1.00 0.00 C ATOM 288 CG1 ILE A 18 -1.969 12.944 1.026 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.359 13.598 -1.407 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.636 11.567 0.989 1.00 0.00 C ATOM 0 H ILE A 18 -3.663 15.988 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.371 15.561 1.484 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.705 13.912 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.914 12.837 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.014 13.336 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.689 12.577 -1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.908 14.282 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.292 13.679 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.131 10.899 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.684 11.663 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.568 11.157 -0.019 1.00 0.00 H new ATOM 302 N GLY A 19 -0.263 15.977 -0.993 1.00 0.00 N ATOM 303 CA GLY A 19 1.153 16.130 -1.305 1.00 0.00 C ATOM 304 C GLY A 19 1.826 17.226 -0.484 1.00 0.00 C ATOM 305 O GLY A 19 2.980 17.068 -0.101 1.00 0.00 O ATOM 0 H GLY A 19 -0.890 16.206 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.664 15.184 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.264 16.357 -2.365 1.00 0.00 H new ATOM 309 N LYS A 20 1.095 18.289 -0.114 1.00 0.00 N ATOM 310 CA LYS A 20 1.617 19.343 0.766 1.00 0.00 C ATOM 311 C LYS A 20 1.772 18.842 2.202 1.00 0.00 C ATOM 312 O LYS A 20 2.765 19.154 2.851 1.00 0.00 O ATOM 313 CB LYS A 20 0.707 20.577 0.677 1.00 0.00 C ATOM 314 CG LYS A 20 1.375 21.817 1.290 1.00 0.00 C ATOM 315 CD LYS A 20 0.517 23.072 1.078 1.00 0.00 C ATOM 316 CE LYS A 20 1.225 24.296 1.673 1.00 0.00 C ATOM 317 NZ LYS A 20 0.460 25.547 1.425 1.00 0.00 N ATOM 0 H LYS A 20 0.132 18.441 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 20 2.615 19.628 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.461 20.774 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.232 20.376 1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.534 21.658 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.357 21.964 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.339 23.226 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.457 22.941 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.355 24.155 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.221 24.387 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.968 26.353 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.357 25.694 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.482 25.470 1.860 1.00 0.00 H new ATOM 331 N ILE A 21 0.844 18.006 2.680 1.00 0.00 N ATOM 332 CA ILE A 21 0.901 17.412 4.024 1.00 0.00 C ATOM 333 C ILE A 21 2.124 16.508 4.165 1.00 0.00 C ATOM 334 O ILE A 21 2.765 16.520 5.208 1.00 0.00 O ATOM 335 CB ILE A 21 -0.410 16.665 4.368 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.597 17.657 4.428 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.314 15.849 5.668 1.00 0.00 C ATOM 338 CD1 ILE A 21 -2.976 16.999 4.307 1.00 0.00 C ATOM 0 H ILE A 21 0.026 17.719 2.143 1.00 0.00 H new ATOM 0 HA ILE A 21 1.004 18.221 4.747 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.583 15.947 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.550 18.205 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.485 18.388 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.264 15.349 5.855 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.476 15.104 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.085 16.515 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.750 17.765 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.047 16.475 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.113 16.289 5.122 1.00 0.00 H new ATOM 350 N VAL A 22 2.486 15.768 3.119 1.00 0.00 N ATOM 351 CA VAL A 22 3.625 14.838 3.142 1.00 0.00 C ATOM 352 C VAL A 22 4.958 15.527 2.815 1.00 0.00 C ATOM 353 O VAL A 22 5.967 15.223 3.448 1.00 0.00 O ATOM 354 CB VAL A 22 3.326 13.662 2.201 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.476 12.655 2.131 1.00 0.00 C ATOM 356 CG2 VAL A 22 2.077 12.918 2.702 1.00 0.00 C ATOM 0 H VAL A 22 1.998 15.793 2.224 1.00 0.00 H new ATOM 0 HA VAL A 22 3.747 14.458 4.156 1.00 0.00 H new ATOM 0 HB VAL A 22 3.177 14.081 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.210 11.845 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.374 13.153 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.664 12.248 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.860 12.082 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.257 12.543 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.227 13.601 2.715 1.00 0.00 H new ATOM 366 N GLU A 23 4.979 16.506 1.903 1.00 0.00 N ATOM 367 CA GLU A 23 6.183 17.305 1.600 1.00 0.00 C ATOM 368 C GLU A 23 6.585 18.257 2.741 1.00 0.00 C ATOM 369 O GLU A 23 7.767 18.591 2.875 1.00 0.00 O ATOM 370 CB GLU A 23 5.990 18.121 0.308 1.00 0.00 C ATOM 371 CG GLU A 23 6.040 17.264 -0.966 1.00 0.00 C ATOM 372 CD GLU A 23 7.489 16.902 -1.346 1.00 0.00 C ATOM 373 OE1 GLU A 23 8.009 15.858 -0.882 1.00 0.00 O ATOM 374 OE2 GLU A 23 8.130 17.672 -2.105 1.00 0.00 O ATOM 0 H GLU A 23 4.163 16.771 1.351 1.00 0.00 H new ATOM 0 HA GLU A 23 6.990 16.584 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.031 18.637 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.763 18.888 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.463 16.351 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.571 17.805 -1.788 1.00 0.00 H new ATOM 381 N LYS A 24 5.623 18.661 3.584 1.00 0.00 N ATOM 382 CA LYS A 24 5.823 19.582 4.723 1.00 0.00 C ATOM 383 C LYS A 24 5.610 18.904 6.090 1.00 0.00 C ATOM 384 O LYS A 24 5.715 19.570 7.123 1.00 0.00 O ATOM 385 CB LYS A 24 4.912 20.820 4.561 1.00 0.00 C ATOM 386 CG LYS A 24 5.021 21.569 3.220 1.00 0.00 C ATOM 387 CD LYS A 24 6.301 22.400 3.058 1.00 0.00 C ATOM 388 CE LYS A 24 6.258 23.647 3.956 1.00 0.00 C ATOM 389 NZ LYS A 24 7.463 24.501 3.777 1.00 0.00 N ATOM 0 H LYS A 24 4.656 18.350 3.493 1.00 0.00 H new ATOM 0 HA LYS A 24 6.866 19.899 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.877 20.505 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.138 21.520 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.968 20.844 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.159 22.228 3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.169 21.792 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.416 22.700 2.016 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.364 24.228 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.182 23.341 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.396 25.331 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.314 23.955 4.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.522 24.815 2.787 1.00 0.00 H new ATOM 403 N ARG A 25 5.336 17.588 6.103 1.00 0.00 N ATOM 404 CA ARG A 25 5.061 16.733 7.285 1.00 0.00 C ATOM 405 C ARG A 25 4.052 17.370 8.257 1.00 0.00 C ATOM 406 O ARG A 25 4.296 17.482 9.460 1.00 0.00 O ATOM 407 CB ARG A 25 6.382 16.299 7.945 1.00 0.00 C ATOM 408 CG ARG A 25 7.306 15.518 6.984 1.00 0.00 C ATOM 409 CD ARG A 25 8.729 16.085 6.984 1.00 0.00 C ATOM 410 NE ARG A 25 9.456 15.754 8.227 1.00 0.00 N ATOM 411 CZ ARG A 25 10.587 16.289 8.653 1.00 0.00 C ATOM 412 NH1 ARG A 25 11.185 17.260 8.020 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.150 15.852 9.746 1.00 0.00 N ATOM 0 H ARG A 25 5.297 17.053 5.236 1.00 0.00 H new ATOM 0 HA ARG A 25 4.563 15.825 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.908 17.182 8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.162 15.678 8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.332 14.468 7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.898 15.557 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.276 15.691 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.688 17.168 6.865 1.00 0.00 H new ATOM 0 HE ARG A 25 9.040 15.036 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.781 17.635 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.057 17.645 8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.717 15.095 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.023 16.268 10.071 1.00 0.00 H new ATOM 427 N ILE A 26 2.939 17.861 7.703 1.00 0.00 N ATOM 428 CA ILE A 26 1.900 18.612 8.428 1.00 0.00 C ATOM 429 C ILE A 26 1.141 17.660 9.360 1.00 0.00 C ATOM 430 O ILE A 26 0.555 16.671 8.918 1.00 0.00 O ATOM 431 CB ILE A 26 0.939 19.350 7.460 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.744 20.255 6.501 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.114 20.165 8.235 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.926 21.012 5.449 1.00 0.00 C ATOM 0 H ILE A 26 2.727 17.746 6.712 1.00 0.00 H new ATOM 0 HA ILE A 26 2.382 19.384 9.028 1.00 0.00 H new ATOM 0 HB ILE A 26 0.406 18.605 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.296 20.982 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.482 19.640 5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.773 20.671 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.701 19.496 8.865 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.386 20.905 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.594 21.614 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.395 20.299 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.206 21.662 5.946 1.00 0.00 H new ATOM 446 N GLU A 27 1.152 17.955 10.657 1.00 0.00 N ATOM 447 CA GLU A 27 0.358 17.241 11.664 1.00 0.00 C ATOM 448 C GLU A 27 -1.080 17.773 11.706 1.00 0.00 C ATOM 449 O GLU A 27 -1.332 18.952 11.970 1.00 0.00 O ATOM 450 CB GLU A 27 1.022 17.275 13.052 1.00 0.00 C ATOM 451 CG GLU A 27 1.701 18.607 13.392 1.00 0.00 C ATOM 452 CD GLU A 27 1.999 18.719 14.899 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.830 17.939 15.426 1.00 0.00 O ATOM 454 OE2 GLU A 27 1.408 19.598 15.576 1.00 0.00 O ATOM 0 H GLU A 27 1.720 18.707 11.048 1.00 0.00 H new ATOM 0 HA GLU A 27 0.315 16.193 11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.267 17.061 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.763 16.478 13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.630 18.698 12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.060 19.433 13.084 1.00 0.00 H new ATOM 461 N CYS A 28 -2.025 16.872 11.442 1.00 0.00 N ATOM 462 CA CYS A 28 -3.460 17.155 11.427 1.00 0.00 C ATOM 463 C CYS A 28 -4.312 15.920 11.751 1.00 0.00 C ATOM 464 O CYS A 28 -3.859 14.773 11.686 1.00 0.00 O ATOM 465 CB CYS A 28 -3.849 17.766 10.065 1.00 0.00 C ATOM 466 SG CYS A 28 -3.311 16.729 8.665 1.00 0.00 S ATOM 0 H CYS A 28 -1.808 15.899 11.227 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.668 17.875 12.218 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.930 17.897 10.023 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.404 18.757 9.973 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.233 15.489 9.048 1.00 0.00 H new ATOM 472 N THR A 29 -5.578 16.176 12.078 1.00 0.00 N ATOM 473 CA THR A 29 -6.617 15.157 12.300 1.00 0.00 C ATOM 474 C THR A 29 -7.362 14.881 10.990 1.00 0.00 C ATOM 475 O THR A 29 -7.595 15.804 10.209 1.00 0.00 O ATOM 476 CB THR A 29 -7.634 15.630 13.359 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.097 16.575 14.265 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.212 14.500 14.200 1.00 0.00 C ATOM 0 H THR A 29 -5.925 17.127 12.201 1.00 0.00 H new ATOM 0 HA THR A 29 -6.129 14.249 12.654 1.00 0.00 H new ATOM 0 HB THR A 29 -8.420 16.084 12.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.786 16.838 14.910 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.919 14.909 14.922 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.725 13.790 13.552 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.406 13.991 14.729 1.00 0.00 H new ATOM 486 N VAL A 30 -7.787 13.635 10.773 1.00 0.00 N ATOM 487 CA VAL A 30 -8.460 13.137 9.553 1.00 0.00 C ATOM 488 C VAL A 30 -9.760 12.403 9.910 1.00 0.00 C ATOM 489 O VAL A 30 -10.048 12.223 11.094 1.00 0.00 O ATOM 490 CB VAL A 30 -7.521 12.233 8.718 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.206 12.940 8.373 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.184 10.896 9.392 1.00 0.00 C ATOM 0 H VAL A 30 -7.669 12.903 11.473 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.715 14.000 8.938 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.088 12.023 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.576 12.271 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.417 13.839 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.688 13.213 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.522 10.319 8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.688 11.083 10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.102 10.334 9.565 1.00 0.00 H new ATOM 502 N TYR A 31 -10.526 11.947 8.911 1.00 0.00 N ATOM 503 CA TYR A 31 -11.833 11.293 9.076 1.00 0.00 C ATOM 504 C TYR A 31 -11.818 9.893 8.462 1.00 0.00 C ATOM 505 O TYR A 31 -11.194 9.671 7.423 1.00 0.00 O ATOM 506 CB TYR A 31 -12.959 12.112 8.418 1.00 0.00 C ATOM 507 CG TYR A 31 -13.175 13.522 8.939 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.283 14.556 8.591 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.312 13.809 9.718 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.514 15.871 9.039 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.564 15.130 10.141 1.00 0.00 C ATOM 512 CZ TYR A 31 -13.667 16.165 9.799 1.00 0.00 C ATOM 513 OH TYR A 31 -13.927 17.444 10.182 1.00 0.00 O ATOM 0 H TYR A 31 -10.245 12.025 7.934 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.023 11.224 10.147 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.755 12.173 7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -13.892 11.561 8.534 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.420 14.339 7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -14.992 13.016 9.992 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.809 16.654 8.801 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.444 15.350 10.727 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.760 17.468 10.697 1.00 0.00 H new ATOM 523 N SER A 32 -12.526 8.957 9.095 1.00 0.00 N ATOM 524 CA SER A 32 -12.638 7.548 8.689 1.00 0.00 C ATOM 525 C SER A 32 -13.902 6.907 9.297 1.00 0.00 C ATOM 526 O SER A 32 -14.523 7.494 10.184 1.00 0.00 O ATOM 527 CB SER A 32 -11.361 6.819 9.135 1.00 0.00 C ATOM 528 OG SER A 32 -11.435 5.435 8.863 1.00 0.00 O ATOM 0 H SER A 32 -13.060 9.164 9.939 1.00 0.00 H new ATOM 0 HA SER A 32 -12.737 7.471 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.499 7.246 8.623 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.206 