USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 931 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -110:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 1.01 (180deg=0.995) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.0711 USER MOD Single : A 14 MET CE :methyl -172:sc= -4.38! (180deg=-5.23!) USER MOD Single : A 15 MET CE :methyl -138:sc= -0.137 (180deg=-2.94!) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0687 (180deg=-0.702) USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= -0.854 (180deg=-1.22) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0568 (180deg=-0.397) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.17 F(o=-1.7,f=-1.2) USER MOD Single : A 25 THR OG1 : rot 27:sc= 0.0119 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.189) USER MOD Single : A 34 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) USER MOD Single : A 37 SER OG : rot 23:sc= 0.253 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc=-0.00604 (180deg=-0.174) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 0.0256 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 44:sc= 0.342 USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0363) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 140:sc= -0.0983 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00793) USER MOD Single : A 92 GLN : amide:sc= -0.0383 K(o=-0.038,f=-2.5!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0741 X(o=-0.074,f=0) USER MOD Single : A 100 SER OG : rot 83:sc= 0.95 USER MOD Single : A 101 THR OG1 : rot 71:sc= 0.974 USER MOD Single : A 103 HIS : no HE2:sc= -3.02 X(o=-3,f=-3!) USER MOD Single : A 106 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.106) USER MOD Single : A 109 SER OG : rot -102:sc= 0.0233 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.281 14.574 8.221 1.00 0.00 N ATOM 2 CA GLY A 1 -16.332 14.165 9.133 1.00 0.00 C ATOM 3 C GLY A 1 -16.240 12.697 9.502 1.00 0.00 C ATOM 4 O GLY A 1 -16.010 12.355 10.662 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.387 15.585 7.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.354 14.413 8.664 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.347 14.019 7.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.278 14.768 10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.302 14.362 8.676 1.00 0.00 H new ATOM 8 N SER A 2 -16.422 11.827 8.514 1.00 0.00 N ATOM 9 CA SER A 2 -16.364 10.388 8.742 1.00 0.00 C ATOM 10 C SER A 2 -16.149 9.639 7.430 1.00 0.00 C ATOM 11 O SER A 2 -16.536 10.112 6.362 1.00 0.00 O ATOM 12 CB SER A 2 -17.650 9.905 9.413 1.00 0.00 C ATOM 13 OG SER A 2 -17.751 8.492 9.364 1.00 0.00 O ATOM 0 H SER A 2 -16.611 12.094 7.548 1.00 0.00 H new ATOM 0 HA SER A 2 -15.520 10.183 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.670 10.238 10.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.512 10.352 8.918 1.00 0.00 H new ATOM 0 HG SER A 2 -18.581 8.208 9.801 1.00 0.00 H new ATOM 19 N SER A 3 -15.528 8.467 7.520 1.00 0.00 N ATOM 20 CA SER A 3 -15.257 7.653 6.341 1.00 0.00 C ATOM 21 C SER A 3 -16.196 6.452 6.283 1.00 0.00 C ATOM 22 O SER A 3 -16.399 5.760 7.279 1.00 0.00 O ATOM 23 CB SER A 3 -13.802 7.178 6.347 1.00 0.00 C ATOM 24 OG SER A 3 -13.615 6.120 7.271 1.00 0.00 O ATOM 0 H SER A 3 -15.203 8.060 8.397 1.00 0.00 H new ATOM 0 HA SER A 3 -15.427 8.268 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.520 6.846 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.146 8.010 6.604 1.00 0.00 H new ATOM 0 HG SER A 3 -12.678 5.833 7.255 1.00 0.00 H new ATOM 30 N GLY A 4 -16.766 6.211 5.106 1.00 0.00 N ATOM 31 CA GLY A 4 -17.677 5.094 4.938 1.00 0.00 C ATOM 32 C GLY A 4 -18.121 4.920 3.499 1.00 0.00 C ATOM 33 O GLY A 4 -18.113 3.808 2.971 1.00 0.00 O ATOM 0 H GLY A 4 -16.613 6.769 4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.192 4.179 5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.553 5.245 5.570 1.00 0.00 H new ATOM 37 N SER A 5 -18.511 6.020 2.864 1.00 0.00 N ATOM 38 CA SER A 5 -18.966 5.983 1.479 1.00 0.00 C ATOM 39 C SER A 5 -17.785 6.064 0.517 1.00 0.00 C ATOM 40 O SER A 5 -16.716 6.562 0.870 1.00 0.00 O ATOM 41 CB SER A 5 -19.939 7.132 1.209 1.00 0.00 C ATOM 42 OG SER A 5 -19.351 8.382 1.525 1.00 0.00 O ATOM 0 H SER A 5 -18.521 6.948 3.286 1.00 0.00 H new ATOM 0 HA SER A 5 -19.480 5.036 1.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.237 7.121 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.844 6.993 1.800 1.00 0.00 H new ATOM 0 HG SER A 5 -19.992 9.101 1.342 1.00 0.00 H new ATOM 48 N SER A 6 -17.987 5.570 -0.700 1.00 0.00 N ATOM 49 CA SER A 6 -16.938 5.582 -1.713 1.00 0.00 C ATOM 50 C SER A 6 -16.293 6.962 -1.811 1.00 0.00 C ATOM 51 O SER A 6 -16.980 7.972 -1.951 1.00 0.00 O ATOM 52 CB SER A 6 -17.509 5.177 -3.074 1.00 0.00 C ATOM 53 OG SER A 6 -16.487 4.710 -3.937 1.00 0.00 O ATOM 0 H SER A 6 -18.867 5.157 -1.009 1.00 0.00 H new ATOM 0 HA SER A 6 -16.174 4.862 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.260 4.398 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.012 6.030 -3.529 1.00 0.00 H new ATOM 0 HG SER A 6 -16.878 4.456 -4.799 1.00 0.00 H new ATOM 59 N GLY A 7 -14.966 6.994 -1.735 1.00 0.00 N ATOM 60 CA GLY A 7 -14.249 8.253 -1.816 1.00 0.00 C ATOM 61 C GLY A 7 -12.907 8.203 -1.114 1.00 0.00 C ATOM 62 O GLY A 7 -12.832 7.895 0.076 1.00 0.00 O ATOM 0 H GLY A 7 -14.375 6.171 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.098 8.515 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.857 9.043 -1.375 1.00 0.00 H new ATOM 66 N VAL A 8 -11.843 8.504 -1.852 1.00 0.00 N ATOM 67 CA VAL A 8 -10.496 8.491 -1.292 1.00 0.00 C ATOM 68 C VAL A 8 -10.504 8.923 0.169 1.00 0.00 C ATOM 69 O VAL A 8 -11.043 9.976 0.514 1.00 0.00 O ATOM 70 CB VAL A 8 -9.551 9.413 -2.084 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.234 10.735 -2.400 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.260 9.642 -1.312 1.00 0.00 C ATOM 0 H VAL A 8 -11.887 8.760 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.134 7.465 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.303 8.926 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.550 11.373 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.128 10.550 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.514 11.231 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.604 10.296 -1.886 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.487 10.108 -0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.763 8.687 -1.143 1.00 0.00 H new ATOM 82 N LEU A 9 -9.902 8.105 1.026 1.00 0.00 N ATOM 83 CA LEU A 9 -9.839 8.403 2.452 1.00 0.00 C ATOM 84 C LEU A 9 -8.631 9.278 2.773 1.00 0.00 C ATOM 85 O LEU A 9 -8.745 10.275 3.486 1.00 0.00 O ATOM 86 CB LEU A 9 -9.772 7.107 3.262 1.00 0.00 C ATOM 87 CG LEU A 9 -10.715 5.988 2.816 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.325 4.670 3.468 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.157 6.343 3.148 1.00 0.00 C ATOM 0 H LEU A 9 -9.451 7.230 0.758 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.743 8.948 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.750 6.730 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.986 7.342 4.305 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.629 5.875 1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.007 3.886 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.306 4.409 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.382 4.769 4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.814 5.536 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.259 6.484 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.433 7.264 2.634 1.00 0.00 H new ATOM 101 N LYS A 10 -7.475 8.900 2.239 1.00 0.00 N ATOM 102 CA LYS A 10 -6.246 9.652 2.464 1.00 0.00 C ATOM 103 C LYS A 10 -5.563 9.987 1.142 1.00 0.00 C ATOM 104 O LYS A 10 -5.738 9.284 0.148 1.00 0.00 O ATOM 105 CB LYS A 10 -5.291 8.853 3.355 1.00 0.00 C ATOM 106 CG LYS A 10 -4.409 9.722 4.234 1.00 0.00 C ATOM 107 CD LYS A 10 -3.365 8.896 4.966 1.00 0.00 C ATOM 108 CE LYS A 10 -2.616 9.729 5.996 1.00 0.00 C ATOM 109 NZ LYS A 10 -1.877 10.857 5.365 1.00 0.00 N ATOM 0 H LYS A 10 -7.363 8.077 1.647 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.507 10.584 2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.873 8.183 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.658 8.227 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.914 10.476 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.026 10.254 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.848 8.053 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.658 8.482 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.322 10.121 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.915 9.093 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.339 11.370 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.222 10.485 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.553 11.505 4.913 1.00 0.00 H new ATOM 123 N GLN A 11 -4.785 11.065 1.140 1.00 0.00 N ATOM 124 CA GLN A 11 -4.076 11.492 -0.060 1.00 0.00 C ATOM 125 C GLN A 11 -2.882 12.371 0.296 1.00 0.00 C ATOM 126 O GLN A 11 -3.008 13.325 1.063 1.00 0.00 O ATOM 127 CB GLN A 11 -5.021 12.249 -0.994 1.00 0.00 C ATOM 128 CG GLN A 11 -5.653 13.476 -0.356 1.00 0.00 C ATOM 129 CD GLN A 11 -6.866 13.972 -1.119 1.00 0.00 C ATOM 130 OE1 GLN A 11 -7.936 14.173 -0.544 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.705 14.171 -2.422 1.00 0.00 N ATOM 0 H GLN A 11 -4.630 11.658 1.955 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.709 10.602 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.471 12.555 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.811 11.574 