6.974 10.203 1.00 0.00 H new ATOM 0 HG SER A 32 -11.377 5.288 7.896 1.00 0.00 H new ATOM 534 N VAL A 33 -14.299 5.717 8.828 1.00 0.00 N ATOM 535 CA VAL A 33 -15.440 4.937 9.346 1.00 0.00 C ATOM 536 C VAL A 33 -14.939 3.831 10.288 1.00 0.00 C ATOM 537 O VAL A 33 -14.098 3.014 9.903 1.00 0.00 O ATOM 538 CB VAL A 33 -16.278 4.302 8.212 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.669 3.970 8.736 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.453 5.196 6.977 1.00 0.00 C ATOM 0 H VAL A 33 -13.823 5.253 8.054 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.082 5.631 9.889 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.724 3.417 7.901 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.261 3.522 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.587 3.267 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.155 4.883 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.053 4.674 6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.956 6.120 7.265 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.475 5.431 6.556 1.00 0.00 H new ATOM 550 N ASP A 34 -15.438 3.806 11.527 1.00 0.00 N ATOM 551 CA ASP A 34 -15.042 2.850 12.571 1.00 0.00 C ATOM 552 C ASP A 34 -15.584 1.414 12.362 1.00 0.00 C ATOM 553 O ASP A 34 -16.310 1.112 11.409 1.00 0.00 O ATOM 554 CB ASP A 34 -15.369 3.425 13.971 1.00 0.00 C ATOM 555 CG ASP A 34 -16.806 3.246 14.488 1.00 0.00 C ATOM 556 OD1 ASP A 34 -17.685 2.805 13.724 1.00 0.00 O ATOM 557 OD2 ASP A 34 -17.044 3.491 15.699 1.00 0.00 O ATOM 0 H ASP A 34 -16.148 4.467 11.842 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.962 2.727 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.692 2.966 14.691 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.145 4.492 13.958 1.00 0.00 H new ATOM 562 N ASN A 35 -15.236 0.511 13.288 1.00 0.00 N ATOM 563 CA ASN A 35 -15.687 -0.892 13.290 1.00 0.00 C ATOM 564 C ASN A 35 -17.213 -1.067 13.485 1.00 0.00 C ATOM 565 O ASN A 35 -17.761 -2.121 13.150 1.00 0.00 O ATOM 566 CB ASN A 35 -14.922 -1.667 14.377 1.00 0.00 C ATOM 567 CG ASN A 35 -13.420 -1.700 14.140 1.00 0.00 C ATOM 568 OD1 ASN A 35 -12.935 -2.172 13.120 1.00 0.00 O ATOM 569 ND2 ASN A 35 -12.635 -1.198 15.068 1.00 0.00 N ATOM 0 H ASN A 35 -14.623 0.736 14.071 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.470 -1.292 12.299 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.121 -1.212 15.347 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.300 -2.689 14.420 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.623 -1.202 14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.038 -0.804 15.918 1.00 0.00 H new ATOM 576 N ASN A 36 -17.904 -0.046 14.004 1.00 0.00 N ATOM 577 CA ASN A 36 -19.365 0.016 14.143 1.00 0.00 C ATOM 578 C ASN A 36 -20.043 0.641 12.897 1.00 0.00 C ATOM 579 O ASN A 36 -21.271 0.752 12.850 1.00 0.00 O ATOM 580 CB ASN A 36 -19.714 0.825 15.413 1.00 0.00 C ATOM 581 CG ASN A 36 -18.965 0.375 16.658 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.146 -0.728 17.159 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.110 1.213 17.203 1.00 0.00 N ATOM 0 H ASN A 36 -17.443 0.794 14.353 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.746 -1.001 14.231 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.497 1.878 15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.785 0.747 15.598 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.598 0.944 18.043 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.959 2.131 16.786 1.00 0.00 H new ATOM 590 N GLY A 37 -19.261 1.078 11.902 1.00 0.00 N ATOM 591 CA GLY A 37 -19.709 1.789 10.702 1.00 0.00 C ATOM 592 C GLY A 37 -20.119 3.253 10.940 1.00 0.00 C ATOM 593 O GLY A 37 -20.987 3.762 10.227 1.00 0.00 O ATOM 0 H GLY A 37 -18.251 0.938 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -18.909 1.765 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.556 1.253 10.273 1.00 0.00 H new ATOM 597 N ASN A 38 -19.520 3.933 11.926 1.00 0.00 N ATOM 598 CA ASN A 38 -19.758 5.347 12.244 1.00 0.00 C ATOM 599 C ASN A 38 -18.512 6.188 11.923 1.00 0.00 C ATOM 600 O ASN A 38 -17.381 5.774 12.185 1.00 0.00 O ATOM 601 CB ASN A 38 -20.123 5.488 13.735 1.00 0.00 C ATOM 602 CG ASN A 38 -21.552 5.078 14.038 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.433 5.907 14.228 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.838 3.796 14.093 1.00 0.00 N ATOM 0 H ASN A 38 -18.834 3.500 12.544 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.585 5.711 11.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.442 4.878 14.329 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.975 6.523 14.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.792 3.494 14.293 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.106 3.103 13.935 1.00 0.00 H new ATOM 611 N ILE A 39 -18.709 7.389 11.371 1.00 0.00 N ATOM 612 CA ILE A 39 -17.619 8.324 11.091 1.00 0.00 C ATOM 613 C ILE A 39 -17.033 8.826 12.415 1.00 0.00 C ATOM 614 O ILE A 39 -17.758 9.251 13.320 1.00 0.00 O ATOM 615 CB ILE A 39 -18.079 9.493 10.194 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.644 8.954 8.860 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.896 10.446 9.920 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.302 10.042 8.010 1.00 0.00 C ATOM 0 H ILE A 39 -19.630 7.739 11.106 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.843 7.800 10.534 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.865 10.043 10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.838 8.492 8.290 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.374 8.172 9.070 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.230 11.268 9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.523 10.844 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.098 9.900 9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.680 9.603 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.128 10.487 8.565 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.568 10.812 7.772 1.00 0.00 H new ATOM 630 N TYR A 40 -15.708 8.807 12.491 1.00 0.00 N ATOM 631 CA TYR A 40 -14.913 9.331 13.599 1.00 0.00 C ATOM 632 C TYR A 40 -13.674 10.085 13.094 1.00 0.00 C ATOM 633 O TYR A 40 -13.299 9.981 11.920 1.00 0.00 O ATOM 634 CB TYR A 40 -14.541 8.188 14.562 1.00 0.00 C ATOM 635 CG TYR A 40 -13.391 7.284 14.132 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.544 6.375 13.065 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.175 7.319 14.844 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.501 5.494 12.720 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.137 6.425 14.519 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.307 5.498 13.468 1.00 0.00 C ATOM 641 OH TYR A 40 -10.336 4.586 13.214 1.00 0.00 O ATOM 0 H TYR A 40 -15.131 8.409 11.750 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.513 10.057 14.149 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.289 8.624 15.528 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.425 7.568 14.713 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.469 6.354 12.508 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -12.039 8.034 15.642 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.616 4.818 11.886 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.211 6.448 15.074 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.472 5.041 13.137 1.00 0.00 H new ATOM 651 N THR A 41 -13.028 10.835 13.990 1.00 0.00 N ATOM 652 CA THR A 41 -11.816 11.616 13.701 1.00 0.00 C ATOM 653 C THR A 41 -10.627 11.144 14.536 1.00 0.00 C ATOM 654 O THR A 41 -10.772 10.746 15.697 1.00 0.00 O ATOM 655 CB THR A 41 -12.027 13.132 13.887 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.715 13.423 15.088 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.819 13.739 12.733 1.00 0.00 C ATOM 0 H THR A 41 -13.337 10.920 14.958 1.00 0.00 H new ATOM 0 HA THR A 41 -11.593 11.442 12.648 1.00 0.00 H new ATOM 0 HB THR A 41 -11.029 13.568 13.919 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.829 14.393 15.173 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.946 14.808 12.902 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.280 13.581 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.797 13.262 12.673 1.00 0.00 H new ATOM 665 N GLN A 42 -9.437 11.171 13.926 1.00 0.00 N ATOM 666 CA GLN A 42 -8.199 10.615 14.486 1.00 0.00 C ATOM 667 C GLN A 42 -6.950 11.368 13.984 1.00 0.00 C ATOM 668 O GLN A 42 -6.951 11.837 12.843 1.00 0.00 O ATOM 669 CB GLN A 42 -8.116 9.119 14.119 1.00 0.00 C ATOM 670 CG GLN A 42 -8.104 8.842 12.599 1.00 0.00 C ATOM 671 CD GLN A 42 -8.085 7.355 12.248 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.789 6.492 13.058 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.387 7.005 11.014 1.00 0.00 N ATOM 0 H GLN A 42 -9.304 11.591 13.006 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.222 10.733 15.569 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.214 8.697 14.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.963 8.599 14.566 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.983 9.302 12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.231 9.322 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.636 7.718 10.328 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.372 6.021 10.745 1.00 0.00 H new ATOM 682 N PRO A 43 -5.883 11.507 14.792 1.00 0.00 N ATOM 683 CA PRO A 43 -4.639 12.151 14.363 1.00 0.00 C ATOM 684 C PRO A 43 -3.824 11.273 13.400 1.00 0.00 C ATOM 685 O PRO A 43 -3.859 10.040 13.467 1.00 0.00 O ATOM 686 CB PRO A 43 -3.867 12.426 15.659 1.00 0.00 C ATOM 687 CG PRO A 43 -4.340 11.320 16.601 1.00 0.00 C ATOM 688 CD PRO A 43 -5.793 11.098 16.187 1.00 0.00 C ATOM 0 HA PRO A 43 -4.842 13.063 13.802 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.789 12.384 15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.092 13.415 16.057 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.746 10.413 16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.262 11.621 17.646 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.076 10.052 16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.469 11.684 16.809 1.00 0.00 H new ATOM 696 N VAL A 44 -3.044 11.916 12.523 1.00 0.00 N ATOM 697 CA VAL A 44 -2.028 11.257 11.682 1.00 0.00 C ATOM 698 C VAL A 44 -0.984 10.513 12.538 1.00 0.00 C ATOM 699 O VAL A 44 -0.539 11.021 13.572 1.00 0.00 O ATOM 700 CB VAL A 44 -1.374 12.283 10.730 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.594 13.402 11.433 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.434 11.620 9.721 1.00 0.00 C ATOM 0 H VAL A 44 -3.099 12.923 12.373 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.522 10.502 11.070 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.228 12.733 10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.170 14.074 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.266 13.960 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.209 12.967 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.001 12.382 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.361 11.098 10.253 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.994 10.907 9.116 1.00 0.00 H new ATOM 712 N ALA A 45 -0.576 9.317 12.102 1.00 0.00 N ATOM 713 CA ALA A 45 0.466 8.513 12.753 1.00 0.00 C ATOM 714 C ALA A 45 1.836 8.618 12.053 1.00 0.00 C ATOM 715 O ALA A 45 2.868 8.608 12.729 1.00 0.00 O ATOM 716 CB ALA A 45 -0.007 7.054 12.812 1.00 0.00 C ATOM 0 H ALA A 45 -0.967 8.872 11.272 1.00 0.00 H new ATOM 0 HA ALA A 45 0.618 8.905 13.759 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.757 6.443 13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.933 6.995 13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.181 6.687 11.801 1.00 0.00 H new ATOM 722 N GLN A 46 1.855 8.732 10.715 1.00 0.00 N ATOM 723 CA GLN A 46 3.068 8.949 9.907 1.00 0.00 C ATOM 724 C GLN A 46 2.761 9.539 8.516 1.00 0.00 C ATOM 725 O GLN A 46 1.599 9.633 8.114 1.00 0.00 O ATOM 726 CB GLN A 46 3.877 7.649 9.792 1.00 0.00 C ATOM 727 CG GLN A 46 3.249 6.559 8.923 1.00 0.00 C ATOM 728 CD GLN A 46 3.418 5.191 9.574 1.00 0.00 C ATOM 729 OE1 GLN A 46 4.232 4.364 9.182 1.00 0.00 O ATOM 730 NE2 GLN A 46 2.693 4.931 10.642 1.00 0.00 N ATOM 0 H GLN A 46 1.007 8.675 10.151 1.00 0.00 H new ATOM 0 HA GLN A 46 3.671 9.693 10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.861 7.888 9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.031 7.247 10.794 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.190 6.769 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.714 6.559 7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.013 5.614 10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.812 4.047 11.136 1.00 0.00 H new ATOM 739 N TRP A 47 3.806 9.856 7.749 1.00 0.00 N ATOM 740 CA TRP A 47 3.732 10.400 6.387 1.00 0.00 C ATOM 741 C TRP A 47 4.535 9.486 5.443 1.00 0.00 C ATOM 742 O TRP A 47 5.644 9.061 5.780 1.00 0.00 O ATOM 743 CB TRP A 47 4.269 11.846 6.385 1.00 0.00 C ATOM 744 CG TRP A 47 3.560 12.819 7.286 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.643 13.736 6.895 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.698 12.992 8.732 1.00 0.00 C ATOM 747 NE1 TRP A 47 2.210 14.468 7.986 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.815 14.035 9.145 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.476 12.379 9.742 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.701 14.429 10.483 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.343 12.751 11.096 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.450 13.771 11.469 1.00 0.00 C ATOM 0 H TRP A 47 4.767 9.737 8.071 1.00 0.00 H new ATOM 0 HA TRP A 47 2.701 10.430 6.036 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.321 11.821 6.668 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.222 12.227 5.365 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.300 13.875 5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.532 15.228 7.938 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.186 11.611 9.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.038 15.237 10.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.931 12.249 11.851 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.342 14.046 12.508 1.00 0.00 H new ATOM 763 N HIS A 48 3.976 9.177 4.272 1.00 0.00 N ATOM 764 CA HIS A 48 4.518 8.212 3.308 1.00 0.00 C ATOM 765 C HIS A 48 4.711 8.865 1.929 1.00 0.00 C ATOM 766 O HIS A 48 3.757 9.307 1.285 1.00 0.00 O ATOM 767 CB HIS A 48 3.572 7.008 3.173 1.00 0.00 C ATOM 768 CG HIS A 48 3.361 6.169 4.409 1.00 0.00 C ATOM 769 ND1 HIS A 48 4.236 5.240 4.932 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.191 6.055 5.112 1.00 0.00 C ATOM 771 CE1 HIS A 48 3.607 4.585 5.925 1.00 0.00 C ATOM 772 NE2 HIS A 48 2.354 5.052 6.077 1.00 0.00 N ATOM 0 H HIS A 48 3.105 9.604 3.956 1.00 0.00 H new ATOM 0 HA HIS A 48 5.487 7.875 3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.601 7.374 2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.956 6.361 2.384 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.296 6.638 4.950 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.046 3.795 6.517 1.00 0.00 H new ATOM 0 HE2 HIS A 48 1.662 4.739 6.758 1.00 0.00 H new ATOM 780 N ASP A 49 5.953 8.882 1.449 1.00 0.00 N ATOM 781 CA ASP A 49 6.368 9.511 0.192 1.00 0.00 C ATOM 782 C ASP A 49 6.969 8.464 -0.759 1.00 0.00 C ATOM 783 O ASP A 49 8.036 7.893 -0.517 1.00 0.00 O ATOM 784 CB ASP A 49 7.322 10.687 0.467 1.00 0.00 C ATOM 785 CG ASP A 49 8.628 10.311 1.199 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.584 9.953 2.404 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.721 10.432 0.594 1.00 0.00 O ATOM 0 H ASP A 49 6.729 8.442 1.942 1.00 0.00 H new ATOM 0 HA ASP A 49 5.494 9.927 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.578 11.157 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.793 11.433 1.060 1.00 0.00 H new ATOM 792 N ARG A 50 6.226 8.176 -1.833 1.00 0.00 N ATOM 793 CA ARG A 50 6.541 7.118 -2.809 1.00 0.00 C ATOM 794 C ARG A 50 7.463 7.596 -3.931 1.00 0.00 C ATOM 795 O ARG A 50 8.236 6.809 -4.477 1.00 0.00 O ATOM 796 CB ARG A 50 5.226 6.619 -3.405 1.00 0.00 C ATOM 797 CG ARG A 50 4.237 6.067 -2.358 1.00 0.00 C ATOM 798 CD ARG A 50 4.780 4.914 -1.498 1.00 0.00 C ATOM 799 NE ARG A 50 5.179 3.745 -2.313 1.00 0.00 N ATOM 800 CZ ARG A 50 5.460 2.522 -1.897 1.00 0.00 C ATOM 801 NH1 ARG A 50 5.448 2.185 -0.639 1.00 0.00 N ATOM 802 NH2 ARG A 50 5.752 1.608 -2.774 1.00 0.00 N ATOM 0 H ARG A 50 5.369 8.681 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 50 7.074 6.323 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.749 7.437 -3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.442 5.838 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.936 6.882 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.339 5.725 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.638 5.264 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.019 4.610 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 50 5.245 3.902 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.215 2.878 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.672 1.228 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.762 1.839 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.971 0.660 -2.469 1.00 0.00 H new ATOM 816 N GLY A 51 7.369 8.880 -4.274 1.00 0.00 N ATOM 817 CA GLY A 51 8.276 9.574 -5.190 1.00 0.00 C ATOM 818 C GLY A 51 7.819 9.562 -6.650 1.00 0.00 C ATOM 819 O GLY A 51 7.727 10.626 -7.254 1.00 0.00 O ATOM 0 H GLY A 51 6.635 9.487 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.384 10.608 -4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.262 9.114 -5.125 1.00 0.00 H new ATOM 823 N GLU A 52 7.504 8.389 -7.213 1.00 0.00 N ATOM 824 CA GLU A 52 7.220 8.197 -8.651 1.00 0.00 C ATOM 825 C GLU A 52 6.678 6.785 -8.927 1.00 0.00 C ATOM 826 O GLU A 52 7.437 5.818 -9.060 1.00 0.00 O ATOM 827 CB GLU A 52 8.476 8.357 -9.536 1.00 0.00 C ATOM 828 CG GLU A 52 8.935 9.784 -9.850 1.00 0.00 C ATOM 829 CD GLU A 52 9.922 9.820 -11.034 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.949 9.096 -11.004 1.00 0.00 O ATOM 831 OE2 GLU A 52 9.705 10.597 -11.997 1.00 0.00 O ATOM 0 H GLU A 52 7.437 7.525 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 52 6.488 8.966 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.301 7.837 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.290 7.846 -10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.068 10.402 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.409 10.216 -8.968 1.00 0.00 H new ATOM 838 N GLN A 53 5.358 6.668 -9.039 1.00 0.00 N ATOM 839 CA GLN A 53 4.665 5.430 -9.426 1.00 0.00 C ATOM 840 C GLN A 53 3.650 5.663 -10.557 1.00 0.00 C ATOM 841 O GLN A 53 3.279 6.797 -10.851 1.00 0.00 O ATOM 842 CB GLN A 53 4.000 4.848 -8.174 1.00 0.00 C ATOM 843 CG GLN A 53 5.039 4.653 -7.058 1.00 0.00 C ATOM 844 CD GLN A 53 4.521 3.989 -5.803 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.186 3.166 -5.185 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.411 4.429 -5.253 1.00 0.00 N ATOM 0 H GLN A 53 4.721 7.445 -8.861 1.00 0.00 H new ATOM 0 HA GLN A 53 5.387 4.718 -9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.209 5.515 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.531 3.894 -8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.863 4.057 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.449 5.627 -6.791 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.836 5.114 -5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.125 4.085 -4.336 1.00 0.00 H new ATOM 855 N GLU A 54 3.223 4.587 -11.223 1.00 0.00 N ATOM 856 CA GLU A 54 2.323 4.625 -12.389 1.00 0.00 C ATOM 857 C GLU A 54 0.888 5.080 -12.036 1.00 0.00 C ATOM 858 O GLU A 54 0.089 4.322 -11.482 1.00 0.00 O ATOM 859 CB GLU A 54 2.377 3.278 -13.142 1.00 0.00 C ATOM 860 CG GLU A 54 1.999 2.019 -12.339 1.00 0.00 C ATOM 861 CD GLU A 54 2.426 0.743 -13.090 1.00 0.00 C ATOM 862 OE1 GLU A 54 1.848 0.431 -14.160 1.00 0.00 O ATOM 863 OE2 GLU A 54 3.348 0.034 -12.613 1.00 0.00 O ATOM 0 H GLU A 54 3.498 3.640 -10.963 1.00 0.00 H new ATOM 0 HA GLU A 54 2.684 5.397 -13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.713 3.344 -14.004 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.388 3.144 -13.528 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.479 2.048 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.923 2.002 -12.166 1.00 0.00 H new ATOM 870 N VAL A 55 0.569 6.342 -12.342 1.00 0.00 N ATOM 871 CA VAL A 55 -0.720 6.992 -12.050 1.00 0.00 C ATOM 872 C VAL A 55 -1.662 6.904 -13.254 1.00 0.00 C ATOM 873 O VAL A 55 -1.278 7.145 -14.400 1.00 0.00 O ATOM 874 CB VAL A 55 -0.535 8.474 -11.658 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.829 9.092 -11.109 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.515 8.641 -10.558 1.00 0.00 C ATOM 0 H VAL A 55 1.223 6.964 -12.817 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.159 6.460 -11.206 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.227 8.974 -12.576 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.651 10.135 -10.846 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.609 9.037 -11.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.146 8.544 -10.222 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.617 9.697 -10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.204 8.088 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.473 8.257 -10.908 1.00 0.00 H new ATOM 886 N PHE A 56 -2.931 6.621 -12.972 1.00 0.00 N ATOM 887 CA PHE A 56 -4.009 6.505 -13.954 1.00 0.00 C ATOM 888 C PHE A 56 -5.163 7.450 -13.583 1.00 0.00 C ATOM 889 O PHE A 56 -5.467 7.663 -12.407 1.00 0.00 O ATOM 890 CB PHE A 56 -4.487 5.051 -14.005 1.00 0.00 C ATOM 891 CG PHE A 56 -3.557 4.061 -14.695 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.335 3.681 -14.100 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.957 3.443 -15.896 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.533 2.689 -14.690 1.00 0.00 C ATOM 895 CE2 PHE A 56 -3.159 2.445 -16.483 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.944 2.070 -15.883 1.00 0.00 C ATOM 0 H PHE A 56 -3.250 6.460 -12.017 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.643 6.791 -14.940 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.654 4.709 -12.984 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.452 5.025 -14.512 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.014 4.156 -13.185 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.882 3.737 -16.369 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.601 2.402 -14.226 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.480 1.966 -17.396 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.328 1.308 -16.338 1.00 0.00 H new ATOM 906 N GLU A 57 -5.817 8.009 -14.598 1.00 0.00 N ATOM 907 CA GLU A 57 -7.032 8.808 -14.446 1.00 0.00 C ATOM 908 C GLU A 57 -8.184 7.939 -13.919 1.00 0.00 C ATOM 909 O GLU A 57 -8.504 6.896 -14.494 1.00 0.00 O ATOM 910 CB GLU A 57 -7.394 9.436 -15.804 1.00 0.00 C ATOM 911 CG GLU A 57 -8.417 10.567 -15.659 1.00 0.00 C ATOM 912 CD GLU A 57 -8.762 11.165 -17.035 1.00 0.00 C ATOM 913 OE1 GLU A 57 -7.965 11.979 -17.565 1.00 0.00 O ATOM 914 OE2 GLU A 57 -9.834 10.828 -17.596 1.00 0.00 O ATOM 0 H GLU A 57 -5.513 7.918 -15.567 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.858 9.603 -13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.491 9.822 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.795 8.667 -16.464 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.322 10.188 -15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.018 11.345 -15.008 1.00 0.00 H new ATOM 921 N TYR A 58 -8.821 8.392 -12.841 1.00 0.00 N ATOM 922 CA TYR A 58 -9.979 7.774 -12.212 1.00 0.00 C ATOM 923 C TYR A 58 -11.146 8.776 -12.251 1.00 0.00 C ATOM 924 O TYR A 58 -11.350 9.585 -11.344 1.00 0.00 O ATOM 925 CB TYR A 58 -9.560 7.277 -10.813 1.00 0.00 C ATOM 926 CG TYR A 58 -10.658 6.829 -9.870 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.893 6.376 -10.371 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.419 6.813 -8.480 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.884 5.924 -9.489 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.422 6.383 -7.591 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.664 5.953 -8.100 1.00 0.00 C ATOM 932 OH TYR A 58 -13.661 5.563 -7.271 1.00 0.00 O ATOM 0 H TYR A 58 -8.526 9.242 -12.361 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.341 6.891 -12.739 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.870 6.444 -10.945 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.004 8.077 -10.325 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.077 6.377 -11.435 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.461 7.132 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.820 5.552 -9.877 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.241 6.383 -6.526 1.00 0.00 H new ATOM 0 HH TYR A 58 -14.214 4.889 -7.719 1.00 0.00 H new ATOM 942 N CYS A 59 -11.885 8.757 -13.367 1.00 0.00 N ATOM 943 CA CYS A 59 -13.104 9.544 -13.559 1.00 0.00 C ATOM 944 C CYS A 59 -14.338 8.761 -13.088 1.00 0.00 C ATOM 945 O CYS A 59 -14.430 7.549 -13.306 1.00 0.00 O ATOM 946 CB CYS A 59 -13.221 9.898 -15.049 1.00 0.00 C ATOM 947 SG CYS A 59 -14.535 11.129 -15.317 1.00 0.00 S ATOM 0 H CYS A 59 -11.646 8.183 -14.175 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.052 10.456 -12.965 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.270 10.289 -15.411 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.436 8.998 -15.626 1.00 0.00 H new ATOM 0 HG CYS A 59 -15.623 10.738 -14.723 1.00 0.00 H new ATOM 953 N LEU A 60 -15.322 9.457 -12.519 1.00 0.00 N ATOM 954 CA LEU A 60 -16.617 8.890 -12.124 1.00 0.00 C ATOM 955 C LEU A 60 -17.766 9.363 -13.019 1.00 0.00 C ATOM 956 O LEU A 60 -17.658 10.356 -13.738 1.00 0.00 O ATOM 957 CB LEU A 60 -16.909 9.250 -10.653 1.00 0.00 C ATOM 958 CG LEU A 60 -17.053 8.057 -9.696 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.860 7.121 -9.666 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.251 8.558 -8.268 1.00 0.00 C ATOM 0 H LEU A 60 -15.242 10.453 -12.314 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.550 7.808 -12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.107 9.891 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.827 9.836 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.910 7.500 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -16.052 6.310 -8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.696 6.708 -10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.973 7.672 -9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.352 7.707 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.390 9.156 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.152 9.169 -8.219 1.00 0.00 H new ATOM 972 N GLU A 61 -18.890 8.648 -12.939 1.00 0.00 N ATOM 973 CA GLU A 61 -20.080 8.887 -13.776 1.00 0.00 C ATOM 974 C GLU A 61 -20.815 10.202 -13.446 1.00 0.00 C ATOM 975 O GLU A 61 -21.544 10.737 -14.283 1.00 0.00 O ATOM 976 CB GLU A 61 -21.038 7.691 -13.655 1.00 0.00 C ATOM 977 CG GLU A 61 -20.418 6.366 -14.115 1.00 0.00 C ATOM 978 CD GLU A 61 -21.477 5.251 -14.178 1.00 0.00 C ATOM 979 OE1 GLU A 61 -21.763 4.613 -13.136 1.00 0.00 O ATOM 980 OE2 GLU A 61 -22.028 5.001 -15.279 1.00 0.00 O ATOM 0 H GLU A 61 -19.006 7.875 -12.284 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.731 8.991 -14.803 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.357 7.594 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.932 7.890 -14.246 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.963 6.495 -15.097 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -19.621 6.077 -13.430 1.00 0.00 H new ATOM 987 N ASP A 62 -20.599 10.754 -12.245 1.00 0.00 N ATOM 988 CA ASP A 62 -21.067 12.091 -11.845 1.00 0.00 C ATOM 989 C ASP A 62 -20.218 13.224 -12.460 1.00 0.00 C ATOM 990 O ASP A 62 -20.717 14.335 -12.658 1.00 0.00 O ATOM 991 CB ASP A 62 -21.045 12.183 -10.311 1.00 0.00 C ATOM 992 CG ASP A 62 -21.512 13.553 -9.790 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.729 13.848 -9.869 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.669 14.324 -9.271 1.00 0.00 O ATOM 0 H ASP A 62 -20.083 10.275 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.081 12.223 -12.222 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.684 11.404 -9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.033 11.989 -9.954 1.00 0.00 H new ATOM 999 N GLY A 63 -18.945 12.948 -12.776 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.991 13.910 -13.352 1.00 0.00 C ATOM 1001 C GLY A 63 -16.815 14.253 -12.427 1.00 0.00 C ATOM 1002 O GLY A 63 -15.932 15.022 -12.815 1.00 0.00 O ATOM 0 H GLY A 63 -18.538 12.024 -12.634 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.600 13.504 -14.285 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.523 14.828 -13.602 1.00 0.00 H new ATOM 1006 N SER A 64 -16.789 13.698 -11.211 1.00 0.00 N ATOM 1007 CA SER A 64 -15.651 13.756 -10.284 1.00 0.00 C ATOM 1008 C SER A 64 -14.402 13.100 -10.893 1.00 0.00 C ATOM 1009 O SER A 64 -14.490 12.137 -11.660 1.00 0.00 O ATOM 1010 CB SER A 64 -16.017 13.120 -8.928 1.00 0.00 C ATOM 1011 OG SER A 64 -17.085 12.188 -9.027 1.00 0.00 O ATOM 0 H SER A 64 -17.582 13.180 -10.832 1.00 0.00 H new ATOM 0 HA SER A 64 -15.413 14.805 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.140 12.618 -8.519 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.291 13.907 -8.225 1.00 0.00 H new ATOM 0 HG SER A 64 -17.486 12.055 -8.143 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.227 13.630 -10.541 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.930 13.263 -11.117 1.00 0.00 C ATOM 1019 C LEU A 65 -10.883 13.077 -10.015 1.00 0.00 C ATOM 1020 O LEU A 65 -10.724 13.921 -9.129 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.477 14.360 -12.101 1.00 0.00 C ATOM 1022 CG LEU A 65 -12.120 14.295 -13.497 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.821 15.586 -14.263 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.551 13.135 -14.319 1.00 0.00 C ATOM 0 H LEU A 65 -13.150 14.351 -9.823 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.034 12.318 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.698 15.333 -11.