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.944 13.239 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.912 14.274 -0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.800 13.991 -2.857 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.486 14.503 -2.987 1.00 0.00 H new ATOM 140 N GLY A 12 -1.722 12.043 -0.266 1.00 0.00 N ATOM 141 CA GLY A 12 -0.522 12.813 0.006 1.00 0.00 C ATOM 142 C GLY A 12 0.672 12.325 -0.790 1.00 0.00 C ATOM 143 O GLY A 12 0.636 11.242 -1.375 1.00 0.00 O ATOM 0 H GLY A 12 -1.592 11.258 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.706 13.862 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.292 12.759 1.070 1.00 0.00 H new ATOM 147 N TYR A 13 1.731 13.125 -0.815 1.00 0.00 N ATOM 148 CA TYR A 13 2.940 12.771 -1.549 1.00 0.00 C ATOM 149 C TYR A 13 3.807 11.811 -0.740 1.00 0.00 C ATOM 150 O TYR A 13 4.309 12.160 0.328 1.00 0.00 O ATOM 151 CB TYR A 13 3.739 14.029 -1.894 1.00 0.00 C ATOM 152 CG TYR A 13 3.317 14.676 -3.194 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.378 13.978 -4.393 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.856 15.987 -3.222 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.994 14.566 -5.583 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.469 16.583 -4.407 1.00 0.00 C ATOM 157 CZ TYR A 13 2.540 15.868 -5.584 1.00 0.00 C ATOM 158 OH TYR A 13 2.155 16.457 -6.767 1.00 0.00 O ATOM 0 H TYR A 13 1.777 14.024 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 13 2.642 12.273 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.630 14.752 -1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.797 13.773 -1.952 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.732 12.958 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.799 16.549 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.049 14.009 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.113 17.603 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 13 1.860 17.375 -6.594 1.00 0.00 H new ATOM 168 N MET A 14 3.977 10.599 -1.258 1.00 0.00 N ATOM 169 CA MET A 14 4.784 9.587 -0.586 1.00 0.00 C ATOM 170 C MET A 14 5.839 9.017 -1.529 1.00 0.00 C ATOM 171 O MET A 14 5.639 8.973 -2.743 1.00 0.00 O ATOM 172 CB MET A 14 3.894 8.461 -0.058 1.00 0.00 C ATOM 173 CG MET A 14 3.095 8.846 1.177 1.00 0.00 C ATOM 174 SD MET A 14 2.371 7.419 2.009 1.00 0.00 S ATOM 175 CE MET A 14 1.250 6.823 0.745 1.00 0.00 C ATOM 0 H MET A 14 3.567 10.294 -2.141 1.00 0.00 H new ATOM 0 HA MET A 14 5.292 10.063 0.253 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.205 8.154 -0.845 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.516 7.597 0.176 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.744 9.377 1.874 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.301 9.536 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.625 6.031 1.157 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.618 7.643 0.403 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.824 6.433 -0.095 1.00 0.00 H new ATOM 185 N MET A 15 6.960 8.584 -0.964 1.00 0.00 N ATOM 186 CA MET A 15 8.045 8.016 -1.756 1.00 0.00 C ATOM 187 C MET A 15 7.905 6.501 -1.863 1.00 0.00 C ATOM 188 O MET A 15 8.057 5.782 -0.875 1.00 0.00 O ATOM 189 CB MET A 15 9.398 8.373 -1.136 1.00 0.00 C ATOM 190 CG MET A 15 9.650 9.869 -1.046 1.00 0.00 C ATOM 191 SD MET A 15 11.401 10.271 -0.898 1.00 0.00 S ATOM 192 CE MET A 15 11.839 10.517 -2.618 1.00 0.00 C ATOM 0 H MET A 15 7.142 8.615 0.039 1.00 0.00 H new ATOM 0 HA MET A 15 7.990 8.439 -2.759 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.455 7.943 -0.136 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.191 7.914 -1.726 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.243 10.356 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 15 9.115 10.273 -0.187 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.805 10.053 -2.817 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.080 10.063 -3.255 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.899 11.585 -2.829 1.00 0.00 H new ATOM 202 N LYS A 16 7.615 6.022 -3.068 1.00 0.00 N ATOM 203 CA LYS A 16 7.455 4.592 -3.305 1.00 0.00 C ATOM 204 C LYS A 16 8.697 4.009 -3.971 1.00 0.00 C ATOM 205 O LYS A 16 9.241 4.589 -4.911 1.00 0.00 O ATOM 206 CB LYS A 16 6.226 4.333 -4.179 1.00 0.00 C ATOM 207 CG LYS A 16 5.983 2.862 -4.467 1.00 0.00 C ATOM 208 CD LYS A 16 6.696 2.417 -5.734 1.00 0.00 C ATOM 209 CE LYS A 16 5.817 2.599 -6.961 1.00 0.00 C ATOM 210 NZ LYS A 16 5.986 3.948 -7.570 1.00 0.00 N ATOM 0 H LYS A 16 7.486 6.603 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 16 7.317 4.103 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.347 4.748 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.344 4.865 -5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.329 2.263 -3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.913 2.682 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.615 2.990 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.983 1.369 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.061 1.834 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.773 2.454 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.687 3.919 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.403 4.637 -7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.985 4.230 -7.516 1.00 0.00 H new ATOM 224 N LYS A 17 9.142 2.858 -3.478 1.00 0.00 N ATOM 225 CA LYS A 17 10.318 2.194 -4.027 1.00 0.00 C ATOM 226 C LYS A 17 9.925 1.210 -5.124 1.00 0.00 C ATOM 227 O LYS A 17 9.526 0.080 -4.845 1.00 0.00 O ATOM 228 CB LYS A 17 11.079 1.461 -2.919 1.00 0.00 C ATOM 229 CG LYS A 17 12.575 1.374 -3.165 1.00 0.00 C ATOM 230 CD LYS A 17 13.296 0.730 -1.992 1.00 0.00 C ATOM 231 CE LYS A 17 14.795 0.651 -2.234 1.00 0.00 C ATOM 232 NZ LYS A 17 15.126 -0.240 -3.380 1.00 0.00 N ATOM 0 H LYS A 17 8.705 2.366 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 17 10.965 2.956 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.904 1.970 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.676 0.453 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.763 0.797 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.975 2.373 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.103 1.304 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.900 -0.272 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.185 1.650 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.289 0.284 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.143 -0.457 -3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.582 -1.123 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.884 0.237 -4.272 1.00 0.00 H new ATOM 246 N GLY A 18 10.042 1.646 -6.375 1.00 0.00 N ATOM 247 CA GLY A 18 9.697 0.791 -7.495 1.00 0.00 C ATOM 248 C GLY A 18 10.535 -0.471 -7.541 1.00 0.00 C ATOM 249 O GLY A 18 11.729 -0.443 -7.242 1.00 0.00 O ATOM 0 H GLY A 18 10.370 2.577 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.643 0.521 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.828 1.345 -8.425 1.00 0.00 H new ATOM 253 N HIS A 19 9.909 -1.582 -7.915 1.00 0.00 N ATOM 254 CA HIS A 19 10.605 -2.861 -7.997 1.00 0.00 C ATOM 255 C HIS A 19 12.013 -2.678 -8.556 1.00 0.00 C ATOM 256 O HIS A 19 13.001 -2.966 -7.881 1.00 0.00 O ATOM 257 CB HIS A 19 9.820 -3.838 -8.873 1.00 0.00 C ATOM 258 CG HIS A 19 10.145 -5.276 -8.607 1.00 0.00 C ATOM 259 ND1 HIS A 19 9.486 -6.035 -7.664 1.00 0.00 N ATOM 260 CD2 HIS A 19 11.066 -6.093 -9.169 1.00 0.00 C ATOM 261 CE1 HIS A 19 9.988 -7.257 -7.656 1.00 0.00 C ATOM 262 NE2 HIS A 19 10.948 -7.319 -8.561 1.00 0.00 N ATOM 0 H HIS A 19 8.921 -1.623 -8.166 1.00 0.00 H new ATOM 0 HA HIS A 19 10.682 -3.269 -6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.753 -3.680 -8.713 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.022 -3.616 -9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.764 -5.830 -9.950 1.00 0.00 H new ATOM 0 HE1 HIS A 19 9.668 -8.067 -7.018 1.00 0.00 H new ATOM 0 HE2 HIS A 19 11.510 -8.143 -8.774 1.00 0.00 H new ATOM 271 N ARG A 20 12.096 -2.199 -9.793 1.00 0.00 N ATOM 272 CA ARG A 20 13.383 -1.980 -10.443 1.00 0.00 C ATOM 273 C ARG A 20 13.859 -0.545 -10.235 1.00 0.00 C ATOM 274 O ARG A 20 13.066 0.344 -9.923 1.00 0.00 O ATOM 275 CB ARG A 20 13.281 -2.284 -11.938 1.00 0.00 C ATOM 276 CG ARG A 20 14.580 -2.785 -12.548 1.00 0.00 C ATOM 277 CD ARG A 20 14.896 -4.202 -12.098 1.00 0.00 C ATOM 278 NE ARG A 20 13.920 -5.166 -12.597 1.00 0.00 N ATOM 279 CZ ARG A 20 13.878 -6.437 -12.212 1.00 0.00 C ATOM 280 NH1 ARG A 20 14.753 -6.894 -11.328 1.00 0.00 N ATOM 281 NH2 ARG A 20 12.959 -7.253 -12.712 1.00 0.00 N ATOM 0 H ARG A 20 11.288 -1.955 -10.365 1.00 0.00 H new ATOM 0 HA ARG A 20 14.110 -2.655 -9.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.503 -3.031 -12.096 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.967 -1.382 -12.463 1.00 0.00 H new ATOM 0 HG2 ARG A 20 14.508 -2.755 -13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.397 -2.121 -12.