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.395 14.300 -12.214 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.192 14.155 -13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.278 15.537 -15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.229 16.436 -13.717 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.743 15.706 -14.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.026 13.117 -15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.476 13.267 -14.439 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.746 12.194 -13.804 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.175 11.950 -10.088 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.224 11.452 -9.089 1.00 0.00 C ATOM 1038 C ILE A 66 -7.995 10.907 -9.841 1.00 0.00 C ATOM 1039 O ILE A 66 -8.102 10.470 -10.991 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.907 10.367 -8.203 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.259 10.832 -7.596 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.964 9.926 -7.063 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.136 9.704 -7.037 1.00 0.00 C ATOM 0 H ILE A 66 -10.253 11.324 -10.889 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.901 12.247 -8.417 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.118 9.528 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.056 11.545 -6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.822 11.364 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.458 9.168 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.049 9.512 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.718 10.787 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.058 10.125 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.376 9.000 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.598 9.184 -6.244 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.814 10.946 -9.213 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.536 10.509 -9.803 1.00 0.00 C ATOM 1057 C ARG A 67 -4.741 9.684 -8.788 1.00 0.00 C ATOM 1058 O ARG A 67 -4.212 10.224 -7.814 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.757 11.732 -10.329 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.488 12.396 -11.509 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.636 13.465 -12.205 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.157 13.751 -13.561 1.00 0.00 N ATOM 1063 CZ ARG A 67 -6.055 14.654 -13.917 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -6.587 15.488 -13.069 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -6.444 14.735 -15.158 1.00 0.00 N ATOM 0 H ARG A 67 -6.714 11.290 -8.258 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.722 9.858 -10.657 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.627 12.456 -9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.760 11.423 -10.644 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.769 11.632 -12.234 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.412 12.850 -11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.634 14.379 -11.611 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.602 13.126 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.775 13.180 -14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.314 15.460 -12.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.277 16.169 -13.388 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.056 14.101 -15.857 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.137 15.432 -15.431 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.698 8.369 -9.007 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.118 7.381 -8.093 1.00 0.00 C ATOM 1081 C ALA A 68 -3.391 6.259 -8.849 1.00 0.00 C ATOM 1082 O ALA A 68 -3.541 6.099 -10.064 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.246 6.809 -7.217 1.00 0.00 C ATOM 0 H ALA A 68 -5.079 7.947 -9.854 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.370 7.870 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.834 6.071 -6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.710 7.615 -6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.995 6.335 -7.852 1.00 0.00 H new ATOM 1089 N THR A 69 -2.596 5.472 -8.122 1.00 0.00 N ATOM 1090 CA THR A 69 -1.907 4.293 -8.673 1.00 0.00 C ATOM 1091 C THR A 69 -2.769 3.032 -8.624 1.00 0.00 C ATOM 1092 O THR A 69 -3.669 2.890 -7.795 1.00 0.00 O ATOM 1093 CB THR A 69 -0.590 4.007 -7.947 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.781 3.791 -6.568 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.401 5.147 -8.088 1.00 0.00 C ATOM 0 H THR A 69 -2.408 5.631 -7.132 1.00 0.00 H new ATOM 0 HA THR A 69 -1.704 4.543 -9.714 1.00 0.00 H new ATOM 0 HB THR A 69 -0.197 3.107 -8.419 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.468 2.893 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.320 4.898 -7.557 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.624 5.307 -9.143 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.028 6.056 -7.666 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.442 2.067 -9.492 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.124 0.758 -9.583 1.00 0.00 C ATOM 1105 C LYS A 70 -2.830 -0.217 -8.433 1.00 0.00 C ATOM 1106 O LYS A 70 -3.467 -1.266 -8.349 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.855 0.137 -10.970 1.00 0.00 C ATOM 1108 CG LYS A 70 -4.039 0.304 -11.936 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.560 1.737 -12.094 1.00 0.00 C ATOM 1110 CE LYS A 70 -5.742 1.738 -13.076 1.00 0.00 C ATOM 1111 NZ LYS A 70 -6.820 2.688 -12.665 1.00 0.00 N ATOM 0 H LYS A 70 -1.683 2.170 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.190 0.954 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.969 0.600 -11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.635 -0.924 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.741 -0.067 -12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.859 -0.327 -11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.874 2.131 -11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.766 2.387 -12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.385 2.005 -14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.155 0.732 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.447 2.873 -13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.372 2.272 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.393 3.581 -12.346 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.927 0.141 -7.521 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.658 -0.604 -6.285 1.00 0.00 C ATOM 1127 C ASP A 71 -2.516 -0.114 -5.100 1.00 0.00 C ATOM 1128 O ASP A 71 -2.613 -0.807 -4.086 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.172 -0.470 -5.935 1.00 0.00 C ATOM 1130 CG ASP A 71 0.736 -1.161 -6.962 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.856 -2.411 -6.918 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.345 -0.462 -7.808 1.00 0.00 O ATOM 0 H ASP A 71 -1.348 0.975 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.921 -1.647 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.090 0.586 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.006 -0.900 -4.949 1.00 0.00 H new ATOM 1137 N HIS A 72 -3.134 1.072 -5.205 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.934 1.655 -4.132 1.00 0.00 C ATOM 1139 C HIS A 72 -5.316 0.995 -4.051 1.00 0.00 C ATOM 1140 O HIS A 72 -6.020 0.866 -5.060 1.00 0.00 O ATOM 1141 CB HIS A 72 -4.083 3.162 -4.382 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.467 3.958 -3.156 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.293 3.597 -2.112 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.951 5.178 -2.829 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.226 4.547 -1.169 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.424 5.543 -1.566 1.00 0.00 N ATOM 0 H HIS A 72 -3.089 1.652 -6.043 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.428 1.484 -3.182 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.142 3.549 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.837 3.318 -5.154 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.859 2.750 -2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.286 5.765 -3.445 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.745 4.514 -0.223 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.718 0.605 -2.836 1.00 0.00 N ATOM 1155 CA LYS A 73 -7.034 0.017 -2.551 1.00 0.00 C ATOM 1156 C LYS A 73 -8.056 1.096 -2.201 1.00 0.00 C ATOM 1157 O LYS A 73 -7.704 2.159 -1.691 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.894 -1.027 -1.428 1.00 0.00 C ATOM 1159 CG LYS A 73 -6.053 -2.232 -1.886 1.00 0.00 C ATOM 1160 CD LYS A 73 -5.373 -2.944 -0.713 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.405 -4.001 -1.259 1.00 0.00 C ATOM 1162 NZ LYS A 73 -5.069 -5.314 -1.500 1.00 0.00 N ATOM 0 H LYS A 73 -5.128 0.690 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.405 -0.484 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.429 -0.566 -0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.883 -1.367 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.692 -2.938 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.295 -1.896 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.834 -2.224 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.121 -3.414 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.968 -3.642 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.585 -4.136 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.372 -5.993 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.463 -5.673 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.835 -5.194 -2.193 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.331 0.818 -2.437 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.429 1.743 -2.146 1.00 0.00 C ATOM 1178 C PHE A 74 -11.621 0.987 -1.550 1.00 0.00 C ATOM 1179 O PHE A 74 -11.891 -0.156 -1.920 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.828 2.493 -3.424 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.859 3.562 -3.903 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.756 3.232 -4.719 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.089 4.910 -3.561 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.898 4.243 -5.188 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.232 5.920 -4.034 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.135 5.586 -4.847 1.00 0.00 C ATOM 0 H PHE A 74 -9.640 -0.066 -2.841 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.098 2.474 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.957 1.764 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.799 2.960 -3.259 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.570 2.202 -4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.928 5.169 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.055 3.987 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.417 6.952 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.475 6.360 -5.209 1.00 0.00 H new ATOM 1196 N MET A 75 -12.321 1.621 -0.604 1.00 0.00 N ATOM 1197 CA MET A 75 -13.452 1.031 0.117 1.00 0.00 C ATOM 1198 C MET A 75 -14.693 0.963 -0.789 1.00 0.00 C ATOM 1199 O MET A 75 -15.358 1.974 -1.043 1.00 0.00 O ATOM 1200 CB MET A 75 -13.714 1.860 1.379 1.00 0.00 C ATOM 1201 CG MET A 75 -14.899 1.348 2.208 1.00 0.00 C ATOM 1202 SD MET A 75 -15.378 2.434 3.580 1.00 0.00 S ATOM 1203 CE MET A 75 -14.353 1.763 4.912 1.00 0.00 C ATOM 0 H MET A 75 -12.113 2.576 -0.313 1.00 0.00 H new ATOM 0 HA MET A 75 -13.218 0.008 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.818 1.857 1.999 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.900 2.895 1.093 1.00 0.00 H new ATOM 0 HG2 MET A 75 -15.757 1.215 1.549 1.00 0.00 H new ATOM 0 HG3 MET A 75 -14.649 0.365 2.608 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.533 2.326 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.607 0.715 5.074 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.301 1.843 4.637 1.00 0.00 H new ATOM 1213 N THR A 76 -15.010 -0.235 -1.279 1.00 0.00 N ATOM 1214 CA THR A 76 -16.226 -0.472 -2.075 1.00 0.00 C ATOM 1215 C THR A 76 -17.493 -0.343 -1.233 1.00 0.00 C ATOM 1216 O THR A 76 -17.439 -0.285 -0.002 1.00 0.00 O ATOM 1217 CB THR A 76 -16.219 -1.835 -2.774 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.173 -2.882 -1.830 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.040 -1.945 -3.732 1.00 0.00 C ATOM 0 H THR A 76 -14.438 -1.068 -1.140 1.00 0.00 H new ATOM 0 HA THR A 76 -16.227 0.304 -2.841 1.00 0.00 H new ATOM 0 HB THR A 76 -17.143 -1.922 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.171 -3.744 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.055 -2.921 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.111 -1.163 -4.488 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.109 -1.830 -3.178 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.658 -0.355 -1.884 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.967 -0.383 -1.206 1.00 0.00 C ATOM 1229 C VAL A 77 -20.172 -1.559 -0.238 1.00 0.00 C ATOM 1230 O VAL A 77 -20.953 -1.442 0.706 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.132 -0.342 -2.208 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.238 1.057 -2.810 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.015 -1.381 -3.331 1.00 0.00 C ATOM 0 H VAL A 77 -18.726 -0.346 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.963 0.523 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.033 -0.593 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -22.064 1.086 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.417 1.782 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.309 1.303 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.872 -1.293 -3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.097 -1.208 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -20.993 -2.382 -2.900 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.460 -2.676 -0.436 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.466 -3.833 0.476 1.00 0.00 C ATOM 1245 C ASP A 78 -18.351 -3.775 1.542 1.00 0.00 C ATOM 1246 O ASP A 78 -18.307 -4.617 2.443 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.352 -5.124 -0.349 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.588 -5.364 -1.232 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.705 -5.531 -0.687 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.438 -5.422 -2.478 1.00 0.00 O ATOM 0 H ASP A 78 -18.854 -2.806 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.408 -3.813 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.463 -5.073 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.219 -5.972 0.323 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.447 -2.790 1.457 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.338 -2.589 2.395 1.00 0.00 C ATOM 1257 C GLY A 79 -15.105 -3.447 2.088 1.00 0.00 C ATOM 1258 O GLY A 79 -14.323 -3.744 2.993 1.00 0.00 O ATOM 0 H GLY A 79 -17.469 -2.093 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.050 -1.538 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.683 -2.813 3.404 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.935 -3.876 0.833 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.797 -4.691 0.389 1.00 0.00 C ATOM 1264 C GLN A 80 -12.629 -3.795 -0.057 1.00 0.00 C ATOM 1265 O GLN A 80 -12.771 -3.001 -0.986 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.231 -5.610 -0.764 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.383 -6.558 -0.393 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.634 -7.595 -1.488 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.829 -8.485 -1.737 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.750 -7.534 -2.188 1.00 0.00 N ATOM 0 H GLN A 80 -15.594 -3.664 0.084 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.459 -5.303 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.535 -4.997 -1.612 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.375 -6.201 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -15.150 -7.066 0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -16.291 -5.979 -0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.433 -6.801 -1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.930 -8.220 -2.921 1.00 0.00 H new ATOM 1279 N MET A 81 -11.468 -3.928 0.593 1.00 0.00 N ATOM 1280 CA MET A 81 -10.240 -3.180 0.265 1.00 0.00 C ATOM 1281 C MET A 81 -9.495 -3.805 -0.929 1.00 0.00 C ATOM 1282 O MET A 81 -8.526 -4.553 -0.759 1.00 0.00 O ATOM 1283 CB MET A 81 -9.324 -3.040 1.499 1.00 0.00 C ATOM 1284 CG MET A 81 -10.054 -2.539 2.750 1.00 0.00 C ATOM 1285 SD MET A 81 -11.088 -1.062 2.538 1.00 0.00 S ATOM 1286 CE MET A 81 -12.110 -1.290 4.013 1.00 0.00 C ATOM 0 H MET A 81 -11.349 -4.569 1.377 1.00 0.00 H new ATOM 0 HA MET A 81 -10.539 -2.176 -0.036 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.870 -4.007 1.716 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.512 -2.353 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.683 -3.346 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 81 -9.311 -2.329 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 81 -13.109 -1.610 3.717 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.660 -2.049 4.653 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.177 -0.349 4.558 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.953 -3.513 -2.150 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.412 -4.065 -3.404 1.00 0.00 C ATOM 1298 C LEU A 82 -8.736 -2.965 -4.241 1.00 0.00 C ATOM 1299 O LEU A 82 -9.187 -1.815 -4.194 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.551 -4.706 -4.225 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.429 -5.726 -3.476 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.544 -6.227 -4.393 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.637 -6.936 -2.979 1.00 0.00 C ATOM 0 H LEU A 82 -10.730 -2.870 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.667 -4.820 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.194 -3.910 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.114 -5.200 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.837 -5.206 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.160 -6.948 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.161 -5.386 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.107 -6.705 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.307 -7.621 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.183 -7.447 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.856 -6.604 -2.295 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.672 -3.286 -5.006 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.980 -2.307 -5.842 1.00 0.00 C ATOM 1317 C PRO A 83 -7.887 -1.808 -6.965 1.00 0.00 C ATOM 1318 O PRO A 83 -8.685 -2.569 -7.516 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.748 -3.020 -6.405 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.172 -4.488 -6.404 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.071 -4.602 -5.176 1.00 0.00 C ATOM 0 HA PRO A 83 -6.695 -1.428 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.503 -2.671 -7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.867 -2.854 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.706 -4.752 -7.317 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.312 -5.154 -6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.835 -5.366 -5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.496 -4.887 -4.295 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.731 -0.544 -7.359 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.537 0.056 -8.432 1.00 0.00 C ATOM 1331 C ILE A 84 -8.439 -0.675 -9.793 1.00 0.00 C ATOM 1332 O ILE A 84 -9.389 -0.656 -10.576 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.234 1.563 -8.508 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.258 2.233 -9.436 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.775 1.817 -8.922 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.313 3.753 -9.326 1.00 0.00 C ATOM 0 H ILE A 84 -7.048 0.093 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.588 -0.072 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.336 2.015 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.026 1.964 -10.466 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.247 1.830 -9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.591 2.890 -8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.105 1.365 -8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.593 1.376 -9.902 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.062 4.141 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.578 4.035 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.338 4.171 -9.576 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.338 -1.391 -10.044 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.172 -2.307 -11.186 1.00 0.00 C ATOM 1350 C ASP A 85 -8.266 -3.389 -11.254 1.00 0.00 C ATOM 1351 O ASP A 85 -8.695 -3.783 -12.342 1.00 0.00 O ATOM 1352 CB ASP A 85 -5.806 -3.003 -11.090 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.419 -3.674 -12.419 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.283 -2.963 -13.443 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.220 -4.914 -12.439 1.00 0.00 O ATOM 0 H ASP A 85 -6.514 -1.351 -9.445 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.247 -1.700 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.044 -2.274 -10.814 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.833 -3.751 -10.298 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.737 -3.853 -10.091 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.843 -4.809 -9.979 1.00 0.00 C ATOM 1362 C GLU A 86 -11.192 -4.091 -10.132 1.00 0.00 C ATOM 1363 O GLU A 86 -12.070 -4.578 -10.840 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.770 -5.533 -8.619 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.534 -6.869 -8.567 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.758 -8.025 -9.227 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -8.701 -8.444 -8.695 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.238 -8.565 -10.253 1.00 0.00 O ATOM 0 H GLU A 86 -8.355 -3.571 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.756 -5.545 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.724 -5.717 -8.375 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.166 -4.872 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.742 -7.123 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.496 -6.752 -9.065 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.357 -2.903 -9.527 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.631 -2.169 -9.490 1.00 0.00 C ATOM 1377 C ILE A 87 -13.129 -1.835 -10.903 1.00 0.00 C ATOM 1378 O ILE A 87 -14.329 -1.908 -11.169 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.476 -0.902 -8.613 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.038 -1.316 -7.187 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.774 -0.080 -8.556 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.819 -0.156 -6.214 1.00 0.00 C ATOM 0 H ILE A 87 -10.599 -2.420 -9.044 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.393 -2.806 -9.040 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.714 -0.267 -9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.794 -1.982 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.113 -1.889 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.621 0.799 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.050 0.234 -9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.573 -0.690 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.515 -0.548 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.040 0.501 -6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.746 0.406 -6.104 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.214 -1.526 -11.827 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.551 -1.236 -13.226 1.00 0.00 C ATOM 1396 C PHE A 88 -13.105 -2.446 -14.006 1.00 0.00 C ATOM 1397 O PHE A 88 -14.008 -2.285 -14.830 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.316 -0.653 -13.922 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.589 -0.139 -15.325 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.345 1.035 -15.532 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.105 -0.857 -16.435 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.579 1.505 -16.839 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.340 -0.387 -17.741 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.071 0.798 -17.943 1.00 0.00 C ATOM 0 H PHE A 88 -11.216 -1.470 -11.626 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.365 -0.511 -13.218 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.920 0.163 -13.317 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.542 -1.419 -13.970 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.745 1.574 -14.686 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.551 -1.772 -16.284 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.149 2.409 -16.993 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.959 -0.937 -18.589 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.242 1.164 -18.945 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.615 -3.662 -13.734 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.102 -4.894 -14.381 1.00 0.00 C ATOM 1416 C GLU A 89 -14.335 -5.483 -13.679 1.00 0.00 C ATOM 1417 O GLU A 89 -15.239 -5.999 -14.344 1.00 0.00 O ATOM 1418 CB GLU A 89 -11.995 -5.961 -14.429 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.910 -5.628 -15.461 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.044 -6.865 -15.771 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.080 -7.153 -15.020 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.318 -7.563 -16.779 1.00 0.00 O ATOM 0 H GLU A 89 -11.868 -3.823 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.392 -4.611 -15.393 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.539 -6.053 -13.443 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.436 -6.929 -14.668 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.374 -5.266 -16.378 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.279 -4.823 -15.084 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.398 -5.380 -12.346 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.558 -5.785 -11.534 1.00 0.00 C ATOM 1431 C ARG A 90 -16.738 -4.810 -11.645 1.00 0.00 C ATOM 1432 O ARG A 90 -17.857 -5.182 -11.290 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.143 -5.927 -10.059 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.024 -6.939 -9.772 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.423 -8.384 -10.038 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.415 -9.338 -9.536 1.00 0.00 N ATOM 1437 CZ ARG A 90 -13.646 -10.531 -9.011 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -14.846 -11.040 -8.924 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -12.662 -11.252 -8.556 1.00 0.00 N ATOM 0 H ARG A 90 -13.630 -5.006 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.896 -6.744 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.825 -4.950 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.022 -6.212 -9.480 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.157 -6.692 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.717 -6.842 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.383 -8.588 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.559 -8.531 -11.109 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.439 -9.048 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.649 -10.514 -9.268 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.980 -11.963 -8.512 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.706 -10.898 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.847 -12.170 -8.153 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.504 -3.580 -12.125 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.486 -2.482 -12.166 1.00 0.00 C ATOM 1455 C GLU A 91 -18.108 -2.175 -10.780 1.00 0.00 C ATOM 1456 O GLU A 91 -19.289 -1.831 -10.671 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.531 -2.719 -13.277 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.905 -2.950 -14.661 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.988 -3.022 -15.753 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.565 -4.116 -15.977 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.268 -1.983 -16.400 1.00 0.00 O ATOM 0 H GLU A 91 -15.598 -3.311 -12.508 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.950 -1.570 -12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.142 -3.583 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.199 -1.859 -13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.208 -2.143 -14.888 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.329 -3.876 -14.654 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.320 -2.339 -9.708 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.757 -2.087 -8.325 1.00 0.00 C ATOM 1470 C LEU A 92 -17.820 -0.583 -8.008 1.00 0.00 C ATOM 1471 O LEU A 92 -16.975 0.204 -8.437 1.00 0.00 O ATOM 1472 CB LEU A 92 -16.823 -2.808 -7.331 1.00 0.00 C ATOM 1473 CG LEU A 92 -17.019 -4.333 -7.312 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -15.864 -5.011 -6.571 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -18.324 -4.753 -6.633 1.00 0.00 C ATOM 0 H LEU A 92 -16.352 -2.653 -9.776 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.767 -2.485 -8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.788 -2.585 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -16.995 -2.414 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.052 -4.646 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.018 -6.090 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.924 -4.781 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.826 -4.646 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.409 -5.840 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.326 -4.404 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.168 -4.315 -7.165 1.00 0.00 H new ATOM 1487 N ASP A 93 -18.814 -0.190 -7.212 1.00 0.00 N ATOM 1488 CA ASP A 93 -18.988 1.188 -6.744 1.00 0.00 C ATOM 1489 C ASP A 93 -18.213 1.426 -5.432 1.00 0.00 C ATOM 1490 O ASP A 93 -18.105 0.521 -4.598 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.481 1.458 -6.503 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.392 1.021 -7.666 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.359 1.651 -8.748 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.173 0.054 -7.484 1.00 0.00 O ATOM 0 H ASP A 93 -19.532 -0.828 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.600 1.864 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -20.792 0.939 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.623 2.524 -6.324 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.712 2.650 -5.204 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.170 3.040 -3.890 1.00 0.00 C ATOM 1501 C LEU A 94 -18.265 3.507 -2.922 1.00 0.00 C ATOM 1502 O LEU A 94 -19.315 4.001 -3.341 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.095 4.137 -4.010 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.793 3.744 -4.732 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.707 4.746 -4.328 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.278 2.341 -4.414 1.00 0.00 C ATOM 0 H LEU A 94 -17.670 3.386 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.710 2.139 -3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.532 4.988 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -15.840 4.476 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.020 3.754 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.772 4.490 -4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.012 5.751 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.564 4.711 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.358 2.157 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.079 2.260 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.029 1.604 -4.700 1.00 0.00 H new ATOM 1518 N MET A 95 -17.978 3.422 -1.622 1.00 0.00 N ATOM 1519 CA MET A 95 -18.782 4.018 -0.546 1.00 0.00 C ATOM 1520 C MET A 95 -18.335 5.467 -0.245 1.00 0.00 C ATOM 1521 O MET A 95 -17.207 5.851 -0.563 1.00 0.00 O ATOM 1522 CB MET A 95 -18.660 3.102 0.683 1.00 0.00 C ATOM 1523 CG MET A 95 -19.693 3.402 1.778 1.00 0.00 C ATOM 1524 SD MET A 95 -20.264 1.949 2.711 1.00 0.00 S ATOM 1525 CE MET A 95 -18.692 1.276 3.314 1.00 0.00 C ATOM 0 H MET A 95 -17.158 2.924 -1.276 1.00 0.00 H new ATOM 0 HA MET A 95 -19.828 4.091 -0.845 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.770 2.065 0.365 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.659 3.202 1.102 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.262 4.118 2.477 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.557 3.884 1.320 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.878 0.351 3.859 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.035 1.073 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.217 1.999 3.977 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.219 6.274 0.370 1.00 0.00 N ATOM 1536 CA ARG A 96 -18.976 7.696 0.719 1.00 0.00 C ATOM 1537 C ARG A 96 -19.459 8.056 2.135 1.00 0.00 C ATOM 1538 O ARG A 96 -20.257 7.327 2.728 1.00 0.00 O ATOM 1539 CB ARG A 96 -19.617 8.662 -0.307 1.00 0.00 C ATOM 1540 CG ARG A 96 -19.294 8.379 -1.783 1.00 0.00 C ATOM 1541 CD ARG A 96 -20.374 7.503 -2.440 1.00 0.00 C ATOM 1542 NE ARG A 96 -19.838 6.750 -3.582 1.00 0.00 N ATOM 1543 CZ ARG A 96 -19.667 7.154 -4.822 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -19.981 8.350 -5.223 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -19.162 6.321 -5.683 1.00 0.00 N ATOM 0 H ARG A 96 -20.146 5.952 0.647 1.00 0.00 H new ATOM 0 HA ARG A 96 -17.893 7.818 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.699 8.632 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -19.296 9.677 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -19.209 9.321 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -18.327 7.881 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -20.778 6.809 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -21.200 8.131 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 96 -19.562 5.787 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -20.378 9.021 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -19.830 8.618 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -18.908 5.377 -5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -19.020 6.611 -6.650 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.021 9.213 2.642 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.402 9.751 3.973 1.00 0.00 C ATOM 1561 C VAL A 97 -20.671 10.614 3.966 1.00 0.00 C ATOM 1562 O VAL A 97 -21.323 10.753 5.000 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.260 10.558 4.631 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.090 9.657 5.040 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -17.708 11.705 3.785 1.00 0.00 C ATOM 0 H VAL A 97 -18.378 9.822 2.136 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.611 8.857 4.561 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.734 11.000 5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.308 10.262 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.438 8.911 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -16.691 9.156 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -16.912 12.210 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.311 11.309 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.507 12.415 3.569 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.058 11.172 2.812 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.151 12.159 2.692 1.00 0.00 C ATOM 1577 C ASP A 98 -23.465 11.546 2.157 1.00 0.00 C ATOM 1578 O ASP A 98 -24.383 12.257 1.743 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.654 13.323 1.821 1.00 0.00 C ATOM 1580 CG ASP A 98 -22.535 14.582 1.929 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -22.820 15.034 3.066 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -22.904 15.163 0.878 1.00 0.00 O ATOM 0 H ASP A 98 -20.617 10.951 1.919 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.406 12.526 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.634 13.575 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.619 13.000 0.780 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.542 10.208 2.142 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.652 9.404 1.590 1.00 0.00 C ATOM 1589 C ASN A 99 -24.898 9.689 0.100 1.00 0.00 C ATOM 1590 O ASN A 99 -26.012 9.571 -0.419 1.00 0.00 O ATOM 1591 CB ASN A 99 -25.891 9.492 2.509 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.474 9.442 3.967 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -25.734 10.345 4.754 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -24.682 8.456 4.324 1.00 0.00 N ATOM 0 H ASN A 99 -22.800 9.626 2.531 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.370 8.351 1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.433 10.417 2.311 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -26.572 8.670 2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.279 8.439 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.470 7.708 3.664 1.00 0.00 H new ATOM 1601 N LEU A 100 -23.806 10.067 -0.571 1.00 0.00 N ATOM 1602 CA LEU A 100 -23.743 10.258 -2.028 1.00 0.00 C ATOM 1603 C LEU A 100 -24.141 8.977 -2.805 1.00 0.00 C ATOM 1604 O LEU A 100 -23.964 7.866 -2.291 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.324 10.723 -2.406 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.082 12.224 -2.183 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.579 12.491 -2.146 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -22.689 13.072 -3.301 1.00 0.00 C ATOM 0 H LEU A 100 -22.917 10.254 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.468 11.021 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.599 10.157 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.142 10.487 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.557 12.497 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.402 13.555 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.129 11.923 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.132 12.186 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -22.495 14.126 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -22.240 12.792 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -23.765 12.903 -3.343 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.642 9.110 -4.049 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.100 7.983 -4.864 1.00 0.00 C ATOM 1622 C PRO A 101 -23.926 7.086 -5.278 1.00 0.00 C ATOM 1623 O PRO A 101 -22.843 7.571 -5.607 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.796 8.614 -6.075 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.107 9.968 -6.225 1.00 0.00 C ATOM 1626 CD PRO A 101 -24.781 10.357 -4.784 1.00 0.00 C ATOM 0 HA PRO A 101 -25.780 7.332 -4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.676 8.003 -6.969 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -26.867 8.726 -5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.207 9.896 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -25.758 10.700 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -23.862 10.941 -4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -25.573 10.974 -4.359 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.133 5.768 -5.262 1.00 0.00 N ATOM 1635 CA ASN A 102 -23.077 4.791 -5.536 1.00 0.00 C ATOM 1636 C ASN A 102 -22.838 4.646 -7.052 1.00 0.00 C ATOM 1637 O ASN A 102 -23.752 4.283 -7.799 1.00 0.00 O ATOM 1638 CB ASN A 102 -23.449 3.456 -4.871 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.733 3.609 -3.384 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.851 3.420 -2.921 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.752 3.990 -2.594 1.00 0.00 N ATOM 0 H ASN A 102 -25.039 5.347 -5.058 1.00 0.00 H new ATOM 0 HA ASN A 102 -22.134 5.136 -5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -24.327 3.039 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.636 2.744 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.923 4.127 -1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.820 4.148 -2.978 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.605 4.928 -7.490 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.156 4.889 -8.894 1.00 0.00 C ATOM 1650 C ILE A 103 -19.721 4.364 -9.012 1.00 0.00 C ATOM 1651 O ILE A 103 -18.912 4.505 -8.087 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.309 6.266 -9.593 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.772 7.419 -8.721 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.776 6.498 -9.995 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.757 8.781 -9.413 1.00 0.00 C ATOM 0 H ILE A 103 -20.858 5.202 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.810 4.189 -9.415 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.702 6.253 -10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.381 7.490 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.758 7.176 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.870 7.467 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -23.094 5.713 -10.681 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.405 6.478 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.365 9.533 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.124 8.732 -10.299 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.771 9.051 -9.706 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.412 3.779 -10.174 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.122 3.154 -10.510 1.00 0.00 C ATOM 1669 C LYS A 104 -17.312 4.011 -11.490 1.00 0.00 C ATOM 1670 O LYS A 104 -17.730 5.103 -11.879 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.360 1.688 -10.951 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.182 1.434 -12.231 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.387 1.630 -13.529 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.137 1.039 -14.729 1.00 0.00 C ATOM 1675 NZ LYS A 104 -18.288 1.019 -15.950 1.00 0.00 N ATOM 0 H LYS A 104 -20.081 3.724 -10.942 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.485 3.107 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.385 1.218 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.855 1.170 -10.130 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.571 0.416 -12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.042 2.104 -12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.210 2.693 -13.694 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.410 1.155 -13.436 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -19.460 0.025 -14.493 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -20.037 1.624 -14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -18.614 1.752 -16.