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.891 -4.480 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.918 -4.240 -11.009 1.00 0.00 H new ATOM 0 HE ARG A 20 13.232 -4.846 -13.279 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.461 -6.270 -10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.719 -7.870 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.284 -6.905 -13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.928 -8.229 -12.416 1.00 0.00 H new ATOM 295 N ARG A 21 15.158 -0.327 -10.411 1.00 0.00 N ATOM 296 CA ARG A 21 15.740 0.999 -10.242 1.00 0.00 C ATOM 297 C ARG A 21 15.669 1.441 -8.783 1.00 0.00 C ATOM 298 O ARG A 21 15.158 2.518 -8.473 1.00 0.00 O ATOM 299 CB ARG A 21 15.017 2.014 -11.129 1.00 0.00 C ATOM 300 CG ARG A 21 15.883 3.196 -11.532 1.00 0.00 C ATOM 301 CD ARG A 21 17.148 2.744 -12.245 1.00 0.00 C ATOM 302 NE ARG A 21 17.720 3.804 -13.069 1.00 0.00 N ATOM 303 CZ ARG A 21 17.225 4.167 -14.247 1.00 0.00 C ATOM 304 NH1 ARG A 21 16.153 3.559 -14.736 1.00 0.00 N ATOM 305 NH2 ARG A 21 17.802 5.142 -14.939 1.00 0.00 N ATOM 0 H ARG A 21 15.827 -1.052 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 21 16.788 0.949 -10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.663 1.510 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.137 2.382 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.314 3.859 -12.184 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.150 3.772 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.883 2.421 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.923 1.880 -12.871 1.00 0.00 H new ATOM 0 HE ARG A 21 18.545 4.293 -12.721 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.706 2.810 -14.207 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.775 3.840 -15.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.626 5.613 -14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.421 5.420 -15.843 1.00 0.00 H new ATOM 319 N LYS A 22 16.186 0.603 -7.890 1.00 0.00 N ATOM 320 CA LYS A 22 16.183 0.907 -6.464 1.00 0.00 C ATOM 321 C LYS A 22 16.353 2.404 -6.226 1.00 0.00 C ATOM 322 O LYS A 22 17.445 2.946 -6.385 1.00 0.00 O ATOM 323 CB LYS A 22 17.299 0.136 -5.756 1.00 0.00 C ATOM 324 CG LYS A 22 17.083 -1.367 -5.735 1.00 0.00 C ATOM 325 CD LYS A 22 17.690 -2.034 -6.958 1.00 0.00 C ATOM 326 CE LYS A 22 18.134 -3.456 -6.655 1.00 0.00 C ATOM 327 NZ LYS A 22 19.288 -3.488 -5.714 1.00 0.00 N ATOM 0 H LYS A 22 16.612 -0.292 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 22 15.221 0.600 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 22 18.247 0.351 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.384 0.496 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.527 -1.787 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.015 -1.582 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.960 -2.044 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.543 -1.452 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.301 -4.013 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.409 -3.956 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.813 -4.377 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.918 -2.684 -5.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.940 -3.425 -4.736 1.00 0.00 H new ATOM 341 N ASN A 23 15.265 3.065 -5.843 1.00 0.00 N ATOM 342 CA ASN A 23 15.295 4.499 -5.582 1.00 0.00 C ATOM 343 C ASN A 23 13.983 4.967 -4.960 1.00 0.00 C ATOM 344 O ASN A 23 13.042 4.187 -4.813 1.00 0.00 O ATOM 345 CB ASN A 23 15.561 5.269 -6.877 1.00 0.00 C ATOM 346 CG ASN A 23 16.088 6.668 -6.621 1.00 0.00 C ATOM 347 OD1 ASN A 23 15.226 7.664 -6.788 1.00 0.00 O flip ATOM 348 ND2 ASN A 23 17.256 6.850 -6.276 1.00 0.00 N flip ATOM 0 H ASN A 23 14.352 2.630 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 23 16.102 4.697 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.281 4.718 -7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 23 14.639 5.331 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.883 6.054 -6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.596 7.797 -6.106 1.00 0.00 H new ATOM 355 N TRP A 24 13.927 6.243 -4.599 1.00 0.00 N ATOM 356 CA TRP A 24 12.730 6.815 -3.994 1.00 0.00 C ATOM 357 C TRP A 24 12.221 7.999 -4.808 1.00 0.00 C ATOM 358 O TRP A 24 12.981 8.908 -5.144 1.00 0.00 O ATOM 359 CB TRP A 24 13.019 7.254 -2.558 1.00 0.00 C ATOM 360 CG TRP A 24 13.363 6.116 -1.646 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.604 5.778 -1.188 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.453 5.164 -1.083 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.521 4.674 -0.374 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.212 4.279 -0.293 1.00 0.00 C ATOM 365 CE3 TRP A 24 11.071 4.975 -1.168 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.634 3.221 0.404 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.498 3.925 -0.475 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.278 3.060 0.303 1.00 0.00 C ATOM 0 H TRP A 24 14.697 6.902 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 24 11.957 6.047 -3.983 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.843 7.968 -2.563 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.147 7.776 -2.163 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.517 6.302 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.307 4.222 0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.461 5.638 -1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.234 2.551 1.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.431 3.769 -0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.800 2.250 0.834 1.00 0.00 H new ATOM 379 N THR A 25 10.929 7.983 -5.124 1.00 0.00 N ATOM 380 CA THR A 25 10.319 9.056 -5.900 1.00 0.00 C ATOM 381 C THR A 25 8.999 9.500 -5.280 1.00 0.00 C ATOM 382 O THR A 25 8.157 8.673 -4.933 1.00 0.00 O ATOM 383 CB THR A 25 10.069 8.623 -7.357 1.00 0.00 C ATOM 384 OG1 THR A 25 9.391 7.362 -7.383 1.00 0.00 O ATOM 385 CG2 THR A 25 11.379 8.516 -8.122 1.00 0.00 C ATOM 0 H THR A 25 10.285 7.239 -4.854 1.00 0.00 H new ATOM 0 HA THR A 25 11.020 9.891 -5.892 1.00 0.00 H new ATOM 0 HB THR A 25 9.448 9.379 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.874 7.252 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.177 8.209 -9.148 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.879 9.485 -8.125 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.021 7.778 -7.642 1.00 0.00 H new ATOM 393 N GLU A 26 8.826 10.811 -5.145 1.00 0.00 N ATOM 394 CA GLU A 26 7.607 11.364 -4.566 1.00 0.00 C ATOM 395 C GLU A 26 6.420 11.163 -5.504 1.00 0.00 C ATOM 396 O GLU A 26 6.200 11.953 -6.422 1.00 0.00 O ATOM 397 CB GLU A 26 7.788 12.854 -4.267 1.00 0.00 C ATOM 398 CG GLU A 26 6.688 13.438 -3.398 1.00 0.00 C ATOM 399 CD GLU A 26 6.882 14.918 -3.127 1.00 0.00 C ATOM 400 OE1 GLU A 26 7.395 15.623 -4.021 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.520 15.371 -2.021 1.00 0.00 O ATOM 0 H GLU A 26 9.513 11.509 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 26 7.406 10.836 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.748 13.003 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.826 13.403 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.725 13.285 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.655 12.900 -2.450 1.00 0.00 H new ATOM 408 N ARG A 27 5.658 10.101 -5.266 1.00 0.00 N ATOM 409 CA ARG A 27 4.495 9.794 -6.089 1.00 0.00 C ATOM 410 C ARG A 27 3.207 9.930 -5.283 1.00 0.00 C ATOM 411 O ARG A 27 3.137 9.505 -4.129 1.00 0.00 O ATOM 412 CB ARG A 27 4.606 8.379 -6.659 1.00 0.00 C ATOM 413 CG ARG A 27 3.358 7.920 -7.396 1.00 0.00 C ATOM 414 CD ARG A 27 3.452 8.213 -8.885 1.00 0.00 C ATOM 415 NE ARG A 27 4.240 7.206 -9.592 1.00 0.00 N ATOM 416 CZ ARG A 27 4.874 7.440 -10.736 1.00 0.00 C ATOM 417 NH1 ARG A 27 4.814 8.640 -11.298 1.00 0.00 N ATOM 418 NH2 ARG A 27 5.571 6.473 -11.319 1.00 0.00 N ATOM 0 H ARG A 27 5.825 9.438 -4.509 1.00 0.00 H new ATOM 0 HA ARG A 27 4.465 10.508 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.456 8.336 -7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.814 7.684 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.216 6.850 -7.243 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.484 8.420 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.449 8.253 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.901 9.195 -9.034 1.00 0.00 H new ATOM 0 HE ARG A 27 4.307 6.273 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.280 9.386 -10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.302 8.817 -12.176 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.620 5.549 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.057 6.653 -12.197 1.00 0.00 H new ATOM 432 N TRP A 28 2.191 10.526 -5.896 1.00 0.00 N ATOM 433 CA TRP A 28 0.906 10.719 -5.235 1.00 0.00 C ATOM 434 C TRP A 28 0.205 9.384 -5.008 1.00 0.00 C ATOM 435 O TRP A 28 0.232 8.503 -5.867 1.00 0.00 O ATOM 436 CB TRP A 28 0.014 11.642 -6.067 1.00 0.00 C ATOM 437 CG TRP A 28 -1.149 12.195 -5.300 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.469 11.898 -5.485 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.095 13.142 -4.228 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.239 12.604 -4.592 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.420 13.374 -3.810 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.056 13.816 -3.579 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.731 14.251 -2.774 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.367 14.687 -2.552 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.694 14.897 -2.157 1.00 0.00 C ATOM 0 H TRP A 28 2.232 10.884 -6.850 1.00 0.00 H new ATOM 0 HA TRP A 28 1.091 11.181 -4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.614 12.468 -6.449 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.359 11.093 -6.932 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.851 11.210 -6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.256 12.561 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.971 13.659 -3.