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -17.299 1.204 -15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.357 0.087 -16.406 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.129 3.529 -11.865 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.207 4.223 -12.779 1.00 0.00 C ATOM 1691 C ILE A 105 -15.842 4.355 -14.177 1.00 0.00 C ATOM 1692 O ILE A 105 -16.084 3.363 -14.869 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.870 3.453 -12.865 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.189 3.223 -11.497 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.890 4.188 -13.797 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.336 1.961 -11.476 1.00 0.00 C ATOM 0 H ILE A 105 -15.773 2.630 -11.540 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.011 5.223 -12.392 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.122 2.470 -13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.565 4.084 -11.256 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.952 3.155 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.952 3.635 -13.848 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.323 4.262 -14.795 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.700 5.189 -13.409 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.880 1.846 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.962 1.095 -11.689 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.554 2.038 -12.232 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.111 5.589 -14.591 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.709 5.926 -15.886 1.00 0.00 C ATOM 1710 C ALA A 106 -15.743 5.682 -17.056 1.00 0.00 C ATOM 1711 O ALA A 106 -16.137 5.157 -18.103 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.117 7.403 -15.855 1.00 0.00 C ATOM 0 H ALA A 106 -15.914 6.411 -14.019 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.573 5.281 -16.046 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.565 7.677 -16.810 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.840 7.564 -15.055 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.236 8.020 -15.677 1.00 0.00 H new ATOM 1718 N THR A 107 -14.474 6.044 -16.856 1.00 0.00 N ATOM 1719 CA THR A 107 -13.394 5.942 -17.853 1.00 0.00 C ATOM 1720 C THR A 107 -12.025 5.909 -17.176 1.00 0.00 C ATOM 1721 O THR A 107 -11.855 6.397 -16.052 1.00 0.00 O ATOM 1722 CB THR A 107 -13.399 7.107 -18.878 1.00 0.00 C ATOM 1723 OG1 THR A 107 -14.331 8.133 -18.584 1.00 0.00 O ATOM 1724 CG2 THR A 107 -13.718 6.591 -20.282 1.00 0.00 C ATOM 0 H THR A 107 -14.154 6.430 -15.968 1.00 0.00 H new ATOM 0 HA THR A 107 -13.580 5.011 -18.389 1.00 0.00 H new ATOM 0 HB THR A 107 -12.396 7.530 -18.820 1.00 0.00 H new ATOM 0 HG1 THR A 107 -14.276 8.831 -19.270 1.00 0.00 H new ATOM 0 HG21 THR A 107 -13.716 7.424 -20.985 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.965 5.862 -20.582 1.00 0.00 H new ATOM 0 HG23 THR A 107 -14.700 6.119 -20.282 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.035 5.368 -17.897 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.637 5.230 -17.460 1.00 0.00 C ATOM 1734 C ARG A 108 -8.679 5.605 -18.595 1.00 0.00 C ATOM 1735 O ARG A 108 -8.927 5.277 -19.759 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.409 3.774 -17.005 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.044 3.580 -16.317 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.640 2.109 -16.188 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.334 1.504 -17.499 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.086 0.230 -17.754 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -7.120 -0.690 -16.831 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -6.788 -0.148 -18.965 1.00 0.00 N ATOM 0 H ARG A 108 -11.190 5.000 -18.836 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.439 5.907 -16.629 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.204 3.482 -16.318 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.475 3.112 -17.868 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.280 4.112 -16.883 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.077 4.030 -15.325 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.768 2.028 -15.539 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.446 1.552 -15.711 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.311 2.139 -18.297 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.345 -0.439 -15.868 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.922 -1.661 -17.072 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.746 0.539 -19.718 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.597 -1.131 -19.160 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.557 6.236 -18.237 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.402 6.493 -19.116 1.00 0.00 C ATOM 1758 C LYS A 109 -5.121 6.549 -18.275 1.00 0.00 C ATOM 1759 O LYS A 109 -5.113 7.190 -17.224 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.639 7.823 -19.867 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.697 8.035 -21.068 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.051 7.190 -22.308 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.334 7.639 -23.030 1.00 0.00 C ATOM 1764 NZ LYS A 109 -7.149 8.920 -23.770 1.00 0.00 N ATOM 0 H LYS A 109 -7.418 6.597 -17.293 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.289 5.692 -19.846 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.671 7.853 -20.217 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.515 8.651 -19.169 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.712 9.089 -21.345 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.678 7.800 -20.761 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.219 7.230 -23.011 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.163 6.149 -22.005 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.647 6.862 -23.727 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.136 7.756 -22.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.039 9.181 -24.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.876 9.670 -23.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.402 8.804 -24.484 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.044 5.893 -18.705 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.722 6.058 -18.080 1.00 0.00 C ATOM 1780 C TYR A 110 -2.226 7.504 -18.250 1.00 0.00 C ATOM 1781 O TYR A 110 -2.143 8.004 -19.378 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.721 5.060 -18.683 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.316 5.153 -18.107 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.123 5.173 -16.712 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.806 5.224 -18.960 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.170 5.267 -16.172 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.107 5.294 -18.423 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.293 5.313 -17.022 1.00 0.00 C ATOM 1789 OH TYR A 110 3.546 5.384 -16.495 1.00 0.00 O ATOM 0 H TYR A 110 -4.056 5.238 -19.487 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.809 5.853 -17.013 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.097 4.049 -18.529 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.670 5.221 -19.760 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.976 5.116 -16.052 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.667 5.225 -20.031 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.304 5.304 -15.101 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.962 5.333 -19.082 1.00 0.00 H new ATOM 0 HH TYR A 110 4.205 5.407 -17.220 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.913 8.188 -17.143 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.458 9.585 -17.167 1.00 0.00 C ATOM 1801 C LEU A 111 0.065 9.682 -17.284 1.00 0.00 C ATOM 1802 O LEU A 111 0.583 10.506 -18.042 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.894 10.283 -15.870 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.410 10.440 -15.734 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.760 10.723 -14.279 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.946 11.579 -16.601 1.00 0.00 C ATOM 0 H LEU A 111 -1.968 7.790 -16.206 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.904 10.066 -18.038 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.519 9.715 -15.019 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.430 11.268 -15.825 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.870 9.511 -16.070 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.840 10.835 -14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.422 9.895 -13.656 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.269 11.642 -13.959 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.026 11.656 -16.474 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.478 12.516 -16.300 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.717 11.378 -17.648 1.00 0.00 H new ATOM 1818 N GLY A 112 0.774 8.855 -16.512 1.00 0.00 N ATOM 1819 CA GLY A 112 2.232 8.859 -16.422 1.00 0.00 C ATOM 1820 C GLY A 112 2.747 8.445 -15.040 1.00 0.00 C ATOM 1821 O GLY A 112 2.116 7.661 -14.331 1.00 0.00 O ATOM 0 H GLY A 112 0.338 8.149 -15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.639 8.182 -17.173 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.602 9.857 -16.658 1.00 0.00 H new ATOM 1825 N LYS A 113 3.890 9.005 -14.634 1.00 0.00 N ATOM 1826 CA LYS A 113 4.673 8.580 -13.456 1.00 0.00 C ATOM 1827 C LYS A 113 4.965 9.737 -12.500 1.00 0.00 C ATOM 1828 O LYS A 113 6.078 10.247 -12.368 1.00 0.00 O ATOM 1829 CB LYS A 113 5.928 7.852 -13.929 1.00 0.00 C ATOM 1830 CG LYS A 113 6.482 6.973 -12.796 1.00 0.00 C ATOM 1831 CD LYS A 113 7.861 6.387 -13.119 1.00 0.00 C ATOM 1832 CE LYS A 113 7.776 5.344 -14.238 1.00 0.00 C ATOM 1833 NZ LYS A 113 9.119 4.809 -14.580 1.00 0.00 N ATOM 0 H LYS A 113 4.314 9.791 -15.127 1.00 0.00 H new ATOM 0 HA LYS A 113 4.080 7.883 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.696 7.236 -14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.682 8.574 -14.242 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.548 7.564 -11.883 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.784 6.160 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.538 7.188 -13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.282 5.929 -12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.125 4.527 -13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.325 5.793 -15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.029 4.105 -15.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.732 5.587 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.538 4.360 -13.741 1.00 0.00 H new ATOM 1847 N GLN A 114 3.884 10.197 -11.897 1.00 0.00 N ATOM 1848 CA GLN A 114 3.779 11.421 -11.105 1.00 0.00 C ATOM 1849 C GLN A 114 4.188 11.161 -9.654 1.00 0.00 C ATOM 1850 O GLN A 114 4.116 10.033 -9.157 1.00 0.00 O ATOM 1851 CB GLN A 114 2.342 11.965 -11.184 1.00 0.00 C ATOM 1852 CG GLN A 114 1.875 11.802 -12.632 1.00 0.00 C ATOM 1853 CD GLN A 114 0.652 12.558 -13.055 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.058 13.221 -12.309 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.403 12.456 -14.334 1.00 0.00 N ATOM 0 H GLN A 114 2.996 9.698 -11.947 1.00 0.00 H new ATOM 0 HA GLN A 114 4.460 12.169 -11.512 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.687 11.420 -10.505 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.310 13.013 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.696 12.098 -13.285 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.693 10.742 -12.809 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.013 11.896 -14.929 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.402 12.936 -14.737 1.00 0.00 H new ATOM 1864 N ASN A 115 4.573 12.217 -8.945 1.00 0.00 N ATOM 1865 CA ASN A 115 4.779 12.176 -7.517 1.00 0.00 C ATOM 1866 C ASN A 115 3.464 11.852 -6.793 1.00 0.00 C ATOM 1867 O ASN A 115 2.496 12.612 -6.889 1.00 0.00 O ATOM 1868 CB ASN A 115 5.395 13.514 -7.064 1.00 0.00 C ATOM 1869 CG ASN A 115 6.455 13.272 -6.017 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.583 13.741 -6.107 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.153 12.470 -5.025 1.00 0.00 N ATOM 0 H ASN A 115 4.751 13.132 -9.359 1.00 0.00 H new ATOM 0 HA ASN A 115 5.476 11.379 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.830 14.031 -7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.617 14.163 -6.661 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.858 12.235 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.213 12.081 -4.952 1.00 0.00 H new ATOM 1878 N VAL A 116 3.446 10.740 -6.050 1.00 0.00 N ATOM 1879 CA VAL A 116 2.292 10.340 -5.234 1.00 0.00 C ATOM 1880 C VAL A 116 2.670 10.163 -3.761 1.00 0.00 C ATOM 1881 O VAL A 116 3.810 9.830 -3.425 1.00 0.00 O ATOM 1882 CB VAL A 116 1.569 9.113 -5.825 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.890 9.439 -7.156 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.483 7.906 -6.067 1.00 0.00 C ATOM 0 H VAL A 116 4.231 10.091 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 116 1.571 11.157 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 116 0.835 8.851 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.392 8.548 -7.538 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.154 10.229 -7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.639 9.773 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.899 7.085 -6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.272 8.182 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.929 7.592 -5.123 1.00 0.00 H new ATOM 1894 N TYR A 117 1.696 10.408 -2.885 1.00 0.00 N ATOM 1895 CA TYR A 117 1.849 10.536 -1.436 1.00 0.00 C ATOM 1896 C TYR A 117 0.695 9.867 -0.666 1.00 0.00 C ATOM 1897 O TYR A 117 -0.406 9.680 -1.194 1.00 0.00 O ATOM 1898 CB TYR A 117 1.870 12.031 -1.087 1.00 0.00 C ATOM 1899 CG TYR A 117 2.751 12.915 -1.951 1.00 0.00 C ATOM 1900 CD1 TYR A 117 4.097 13.139 -1.603 1.00 0.00 C ATOM 1901 CD2 TYR A 117 2.200 13.548 -3.083 1.00 0.00 C ATOM 1902 CE1 TYR A 117 4.878 14.034 -2.357 1.00 0.00 C ATOM 1903 CE2 TYR A 117 2.981 14.439 -3.844 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.315 14.708 -3.463 1.00 0.00 C ATOM 1905 OH TYR A 117 5.058 15.614 -4.154 1.00 0.00 O ATOM 0 H TYR A 117 0.728 10.529 -3.183 1.00 0.00 H new ATOM 0 HA TYR A 117 2.774 10.038 -1.146 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.849 12.409 -1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.193 12.135 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.530 12.624 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.177 13.349 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.910 14.206 -2.089 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.561 14.916 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 117 4.523 15.986 -4.886 1.00 0.00 H new ATOM 1915 N ASP A 118 0.944 9.524 0.596 1.00 0.00 N ATOM 1916 CA ASP A 118 0.010 8.855 1.505 1.00 0.00 C ATOM 1917 C ASP A 118 0.323 9.209 2.981 1.00 0.00 C ATOM 1918 O ASP A 118 