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.754 14.416 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.427 15.215 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.903 15.583 -1.349 1.00 0.00 H new ATOM 456 N PHE A 29 -0.423 9.240 -3.845 1.00 0.00 N ATOM 457 CA PHE A 29 -1.130 8.011 -3.505 1.00 0.00 C ATOM 458 C PHE A 29 -2.550 8.314 -3.034 1.00 0.00 C ATOM 459 O PHE A 29 -2.755 9.097 -2.107 1.00 0.00 O ATOM 460 CB PHE A 29 -0.373 7.246 -2.418 1.00 0.00 C ATOM 461 CG PHE A 29 0.673 6.314 -2.960 1.00 0.00 C ATOM 462 CD1 PHE A 29 0.343 5.021 -3.332 1.00 0.00 C ATOM 463 CD2 PHE A 29 1.987 6.732 -3.098 1.00 0.00 C ATOM 464 CE1 PHE A 29 1.304 4.161 -3.830 1.00 0.00 C ATOM 465 CE2 PHE A 29 2.953 5.877 -3.596 1.00 0.00 C ATOM 466 CZ PHE A 29 2.610 4.590 -3.963 1.00 0.00 C ATOM 0 H PHE A 29 -0.456 9.959 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.186 7.394 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.102 7.960 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.086 6.674 -1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.677 4.681 -3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.260 7.737 -2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.034 3.155 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.974 6.215 -3.698 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.362 3.920 -4.353 1.00 0.00 H new ATOM 476 N VAL A 30 -3.528 7.687 -3.681 1.00 0.00 N ATOM 477 CA VAL A 30 -4.928 7.888 -3.330 1.00 0.00 C ATOM 478 C VAL A 30 -5.510 6.649 -2.658 1.00 0.00 C ATOM 479 O VAL A 30 -5.941 5.710 -3.329 1.00 0.00 O ATOM 480 CB VAL A 30 -5.775 8.231 -4.570 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.243 8.361 -4.195 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.268 9.508 -5.224 1.00 0.00 C ATOM 0 H VAL A 30 -3.376 7.036 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.962 8.726 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.680 7.418 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.825 8.604 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.596 7.419 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.361 9.154 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.878 9.736 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.332 10.331 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.231 9.373 -5.530 1.00 0.00 H new ATOM 492 N LEU A 31 -5.519 6.652 -1.330 1.00 0.00 N ATOM 493 CA LEU A 31 -6.048 5.528 -0.566 1.00 0.00 C ATOM 494 C LEU A 31 -7.565 5.445 -0.699 1.00 0.00 C ATOM 495 O LEU A 31 -8.284 6.370 -0.318 1.00 0.00 O ATOM 496 CB LEU A 31 -5.660 5.659 0.908 1.00 0.00 C ATOM 497 CG LEU A 31 -6.268 4.626 1.857 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.862 3.219 1.445 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.846 4.906 3.292 1.00 0.00 C ATOM 0 H LEU A 31 -5.166 7.420 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.616 4.612 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.574 5.598 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.948 6.652 1.252 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.354 4.701 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.304 2.497 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.215 3.020 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.776 3.130 1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.288 4.161 3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.760 4.859 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.188 5.899 3.585 1.00 0.00 H new ATOM 511 N LYS A 32 -8.047 4.331 -1.239 1.00 0.00 N ATOM 512 CA LYS A 32 -9.479 4.125 -1.419 1.00 0.00 C ATOM 513 C LYS A 32 -10.031 3.182 -0.355 1.00 0.00 C ATOM 514 O LYS A 32 -9.291 2.454 0.308 1.00 0.00 O ATOM 515 CB LYS A 32 -9.762 3.560 -2.813 1.00 0.00 C ATOM 516 CG LYS A 32 -9.969 4.629 -3.872 1.00 0.00 C ATOM 517 CD LYS A 32 -11.277 5.372 -3.667 1.00 0.00 C ATOM 518 CE LYS A 32 -11.361 6.608 -4.549 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.766 6.926 -4.927 1.00 0.00 N ATOM 0 H LYS A 32 -7.466 3.556 -1.560 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.976 5.090 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.932 2.920 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.650 2.929 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.140 5.336 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.962 4.169 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.112 4.708 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.371 5.663 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.925 7.458 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.769 6.451 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.808 7.882 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.102 6.235 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.371 6.884 -4.082 1.00 0.00 H new ATOM 533 N PRO A 33 -11.362 3.191 -0.187 1.00 0.00 N ATOM 534 CA PRO A 33 -12.042 2.341 0.794 1.00 0.00 C ATOM 535 C PRO A 33 -12.003 0.866 0.409 1.00 0.00 C ATOM 536 O PRO A 33 -12.080 -0.012 1.267 1.00 0.00 O ATOM 537 CB PRO A 33 -13.482 2.860 0.776 1.00 0.00 C ATOM 538 CG PRO A 33 -13.648 3.468 -0.574 1.00 0.00 C ATOM 539 CD PRO A 33 -12.305 4.033 -0.942 1.00 0.00 C ATOM 0 HA PRO A 33 -11.568 2.392 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.196 2.052 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.648 3.594 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.970 2.722 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.409 4.248 -0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.125 3.975 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.220 5.083 -0.661 1.00 0.00 H new ATOM 547 N ASN A 34 -11.883 0.601 -0.888 1.00 0.00 N ATOM 548 CA ASN A 34 -11.834 -0.769 -1.387 1.00 0.00 C ATOM 549 C ASN A 34 -10.709 -0.937 -2.404 1.00 0.00 C ATOM 550 O ASN A 34 -10.765 -1.814 -3.267 1.00 0.00 O ATOM 551 CB ASN A 34 -13.172 -1.150 -2.022 1.00 0.00 C ATOM 552 CG ASN A 34 -14.149 -1.723 -1.013 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.789 -1.987 0.135 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.392 -1.918 -1.437 1.00 0.00 N ATOM 0 H ASN A 34 -11.818 1.316 -1.612 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.639 -1.431 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.612 -0.270 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.001 -1.880 -2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.093 -2.301 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.646 -1.685 -2.397 1.00 0.00 H new ATOM 561 N ILE A 35 -9.689 -0.093 -2.295 1.00 0.00 N ATOM 562 CA ILE A 35 -8.551 -0.149 -3.204 1.00 0.00 C ATOM 563 C ILE A 35 -7.518 0.918 -2.858 1.00 0.00 C ATOM 564 O ILE A 35 -7.709 1.704 -1.930 1.00 0.00 O ATOM 565 CB ILE A 35 -8.990 0.033 -4.669 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.969 -0.604 -5.614 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.166 1.510 -4.989 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.589 -1.211 -6.853 1.00 0.00 C ATOM 0 H ILE A 35 -9.627 0.638 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.103 -1.136 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.948 -0.467 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.243 0.152 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.421 -1.377 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.476 1.623 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.927 1.936 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.221 2.031 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.807 -1.644 -7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.294 -1.990 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.113 -0.437 -7.414 1.00 0.00 H new ATOM 580 N ILE A 36 -6.423 0.940 -3.612 1.00 0.00 N ATOM 581 CA ILE A 36 -5.361 1.913 -3.387 1.00 0.00 C ATOM 582 C ILE A 36 -4.669 2.283 -4.694 1.00 0.00 C ATOM 583 O ILE A 36 -3.880 1.506 -5.232 1.00 0.00 O ATOM 584 CB ILE A 36 -4.310 1.379 -2.396 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.899 1.304 -0.985 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.071 2.262 -2.412 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.904 0.856 0.062 1.00 0.00 C ATOM 0 H ILE A 36 -6.249 0.296 -4.383 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.830 2.801 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.021 0.374 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.287 2.285 -0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.744 0.616 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.337 1.872 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.643 2.270 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.344 3.278 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.390 0.826 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.534 -0.138 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.070 1.557 0.094 1.00 0.00 H new ATOM 599 N SER A 37 -4.969 3.476 -5.199 1.00 0.00 N ATOM 600 CA SER A 37 -4.377 3.949 -6.445 1.00 0.00 C ATOM 601 C SER A 37 -3.249 4.939 -6.169 1.00 0.00 C ATOM 602 O SER A 37 -3.086 5.414 -5.044 1.00 0.00 O ATOM 603 CB SER A 37 -5.443 4.606 -7.323 1.00 0.00 C ATOM 604 OG SER A 37 -5.147 4.435 -8.699 1.00 0.00 O ATOM 0 H SER A 37 -5.618 4.132 -4.765 1.00 0.00 H new ATOM 0 HA SER A 37 -3.962 3.089 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.419 4.173 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.505 5.669 -7.091 1.00 0.00 H new ATOM 0 HG SER A 37 -4.557 3.661 -8.813 1.00 0.00 H new ATOM 610 N TYR A 38 -2.473 5.245 -7.202 1.00 0.00 N ATOM 611 CA TYR A 38 -1.359 6.176 -7.072 1.00 0.00 C ATOM 612 C TYR A 38 -1.103 6.907 -8.387 1.00 0.00 C ATOM 613 O TYR A 38 -0.747 6.293 -9.393 1.00 0.00 O ATOM 614 CB TYR A 38 -0.095 5.434 -6.634 1.00 0.00 C ATOM 615 CG TYR A 38 0.213 4.215 -7.475 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.476 3.023 -7.284 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.192 4.256 -8.459 1.00 0.00 C ATOM 618 CE1 TYR A 38 -0.197 1.907 -8.049 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.477 3.145 -9.230 1.00 0.00 C ATOM 620 CZ TYR A 38 0.780 1.973 -9.021 1.00 0.00 C ATOM 621 OH TYR A 38 1.060 0.864 -9.786 1.00 0.00 O ATOM 0 H TYR A 38 -2.595 4.862 -8.139 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.622 6.913 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.752 6.119 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.205 5.129 -5.593 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.242 2.968 -6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.740 5.172 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.741 0.988 -7.887 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.241 3.194 -9.992 1.00 0.00 H new ATOM 0 HH TYR A 38 1.772 1.078 -10.424 1.00 0.00 H new ATOM 631 N TYR A 39 -1.286 8.222 -8.370 1.00 0.00 N ATOM 632 CA TYR A 39 -1.078 9.038 -9.560 1.00 0.00 C ATOM 633 C TYR A 39 0.264 9.762 -9.496 1.00 0.00 C ATOM 634 O TYR A 39 0.916 9.794 -8.452 1.00 0.00 O ATOM 635 CB TYR A 39 -2.211 10.054 -9.712 1.00 0.00 C ATOM 636 CG TYR A 39 -3.579 9.421 -9.830 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.233 8.920 -8.711 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.218 9.324 -11.060 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.483 8.341 -8.813 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.468 8.747 -11.172 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.097 8.257 -10.046 1.00 0.00 C ATOM 642 OH TYR A 39 -7.342 7.681 -10.153 1.00 0.00 O ATOM 0 H TYR A 39 -1.578 8.746 -7.545 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.073 8.377 -10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.203 10.726 -8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.025 10.664 -10.596 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.756 8.984 -7.744 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.729 9.706 -11.944 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.977 7.956 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.950 8.680 -12.136 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.633 7.702 -11.089 1.00 0.00 H new ATOM 652 N VAL A 40 0.669 10.344 -10.620 1.00 0.00 N ATOM 653 CA VAL A 40 1.932 11.070 -10.693 1.00 0.00 C ATOM 654 C VAL A 40 1.971 12.207 -9.679 1.00 0.00 C ATOM 655 O VAL A 40 2.879 12.284 -8.851 1.00 0.00 O ATOM 656 CB VAL A 40 2.168 11.645 -12.102 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.485 12.404 -12.156 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.141 10.534 -13.142 1.00 0.00 C ATOM 0 H VAL A 40 0.141 10.327 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 40 2.722 10.355 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 40 1.364 12.345 -12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.634 12.803 -13.159 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.462 13.225 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.304 11.729 -11.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.309 10.958 -14.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.924 9.809 -12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.170 10.038 -13.120 1.00 0.00 H new ATOM 668 N SER A 41 0.980 13.090 -9.749 1.00 0.00 N ATOM 669 CA SER A 41 0.902 14.226 -8.838 1.00 0.00 C ATOM 670 C SER A 41 -0.424 14.229 -8.085 1.00 0.00 C ATOM 671 O SER A 41 -1.226 13.305 -8.214 1.00 0.00 O ATOM 672 CB SER A 41 1.066 15.537 -9.610 1.00 0.00 C ATOM 673 OG SER A 41 0.169 15.600 -10.705 1.00 0.00 O ATOM 0 H SER A 41 0.220 13.041 -10.427 1.00 0.00 H new ATOM 0 HA SER A 41 1.711 14.135 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.889 16.380 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.091 15.625 -9.970 1.00 0.00 H new ATOM 0 HG SER A 41 0.293 16.448 -11.181 1.00 0.00 H new ATOM 679 N GLU A 42 -0.648 15.276 -7.297 1.00 0.00 N ATOM 680 CA GLU A 42 -1.877 15.400 -6.521 1.00 0.00 C ATOM 681 C GLU A 42 -2.991 16.014 -7.363 1.00 0.00 C ATOM 682 O GLU A 42 -3.865 16.708 -6.843 1.00 0.00 O ATOM 683 CB GLU A 42 -1.635 16.252 -5.274 1.00 0.00 C ATOM 684 CG GLU A 42 -1.414 17.725 -5.576 1.00 0.00 C ATOM 685 CD GLU A 42 -0.864 18.488 -4.387 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.114 18.062 -3.241 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.183 19.512 -4.604 1.00 0.00 O ATOM 0 H GLU A 42 0.005 16.050 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.186 14.401 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.489 16.151 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.766 15.864 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.725 17.821 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.358 18.174 -5.886 1.00 0.00 H new ATOM 694 N ASP A 43 -2.953 15.754 -8.665 1.00 0.00 N ATOM 695 CA ASP A 43 -3.960 16.281 -9.579 1.00 0.00 C ATOM 696 C ASP A 43 -4.935 15.187 -10.002 1.00 0.00 C ATOM 697 O ASP A 43 -6.091 15.462 -10.327 1.00 0.00 O ATOM 698 CB ASP A 43 -3.291 16.889 -10.813 1.00 0.00 C ATOM 699 CG ASP A 43 -4.191 17.874 -11.533 1.00 0.00 C ATOM 700 OD1 ASP A 43 -5.425 17.786 -11.360 1.00 0.00 O ATOM 701 OD2 ASP A 43 -3.661 18.732 -12.269 1.00 0.00 O ATOM 0 H ASP A 43 -2.236 15.182 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.518 17.059 -9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.372 17.393 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.008 16.091 -11.499 1.00 0.00 H new ATOM 706 N LEU A 44 -4.463 13.945 -9.996 1.00 0.00 N ATOM 707 CA LEU A 44 -5.292 12.808 -10.380 1.00 0.00 C ATOM 708 C LEU A 44 -5.656 12.874 -11.860 1.00 0.00 C ATOM 709 O LEU A 44 -6.782 12.565 -12.248 1.00 0.00 O ATOM 710 CB LEU A 44 -6.565 12.772 -9.532 1.00 0.00 C ATOM 711 CG LEU A 44 -6.378 12.997 -8.031 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.726 13.154 -7.343 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.592 11.850 -7.413 1.00 0.00 C ATOM 0 H LEU A 44 -3.510 13.700 -9.729 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.719 11.897 -10.206 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.251 13.530 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.047 11.805 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.811 13.917 -7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.573 13.313 -6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.253 14.009 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.319 12.252 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.469 12.027 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.132 10.915 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.612 11.784 -7.885 1.00 0.00 H new ATOM 725 N LYS A 45 -4.693 13.278 -12.682 1.00 0.00 N ATOM 726 CA LYS A 45 -4.909 13.382 -14.121 1.00 0.00 C ATOM 727 C LYS A 45 -4.316 12.179 -14.848 1.00 0.00 C ATOM 728 O LYS A 45 -4.909 11.659 -15.793 1.00 0.00 O ATOM 729 CB LYS A 45 -4.289 14.673 -14.659 1.00 0.00 C ATOM 730 CG LYS A 45 -4.809 15.927 -13.978 1.00 0.00 C ATOM 731 CD LYS A 45 -4.804 17.117 -14.923 1.00 0.00 C ATOM 732 CE LYS A 45 -5.933 17.028 -15.938 1.00 0.00 C ATOM 733 NZ LYS A 45 -7.265 17.242 -15.306 1.00 0.00 N ATOM 0 H LYS A 45 -3.755 13.539 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.984 13.400 -14.301 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.207 14.625 -14.536 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.486 14.742 -15.729 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.822 15.752 -13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.194 16.151 -13.106 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.901 18.039 -14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.848 17.165 -15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.778 17.772 -16.720 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.912 16.050 -16.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.971 17.444 -16.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.544 16.386 -14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.212 18.046 -14.648 1.00 0.00 H new ATOM 747 N ASP A 46 -3.144 11.742 -14.400 1.00 0.00 N ATOM 748 CA ASP A 46 -2.472 10.599 -15.007 1.00 0.00 C ATOM 749 C ASP A 46 -2.321 9.461 -14.002 1.00 0.00 C ATOM 750 O ASP A 46 -1.587 9.579 -13.020 1.00 0.00 O ATOM 751 CB ASP A 46 -1.099 11.011 -15.540 1.00 0.00 C ATOM 752 CG ASP A 46 -0.460 9.930 -16.389 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.080 9.516 -17.391 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.662 9.498 -16.052 1.00 0.00 O ATOM 0 H ASP A 46 -2.640 12.162 -13.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.085 10.248 -15.837 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.200 11.921 -16.131 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.443 11.246 -14.702 1.00 0.00 H new ATOM 759 N LYS A 47 -3.020 8.360 -14.253 1.00 0.00 N ATOM 760 CA LYS A 47 -2.964 7.200 -13.371 1.00 0.00 C ATOM 761 C LYS A 47 -1.798 6.289 -13.742 1.00 0.00 C ATOM 762 O LYS A 47 -1.459 6.145 -14.917 1.00 0.00 O ATOM 763 CB LYS A 47 -4.278 6.418 -13.439 1.00 0.00 C ATOM 764 CG LYS A 47 -4.370 5.294 -12.421 1.00 0.00 C ATOM 765 CD LYS A 47 -5.814 4.960 -12.088 1.00 0.00 C ATOM 766 CE LYS A 47 -6.409 3.989 -13.097 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.892 3.918 -12.991 1.00 0.00 N ATOM 0 H LYS A 47 -3.633 8.246 -15.061 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.813 7.557 -12.352 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.109 7.106 -13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.392 6.001 -14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.871 4.407 -12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.843 5.582 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.867 4.526 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.405 5.875 -12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.131 4.297 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.986 2.997 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.259 3.246 -13.