1.383 9.757 3.290 1.00 0.00 O ATOM 1919 CB ASP A 118 0.078 7.342 1.226 1.00 0.00 C ATOM 1920 CG ASP A 118 -0.770 6.516 2.205 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -1.958 6.868 2.399 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -0.226 5.557 2.806 1.00 0.00 O ATOM 0 H ASP A 118 1.845 9.713 1.035 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.010 9.198 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.261 7.150 0.208 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.115 7.013 1.284 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.581 8.893 3.910 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.429 9.112 5.357 1.00 0.00 C ATOM 1929 C ILE A 119 -0.934 7.903 6.162 1.00 0.00 C ATOM 1930 O ILE A 119 -1.906 7.241 5.786 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.136 10.410 5.820 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.621 10.479 5.391 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.356 11.649 5.345 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.388 11.637 6.037 1.00 0.00 C ATOM 0 H ILE A 119 -1.474 8.461 3.671 1.00 0.00 H new ATOM 0 HA ILE A 119 0.637 9.228 5.550 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.140 10.396 6.910 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.674 10.578 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.110 9.540 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.868 12.551 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.651 11.627 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.298 11.647 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.422 11.626 5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.366 11.528 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.923 12.582 5.758 1.00 0.00 H new ATOM 1946 N GLY A 120 -0.277 7.623 7.293 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.654 6.541 8.209 1.00 0.00 C ATOM 1948 C GLY A 120 -1.544 7.018 9.358 1.00 0.00 C ATOM 1949 O GLY A 120 -1.550 8.199 9.703 1.00 0.00 O ATOM 0 H GLY A 120 0.541 8.148 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.176 5.764 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.248 6.088 8.619 1.00 0.00 H new ATOM 1953 N VAL A 121 -2.253 6.079 9.990 1.00 0.00 N ATOM 1954 CA VAL A 121 -3.160 6.290 11.138 1.00 0.00 C ATOM 1955 C VAL A 121 -3.156 5.060 12.060 1.00 0.00 C ATOM 1956 O VAL A 121 -2.914 3.936 11.614 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.607 6.600 10.678 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.750 8.045 10.190 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -5.113 5.674 9.562 1.00 0.00 C ATOM 0 H VAL A 121 -2.213 5.100 9.706 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.790 7.155 11.689 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.214 6.433 11.568 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.779 8.223 9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.494 8.729 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.079 8.212 9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.132 5.952 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.468 5.771 8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.099 4.642 9.911 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.507 3.481 6.454 1.00 0.00 N ATOM 2038 CA ASN A 126 -8.218 4.260 5.436 1.00 0.00 C ATOM 2039 C ASN A 126 -8.565 5.692 5.914 1.00 0.00 C ATOM 2040 O ASN A 126 -8.351 6.046 7.075 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.464 3.456 4.996 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.444 3.196 6.125 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -11.383 4.089 6.332 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -10.386 2.188 6.816 1.00 0.00 N flip ATOM 0 HA ASN A 126 -7.566 4.412 4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.974 3.998 4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.142 2.502 4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.654 1.497 6.650 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.070 2.038 7.558 1.00 0.00 H new ATOM 2051 N PHE A 127 -9.091 6.529 5.011 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.483 7.928 5.284 1.00 0.00 C ATOM 2053 C PHE A 127 -10.414 8.485 4.191 1.00 0.00 C ATOM 2054 O PHE A 127 -10.531 7.894 3.114 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.234 8.821 5.416 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.235 8.686 4.279 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.451 9.340 3.049 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -6.100 7.870 4.449 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.542 9.162 1.989 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -5.195 7.696 3.389 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.415 8.339 2.159 1.00 0.00 C ATOM 0 H PHE A 127 -9.262 6.251 4.045 1.00 0.00 H new ATOM 0 HA PHE A 127 -10.032 7.934 6.226 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.553 9.861 5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.731 8.583 6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.313 9.977 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.925 7.378 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.710 9.658 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.327 7.066 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.719 8.201 1.345 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.058 9.630 4.452 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.037 10.240 3.555 1.00 0.00 C ATOM 2073 C ALA A 128 -11.430 11.345 2.663 1.00 0.00 C ATOM 2074 O ALA A 128 -10.622 12.163 3.113 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.192 10.788 4.403 1.00 0.00 C ATOM 0 H ALA A 128 -10.908 10.164 5.308 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.399 9.475 2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.935 11.248 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.653 9.972 4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.810 11.533 5.101 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.860 11.387 1.399 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.515 12.407 0.400 1.00 0.00 C ATOM 2083 C LEU A 129 -12.532 13.569 0.389 1.00 0.00 C ATOM 2084 O LEU A 129 -13.602 13.476 0.996 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.425 11.746 -0.992 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.461 10.542 -1.115 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.428 10.005 -2.554 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.039 10.881 -0.682 1.00 0.00 C ATOM 0 H LEU A 129 -12.489 10.677 1.024 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.548 12.835 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.423 11.417 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.119 12.505 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.850 9.778 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.743 9.159 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.428 9.682 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.090 10.792 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.406 10.000 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.650 11.685 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.042 11.201 0.360 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.215 14.649 -0.341 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.020 15.887 -0.450 1.00 0.00 C ATOM 2102 C LYS A 130 -14.515 15.673 -0.712 1.00 0.00 C ATOM 2103 O LYS A 130 -15.350 16.155 0.054 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.386 16.788 -1.531 1.00 0.00 C ATOM 2105 CG LYS A 130 -13.289 17.962 -1.957 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.587 18.986 -2.858 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.268 18.417 -4.246 1.00 0.00 C ATOM 2108 NZ LYS A 130 -11.716 19.471 -5.139 1.00 0.00 N ATOM 0 H LYS A 130 -11.359 14.691 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 130 -12.994 16.368 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.442 17.183 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.153 16.183 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -14.160 17.567 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.656 18.468 -1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -13.220 19.867 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.663 19.314 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -11.551 17.602 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.172 17.997 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -11.461 19.051 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.431 20.212 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.870 19.888 -4.702 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.847 14.989 -1.812 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.244 14.757 -2.208 1.00 0.00 C ATOM 2124 C ASN A 131 -16.950 13.832 -1.206 1.00 0.00 C ATOM 2125 O ASN A 131 -18.104 14.066 -0.844 1.00 0.00 O ATOM 2126 CB ASN A 131 -16.284 14.166 -3.630 1.00 0.00 C ATOM 2127 CG ASN A 131 -16.422 15.238 -4.698 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -17.510 15.531 -5.178 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -15.340 15.867 -5.098 1.00 0.00 N ATOM 0 H ASN A 131 -14.163 14.583 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.777 15.708 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -15.374 13.594 -3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -17.119 13.469 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.407 16.597 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.433 15.625 -4.700 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.228 12.813 -0.735 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.660 11.920 0.339 1.00 0.00 C ATOM 2138 C GLY A 132 -16.166 10.475 0.228 1.00 0.00 C ATOM 2139 O GLY A 132 -16.474 9.682 1.112 1.00 0.00 O ATOM 0 H GLY A 132 -15.304 12.581 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -16.320 12.331 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.750 11.913 0.367 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.445 10.112 -0.840 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.925 8.756 -1.080 1.00 0.00 C ATOM 2145 C PHE A 133 -13.985 8.284 0.041 1.00 0.00 C ATOM 2146 O PHE A 133 -13.403 9.116 0.738 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.163 8.734 -2.416 1.00 0.00 C ATOM 2148 CG PHE A 133 -14.846 9.459 -3.559 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.067 8.978 -4.064 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.280 10.633 -4.095 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -16.718 9.675 -5.096 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -14.926 11.315 -5.140 1.00 0.00 C ATOM 2153 CZ PHE A 133 -16.152 10.842 -5.633 1.00 0.00 C ATOM 0 H PHE A 133 -15.200 10.768 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.778 8.077 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.179 9.177 -2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -14.004 7.696 -2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.503 8.076 -3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.347 11.010 -3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -17.660 9.310 -5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.479 12.202 -5.564 1.00 0.00 H new ATOM 0 HZ PHE A 133 -16.659 11.375 -6.424 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.753 6.973 0.163 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.804 6.404 1.134 1.00 0.00 C ATOM 2165 C ILE A 134 -11.747 5.560 0.409 1.00 0.00 C ATOM 2166 O ILE A 134 -12.063 4.661 -0.375 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.520 5.624 2.265 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.465 6.495 3.128 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.497 4.954 3.201 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.895 6.554 2.582 1.00 0.00 C ATOM 0 H ILE A 134 -14.219 6.270 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.288 7.227 1.630 1.00 0.00 H new ATOM 0 HB ILE A 134 -14.129 4.880 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.486 6.100 4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.063 7.507 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -13.023 4.412 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.882 4.258 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.860 5.717 3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.507 7.180 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.884 6.976 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.313 5.548 2.548 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.481 5.841 0.717 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.293 5.203 0.143 1.00 0.00 C ATOM 2184 C ALA A 135 -8.490 4.493 1.250 1.00 0.00 C ATOM 2185 O ALA A 135 -8.465 4.969 2.388 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.472 6.287 -0.567 1.00 0.00 C ATOM 0 H ALA A 135 -10.243 6.554 1.407 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.569 4.439 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.580 5.839 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.073 6.742 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.179 7.051 0.153 1.00 0.00 H new ATOM 2192 N SER A 136 -7.854 3.356 0.940 1.00 0.00 N ATOM 2193 CA SER A 136 -7.221 2.456 1.924 1.00 0.00 C ATOM 2194 C SER A 136 -5.837 1.934 1.496 1.00 0.00 C ATOM 2195 O SER A 136 -5.584 1.727 0.308 1.00 0.00 O ATOM 2196 CB SER A 136 -8.167 1.274 2.185 1.00 0.00 C ATOM 2197 OG SER A 136 -7.677 0.425 3.207 1.00 0.00 O ATOM 0 H SER A 136 -7.761 3.026 -0.020 1.00 0.00 H new ATOM 0 HA SER A 136 -7.051 3.039 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 136 -9.151 1.651 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.295 0.701 1.267 1.00 0.00 H new ATOM 0 HG SER A 136 -8.349 -0.257 3.416 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.961 1.683 2.485 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.534 1.338 2.312 1.00 0.00 C ATOM 2205 C ASN A 137 -2.827 2.152 1.192 1.00 0.00 C ATOM 2206 O ASN A 137 -2.789 3.396 1.331 1.00 0.00 O ATOM 2207 CB ASN A 137 -3.387 -0.194 2.161 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.935 -0.669 2.181 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -1.119 -0.243 2.992 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -1.563 -1.587 1.315 1.00 0.00 N ATOM 0 H ASN A 137 -5.236 1.716 3.467 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.000 1.638 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -3.933 -0.685 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.851 -0.506 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -0.605 -1.937 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.233 -1.949 0.636 1.00 0.00 H new