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.157 3.599 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.298 4.859 -13.167 1.00 0.00 H new ATOM 781 N LYS A 48 -1.188 5.675 -12.734 1.00 0.00 N ATOM 782 CA LYS A 48 -0.062 4.776 -12.955 1.00 0.00 C ATOM 783 C LYS A 48 -0.499 3.319 -12.845 1.00 0.00 C ATOM 784 O LYS A 48 -0.099 2.478 -13.649 1.00 0.00 O ATOM 785 CB LYS A 48 1.051 5.063 -11.944 1.00 0.00 C ATOM 786 CG LYS A 48 1.512 6.510 -11.942 1.00 0.00 C ATOM 787 CD LYS A 48 2.638 6.739 -12.936 1.00 0.00 C ATOM 788 CE LYS A 48 2.100 7.078 -14.318 1.00 0.00 C ATOM 789 NZ LYS A 48 3.141 7.703 -15.180 1.00 0.00 N ATOM 0 H LYS A 48 -1.455 5.784 -11.756 1.00 0.00 H new ATOM 0 HA LYS A 48 0.316 4.948 -13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.700 4.801 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.903 4.419 -12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.672 7.160 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.847 6.784 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.277 7.549 -12.584 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.260 5.846 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.729 6.171 -14.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.253 7.757 -14.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.716 8.473 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.902 8.086 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.533 6.987 -15.825 1.00 0.00 H new ATOM 803 N GLY A 49 -1.325 3.027 -11.845 1.00 0.00 N ATOM 804 CA GLY A 49 -1.804 1.671 -11.650 1.00 0.00 C ATOM 805 C GLY A 49 -2.852 1.578 -10.558 1.00 0.00 C ATOM 806 O GLY A 49 -3.555 2.549 -10.278 1.00 0.00 O ATOM 0 H GLY A 49 -1.671 3.705 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.224 1.299 -12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.963 1.024 -11.399 1.00 0.00 H new ATOM 810 N ASP A 50 -2.957 0.406 -9.940 1.00 0.00 N ATOM 811 CA ASP A 50 -3.927 0.189 -8.873 1.00 0.00 C ATOM 812 C ASP A 50 -3.530 -1.008 -8.014 1.00 0.00 C ATOM 813 O ASP A 50 -2.949 -1.974 -8.509 1.00 0.00 O ATOM 814 CB ASP A 50 -5.322 -0.028 -9.459 1.00 0.00 C ATOM 815 CG ASP A 50 -5.293 -0.846 -10.736 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.383 -1.688 -10.880 1.00 0.00 O ATOM 817 OD2 ASP A 50 -6.180 -0.642 -11.591 1.00 0.00 O ATOM 0 H ASP A 50 -2.382 -0.408 -10.160 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.942 1.078 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.948 -0.532 -8.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.783 0.939 -9.661 1.00 0.00 H new ATOM 822 N ILE A 51 -3.847 -0.935 -6.726 1.00 0.00 N ATOM 823 CA ILE A 51 -3.524 -2.013 -5.798 1.00 0.00 C ATOM 824 C ILE A 51 -4.789 -2.629 -5.209 1.00 0.00 C ATOM 825 O ILE A 51 -5.313 -2.152 -4.201 1.00 0.00 O ATOM 826 CB ILE A 51 -2.625 -1.517 -4.650 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.351 -0.880 -5.210 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.283 -2.665 -3.712 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.668 0.058 -4.239 1.00 0.00 C ATOM 0 H ILE A 51 -4.327 -0.142 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.986 -2.770 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.167 -0.760 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.654 -1.669 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.598 -0.332 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.647 -2.299 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.200 -3.077 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.756 -3.442 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.227 0.473 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.349 0.868 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.390 -0.490 -3.339 1.00 0.00 H new ATOM 841 N LEU A 52 -5.273 -3.691 -5.842 1.00 0.00 N ATOM 842 CA LEU A 52 -6.476 -4.375 -5.380 1.00 0.00 C ATOM 843 C LEU A 52 -6.342 -4.784 -3.917 1.00 0.00 C ATOM 844 O LEU A 52 -5.523 -5.637 -3.572 1.00 0.00 O ATOM 845 CB LEU A 52 -6.749 -5.608 -6.243 1.00 0.00 C ATOM 846 CG LEU A 52 -6.685 -5.396 -7.756 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.810 -6.724 -8.487 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.774 -4.433 -8.206 1.00 0.00 C ATOM 0 H LEU A 52 -4.851 -4.098 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.314 -3.684 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.030 -6.382 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.738 -5.991 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.717 -4.959 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.762 -6.553 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.994 -7.382 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.763 -7.189 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.713 -4.294 -9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.751 -4.842 -7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.639 -3.473 -7.708 1.00 0.00 H new ATOM 860 N LEU A 53 -7.151 -4.171 -3.060 1.00 0.00 N ATOM 861 CA LEU A 53 -7.125 -4.473 -1.633 1.00 0.00 C ATOM 862 C LEU A 53 -7.934 -5.729 -1.327 1.00 0.00 C ATOM 863 O LEU A 53 -8.989 -5.959 -1.917 1.00 0.00 O ATOM 864 CB LEU A 53 -7.674 -3.291 -0.832 1.00 0.00 C ATOM 865 CG LEU A 53 -6.714 -2.120 -0.620 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.451 -0.924 -0.036 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.562 -2.532 0.285 1.00 0.00 C ATOM 0 H LEU A 53 -7.833 -3.462 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.089 -4.651 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.565 -2.918 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.991 -3.656 0.145 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.305 -1.831 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.752 -0.100 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.241 -0.614 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.889 -1.200 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.889 -1.686 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.954 -2.848 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.017 -3.358 -0.173 1.00 0.00 H new ATOM 879 N ASP A 54 -7.432 -6.538 -0.400 1.00 0.00 N ATOM 880 CA ASP A 54 -8.110 -7.770 -0.012 1.00 0.00 C ATOM 881 C ASP A 54 -7.597 -8.272 1.333 1.00 0.00 C ATOM 882 O ASP A 54 -6.441 -8.046 1.691 1.00 0.00 O ATOM 883 CB ASP A 54 -7.910 -8.845 -1.082 1.00 0.00 C ATOM 884 CG ASP A 54 -8.198 -8.332 -2.479 1.00 0.00 C ATOM 885 OD1 ASP A 54 -9.386 -8.291 -2.864 1.00 0.00 O ATOM 886 OD2 ASP A 54 -7.236 -7.970 -3.188 1.00 0.00 O ATOM 0 H ASP A 54 -6.558 -6.363 0.097 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.175 -7.556 0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.885 -9.212 -1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.561 -9.692 -0.868 1.00 0.00 H new ATOM 891 N GLU A 55 -8.464 -8.954 2.075 1.00 0.00 N ATOM 892 CA GLU A 55 -8.098 -9.486 3.382 1.00 0.00 C ATOM 893 C GLU A 55 -6.628 -9.894 3.411 1.00 0.00 C ATOM 894 O GLU A 55 -5.917 -9.626 4.379 1.00 0.00 O ATOM 895 CB GLU A 55 -8.979 -10.687 3.734 1.00 0.00 C ATOM 896 CG GLU A 55 -9.000 -11.761 2.659 1.00 0.00 C ATOM 897 CD GLU A 55 -9.766 -12.998 3.087 1.00 0.00 C ATOM 898 OE1 GLU A 55 -9.486 -13.518 4.187 1.00 0.00 O ATOM 899 OE2 GLU A 55 -10.645 -13.447 2.321 1.00 0.00 O ATOM 0 H GLU A 55 -9.424 -9.151 1.793 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.254 -8.701 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.625 -11.125 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.997 -10.341 3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.450 -11.355 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.976 -12.040 2.409 1.00 0.00 H new ATOM 906 N ASN A 56 -6.179 -10.545 2.343 1.00 0.00 N ATOM 907 CA ASN A 56 -4.795 -10.992 2.245 1.00 0.00 C ATOM 908 C ASN A 56 -3.833 -9.812 2.354 1.00 0.00 C ATOM 909 O ASN A 56 -2.945 -9.797 3.206 1.00 0.00 O ATOM 910 CB ASN A 56 -4.566 -11.730 0.925 1.00 0.00 C ATOM 911 CG ASN A 56 -4.843 -13.217 1.038 1.00 0.00 C ATOM 912 OD1 ASN A 56 -3.922 -14.024 1.157 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.119 -13.585 1.001 1.00 0.00 N ATOM 0 H ASN A 56 -6.754 -10.775 1.533 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.601 -11.674 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.208 -11.301 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.536 -11.579 0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.368 -14.572 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.850 -12.881 0.901 1.00 0.00 H new ATOM 920 N CYS A 57 -4.018 -8.823 1.485 1.00 0.00 N ATOM 921 CA CYS A 57 -3.169 -7.638 1.482 1.00 0.00 C ATOM 922 C CYS A 57 -3.091 -7.022 2.876 1.00 0.00 C ATOM 923 O CYS A 57 -4.084 -6.975 3.602 1.00 0.00 O ATOM 924 CB CYS A 57 -3.701 -6.607 0.486 1.00 0.00 C ATOM 925 SG CYS A 57 -3.522 -7.097 -1.259 1.00 0.00 S ATOM 0 H CYS A 57 -4.749 -8.819 0.774 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.166 -7.940 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.755 -6.426 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.179 -5.663 0.643 1.00 0.00 H new ATOM 930 N CYS A 58 -1.904 -6.551 3.242 1.00 0.00 N ATOM 931 CA CYS A 58 -1.695 -5.937 4.549 1.00 0.00 C ATOM 932 C CYS A 58 -0.501 -4.989 4.520 1.00 0.00 C ATOM 933 O CYS A 58 0.270 -4.973 3.560 1.00 0.00 O ATOM 934 CB CYS A 58 -1.479 -7.015 5.613 1.00 0.00 C ATOM 935 SG CYS A 58 -0.005 -8.028 5.349 1.00 0.00 S ATOM 0 H CYS A 58 -1.072 -6.582 2.653 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.587 -5.362 4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.408 -6.537 6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.354 -7.665 5.639 1.00 0.00 H new ATOM 0 HG CYS A 58 0.093 -8.908 6.301 1.00 0.00 H new ATOM 941 N VAL A 59 -0.354 -4.197 5.577 1.00 0.00 N ATOM 942 CA VAL A 59 0.745 -3.244 5.673 1.00 0.00 C ATOM 943 C VAL A 59 1.565 -3.476 6.937 1.00 0.00 C ATOM 944 O VAL A 59 1.016 -3.764 8.000 1.00 0.00 O ATOM 945 CB VAL A 59 0.232 -1.792 5.666 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.699 -1.549 6.844 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.398 -0.815 5.688 1.00 0.00 C ATOM 0 H VAL A 59 -0.983 -4.197 6.380 1.00 0.00 H new ATOM 0 HA VAL A 59 1.377 -3.402 4.799 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.332 -1.629 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.051 -0.518 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.551 -2.225 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.162 -1.730 7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.017 0.206 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.991 -0.976 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.022 -0.974 4.809 1.00 0.00 H new ATOM 957 N GLU A 60 2.883 -3.349 6.813 1.00 0.00 N ATOM 958 CA GLU A 60 3.778 -3.545 7.946 1.00 0.00 C ATOM 959 C GLU A 60 4.663 -2.320 8.160 1.00 0.00 C ATOM 960 O GLU A 60 4.825 -1.494 7.262 1.00 0.00 O ATOM 961 CB GLU A 60 4.649 -4.785 7.728 1.00 0.00 C ATOM 962 CG GLU A 60 5.567 -4.679 6.522 1.00 0.00 C ATOM 963 CD GLU A 60 6.423 -5.916 6.331 1.00 0.00 C ATOM 964 OE1 GLU A 60 6.800 -6.539 7.346 1.00 0.00 O ATOM 965 OE2 GLU A 60 6.716 -6.261 5.167 1.00 0.00 O ATOM 0 H GLU A 60 3.353 -3.111 5.940 1.00 0.00 H new ATOM 0 HA GLU A 60 3.167 -3.690 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.252 -4.956 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.004 -5.655 7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.967 -4.515 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.213 -3.809 6.637 1.00 0.00 H new ATOM 972 N SER A 61 5.233 -2.210 9.355 1.00 0.00 N ATOM 973 CA SER A 61 6.098 -1.084 9.689 1.00 0.00 C ATOM 974 C SER A 61 7.568 -1.482 9.594 1.00 0.00 C ATOM 975 O SER A 61 8.099 -2.157 10.477 1.00 0.00 O ATOM 976 CB SER A 61 5.786 -0.574 11.097 1.00 0.00 C ATOM 977 OG SER A 61 5.785 -1.636 12.036 1.00 0.00 O ATOM 0 H SER A 61 5.112 -2.887 10.109 1.00 0.00 H new ATOM 0 HA SER A 61 5.908 -0.286 8.971 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.525 0.173 11.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.814 -0.080 11.101 1.00 0.00 H new ATOM 0 HG SER A 61 6.557 -2.217 11.873 1.00 0.00 H new ATOM 983 N LEU A 62 8.220 -1.058 8.517 1.00 0.00 N ATOM 984 CA LEU A 62 9.630 -1.369 8.305 1.00 0.00 C ATOM 985 C LEU A 62 10.518 -0.494 9.183 1.00 0.00 C ATOM 986 O LEU A 62 10.202 0.659 9.475 1.00 0.00 O ATOM 987 CB LEU A 62 9.999 -1.175 6.833 1.00 0.00 C ATOM 988 CG LEU A 62 9.313 -2.114 5.839 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.808 -1.849 4.426 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.551 -3.566 6.227 1.00 0.00 C ATOM 0 H LEU A 62 7.796 -0.498 7.777 1.00 0.00 H new ATOM 0 HA LEU A 62 9.793 -2.411 8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.765 -0.148 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.078 -1.295 6.731 1.00 0.00 H new ATOM 0 HG LEU A 62 8.240 -1.922 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 62 9.309 -2.526 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.586 -0.818 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.885 -2.012 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.056 -4.220 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.621 -3.772 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.146 -3.748 7.223 1.00 0.00 H new ATOM 1002 N PRO A 63 11.659 -1.053 9.613 1.00 0.00 N ATOM 1003 CA PRO A 63 12.619 -0.341 10.462 1.00 0.00 C ATOM 1004 C PRO A 63 13.335 0.779 9.714 1.00 0.00 C ATOM 1005 O PRO A 63 12.898 1.201 8.643 1.00 0.00 O ATOM 1006 CB PRO A 63 13.612 -1.433 10.868 1.00 0.00 C ATOM 1007 CG PRO A 63 13.527 -2.446 9.780 1.00 0.00 C ATOM 1008 CD PRO A 63 12.100 -2.424 9.303 1.00 0.00 C ATOM 0 HA PRO A 63 12.133 0.147 11.307 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.622 -1.035 10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.351 -1.866 11.834 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.213 -2.205 8.968 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.801 -3.436 10.146 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.029 -2.638 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.492 -3.168 9.818 1.00 0.00 H new ATOM 1016 N ASP A 64 14.435 1.255 10.285 1.00 0.00 N ATOM 1017 CA ASP A 64 15.213 2.326 9.671 1.00 0.00 C ATOM 1018 C ASP A 64 16.236 1.761 8.691 1.00 0.00 C ATOM 1019 O ASP A 64 17.085 0.950 9.061 1.00 0.00 O ATOM 1020 CB ASP A 64 15.921 3.152 10.746 1.00 0.00 C ATOM 1021 CG ASP A 64 16.824 2.308 11.624 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.383 1.225 12.063 1.00 0.00 O ATOM 1023 OD2 ASP A 64 17.973 2.730 11.871 1.00 0.00 O ATOM 0 H ASP A 64 14.809 0.917 11.172 1.00 0.00 H new ATOM 0 HA ASP A 64 14.527 2.971 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.511 3.934 10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.176 3.649 11.368 1.00 0.00 H new ATOM 1028 N LYS A 65 16.148 2.194 7.437 1.00 0.00 N ATOM 1029 CA LYS A 65 17.066 1.733 6.402 1.00 0.00 C ATOM 1030 C LYS A 65 17.340 2.837 5.387 1.00 0.00 C ATOM 1031 O LYS A 65 16.574 3.794 5.274 1.00 0.00 O ATOM 1032 CB LYS A 65 16.491 0.504 5.693 1.00 0.00 C ATOM 1033 CG LYS A 65 15.643 0.844 4.480 1.00 0.00 C ATOM 1034 CD LYS A 65 14.585 -0.217 4.224 1.00 0.00 C ATOM 1035 CE LYS A 65 13.917 -0.023 2.871 1.00 0.00 C ATOM 1036 NZ LYS A 65 14.805 -0.437 1.749 1.00 0.00 N ATOM 0 H LYS A 65 15.450 2.864 7.113 1.00 0.00 H new ATOM 0 HA LYS A 65 18.007 1.462 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.311 -0.143 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 65 15.887 -0.064 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.162 1.810 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.283 0.940 3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.042 -1.206 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.832 -0.179 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.994 -0.601 2.836 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.642 1.025 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.265 -0.435 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.601 0.228 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.170 -1.394 1.930 1.00 0.00 H new ATOM 1050 N ASP A 66 18.435 2.697 4.649 1.00 0.00 N ATOM 1051 CA ASP A 66 18.809 3.682 3.640 1.00 0.00 C ATOM 1052 C ASP A 66 18.666 5.099 4.186 1.00 0.00 C ATOM 1053 O ASP A 66 18.174 5.993 3.499 1.00 0.00 O ATOM 1054 CB ASP A 66 17.945 3.515 2.389 1.00 0.00 C ATOM 1055 CG ASP A 66 18.554 2.550 1.390 1.00 0.00 C ATOM 1056 OD1 ASP A 66 18.428 1.325 1.595 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.156 3.022 0.402 1.00 0.00 O ATOM 0 H ASP A 66 19.080 1.911 4.730 1.00 0.00 H new ATOM 0 HA ASP A 66 19.853 3.517 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.957 3.158 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.807 4.486 1.914 1.00 0.00 H new ATOM 1062 N GLY A 67 19.100 5.297 5.427 1.00 0.00 N ATOM 1063 CA GLY A 67 19.011 6.607 6.044 1.00 0.00 C ATOM 1064 C GLY A 67 17.578 7.059 6.240 1.00 0.00 C ATOM 1065 O GLY A 67 17.270 8.245 6.116 1.00 0.00 O ATOM 0 H GLY A 67 19.512 4.573 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.517 6.586 7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.536 7.334 5.424 1.00 0.00 H new ATOM 1069 N LYS A 68 16.697 6.113 6.547 1.00 0.00 N ATOM 1070 CA LYS A 68 15.288 6.419 6.760 1.00 0.00 C ATOM 1071 C LYS A 68 14.948 6.410 8.247 1.00 0.00 C ATOM 1072 O LYS A 68 15.774 6.037 9.081 1.00 0.00 O ATOM 1073 CB LYS A 68 14.408 5.409 6.019 1.00 0.00 C ATOM 1074 CG LYS A 68 14.494 5.522 4.507 1.00 0.00 C ATOM 1075 CD LYS A 68 13.920 6.839 4.012 1.00 0.00 C ATOM 1076 CE LYS A 68 13.544 6.765 2.540 1.00 0.00 C ATOM 1077 NZ LYS A 68 13.100 8.086 2.014 1.00 0.00 N ATOM 0 H LYS A 68 16.935 5.127 6.654 1.00 0.00 H new ATOM 0 HA LYS A 68 15.095 7.417 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.697 4.401 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.372 5.548 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.535 5.437 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.954 4.694 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.040 7.098 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.650 7.635 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.400 6.414 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.747 6.034 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.853 7.994 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.268 8.410 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.869 8.778 2.119 1.00 0.00 H new ATOM 1091 N LYS A 69 13.728 6.822 8.573 1.00 0.00 N ATOM 1092 CA LYS A 69 13.277 6.859 9.959 1.00 0.00 C ATOM 1093 C LYS A 69 11.896 6.228 10.099 1.00 0.00 C ATOM 1094 O LYS A 69 11.617 5.534 11.078 1.00 0.00 O ATOM 1095 CB LYS A 69 13.243 8.302 10.467 1.00 0.00 C ATOM 1096 CG LYS A 69 14.592 8.999 10.412 1.00 0.00 C ATOM 1097 CD LYS A 69 14.839 9.629 9.051 1.00 0.00 C ATOM 1098 CE LYS A 69 16.022 10.584 9.086 1.00 0.00 C ATOM 1099 NZ LYS A 69 17.319 9.858 9.172 1.00 0.00 N ATOM 0 H LYS A 69 13.033 7.135 7.895 1.00 0.00 H new ATOM 0 HA LYS A 69 13.982 6.285 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.526 8.870 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.882 8.308 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.637 9.768 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.383 8.281 10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.023 8.847 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.946 10.165 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.013 11.206 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.923 11.253 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.100 10.544 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.339 9.284 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.426 9.238 8.344 1.00 0.00 H new ATOM 1113 N CYS A 70 11.037 6.471 9.116 1.00 0.00 N ATOM 1114 CA CYS A 70 9.684 5.925 9.130 1.00 0.00 C ATOM 1115 C CYS A 70 9.343 5.283 7.789 1.00 0.00 C ATOM 1116 O CYS A 70 8.933 5.965 6.848 1.00 0.00 O ATOM 1117 CB CYS A 70 8.671 7.023 9.455 1.00 0.00 C ATOM 1118 SG CYS A 70 8.867 7.743 11.102 1.00 0.00 S ATOM 0 H CYS A 70 11.253 7.042 8.299 1.00 0.00 H new ATOM 0 HA CYS A 70 9.637 5.158 9.903 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.758 7.815 8.711 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.665 6.612 9.367 1.00 0.00 H new ATOM 0 HG CYS A 70 8.681 9.028 11.039 1.00 0.00 H new ATOM 1124 N LEU A 71 9.516 3.969 7.707 1.00 0.00 N ATOM 1125 CA LEU A 71 9.229 3.234 6.480 1.00 0.00 C ATOM 1126 C LEU A 71 8.056 2.279 6.679 1.00 0.00 C ATOM 1127 O LEU A 71 7.671 1.979 7.809 1.00 0.00 O ATOM 1128 CB LEU A 71 10.464 2.454 6.027 1.00 0.00 C ATOM 1129 CG LEU A 71 11.543 3.264 5.308 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.863 2.509 5.302 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.107 3.590 3.887 1.00 0.00 C ATOM 0 H LEU A 71 9.854 3.390 8.476 1.00 0.00 H new ATOM 0 HA LEU A 71 8.960 3.956 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.913 1.984 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.139 1.651 5.365 1.00 0.00 H new ATOM 0 HG LEU A 71 11.686 4.200 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.619 3.101 4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.183 2.327 6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.735 1.557 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.887 4.167 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.935 2.664 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.186 4.173 3.914 1.00 0.00 H new ATOM 1143 N PHE A 72 7.492 1.804 5.573 1.00 0.00 N ATOM 1144 CA PHE A 72 6.363 0.882 5.626 1.00 0.00 C ATOM 1145 C PHE A 72 6.093 0.274 4.253 1.00 0.00 C ATOM 1146 O PHE A 72 6.000 0.987 3.253 1.00 0.00 O ATOM 1147 CB PHE A 72 5.112 1.603 6.132 1.00 0.00 C ATOM 1148 CG PHE A 72 4.507 2.534 5.121 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.659 2.054 4.137 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.786 3.891 5.155 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.100 2.908 3.205 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.230 4.750 4.227 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.387 4.258 3.250 1.00 0.00 C ATOM 0 H PHE A 72 7.798 2.042 4.630 1.00 0.00 H new ATOM 0 HA PHE A 72 6.615 0.078 6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.368 0.862 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.366 2.168 7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.432 0.999 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.446 4.281 5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.440 2.520 2.443 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.454 5.806 4.265 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.953 4.928 2.522 1.00 0.00 H new ATOM 1163 N LEU A 73 5.968 -1.048 4.213 1.00 0.00 N ATOM 1164 CA LEU A 73 5.710 -1.754 2.963 1.00 0.00 C ATOM 1165 C LEU A 73 4.396 -2.527 3.036 1.00 0.00 C ATOM 1166 O LEU A 73 3.959 -2.928 4.114 1.00 0.00 O ATOM 1167 CB LEU A 73 6.860 -2.711 2.647 1.00 0.00 C ATOM 1168 CG LEU A 73 6.616 -3.701 1.508 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.925 -4.051 0.815 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.935 -4.958 2.029 1.00 0.00 C ATOM 0 H LEU A 73 6.041 -1.652 5.031 1.00 0.00 H new ATOM 0 HA LEU A 73 5.632 -1.014 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.742 -2.119 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.094 -3.276 3.549 1.00 0.00 H new ATOM 0 HG LEU A 73 5.956 -3.230 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.732 -4.757 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.374 -3.146 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.608 -4.502 1.535 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.770 -5.651 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.569 -5.431 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.978 -4.694 2.478 1.00 0.00 H new ATOM 1182 N VAL A 74 3.772 -2.733 1.881 1.00 0.00 N ATOM 1183 CA VAL A 74 2.510 -3.460 1.813 1.00 0.00 C ATOM 1184 C VAL A 74 2.685 -4.799 1.105 1.00 0.00 C ATOM 1185 O VAL A 74 3.229 -4.865 0.002 1.00 0.00 O ATOM 1186 CB VAL A 74 1.429 -2.642 1.081 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.139 -3.440 0.971 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.189 -1.320 1.794 1.00 0.00 C ATOM 0 H VAL A 74 4.120 -2.407 0.979 1.00 0.00 H new ATOM 0 HA VAL A 74 2.189 -3.634 2.840 1.00 0.00 H new ATOM 0 HB VAL A 74 1.781 -2.426 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.613 -2.846 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.325 -4.358 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.221 -3.688 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.423 -0.755 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.858 -1.512 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.115 -0.745 1.815 1.00 0.00 H new ATOM 1198 N LYS A 75 2.219 -5.866 1.745 1.00 0.00 N ATOM 1199 CA LYS A 75 2.321 -7.205 1.177 1.00 0.00 C ATOM 1200 C LYS A 75 0.965 -7.687 0.673 1.00 0.00 C ATOM 1201 O LYS A 75 0.032 -7.875 1.454 1.00 0.00 O ATOM 1202 CB LYS A 75 2.867 -8.183 2.220 1.00 0.00 C ATOM 1203 CG LYS A 75 2.887 -9.627 1.747 1.00 0.00 C ATOM 1204 CD LYS A 75 4.148 -9.938 0.959 1.00 0.00 C ATOM 1205 CE LYS A 75 5.274 -10.403 1.870 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.241 -11.876 2.087 1.00 0.00 N ATOM 0 H LYS A 75 1.766 -5.829 2.658 1.00 0.00 H new ATOM 0 HA LYS A 75 3.008 -7.163 0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.879 -7.884 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.261 -8.114 3.123 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.821 -10.293 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.012 -9.820 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.935 -10.710 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.465 -9.050 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.233 -10.122 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.198 -9.893 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.024 -12.152 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.337 -12.142 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.339 -12.364 1.174 1.00 0.00 H new ATOM 1220 N CYS A 76 0.863 -7.887 -0.637 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.379 -8.349 -1.246 1.00 0.00 C ATOM 1222 C CYS A 76 -0.241 -9.786 -1.740 1.00 0.00 C ATOM 1223 O CYS A 76 0.833 -10.381 -1.659 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.772 -7.434 -2.408 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.836 -6.036 -1.926 1.00 0.00 S ATOM 0 H CYS A 76 1.626 -7.736 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.161 -8.318 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.134 -7.044 -2.872 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.288 -8.026 -3.164 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.336 -10.337 -2.253 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.339 -11.704 -2.760 1.00 0.00 C ATOM 1232 C PHE A 77 0.032 -12.081 -3.315 1.00 0.00 C ATOM 1233 O PHE A 77 0.760 -12.873 -2.716 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.403 -11.866 -3.847 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.744 -12.283 -3.315 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -4.508 -11.408 -2.559 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.242 -13.551 -3.570 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.742 -11.790 -2.068 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.475 -13.939 -3.082 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.227 -13.057 -2.331 1.00 0.00 C ATOM 0 H PHE A 77 -2.233 -9.857 -2.329 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.573 -12.372 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.511 -10.923 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.062 -12.606 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.135 -10.416 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.659 -14.245 -4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.327 -11.099 -1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.850 -14.931 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.192 -13.357 -1.950 1.00 0.00 H new ATOM 1250 N ASP A 78 0.377 -11.508 -4.462 1.00 0.00 N ATOM 1251 CA ASP A 78 1.660 -11.782 -5.099 1.00 0.00 C ATOM 1252 C ASP A 78 2.429 -10.489 -5.351 1.00 0.00 C ATOM 1253 O ASP A 78 3.659 -10.483 -5.393 1.00 0.00 O ATOM 1254 CB ASP A 78 1.450 -12.530 -6.416 1.00 0.00 C ATOM 1255 CG ASP A 78 1.116 -13.994 -6.204 1.00 0.00 C ATOM 1256 OD1 ASP A 78 2.055 -14.794 -6.009 1.00 0.00 O ATOM 1257 OD2 ASP A 78 -0.084 -14.339 -6.233 1.00 0.00 O ATOM 0 H ASP A 78 -0.214 -10.850 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 78 2.246 -12.407 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.645 -12.054 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.352 -12.450 -7.023 1.00 0.00 H new ATOM 1262 N LYS A 79 1.695 -9.394 -5.520 1.00 0.00 N ATOM 1263 CA LYS A 79 2.307 -8.094 -5.769 1.00 0.00 C ATOM 1264 C LYS A 79 2.751 -7.443 -4.463 1.00 0.00 C ATOM 1265 O LYS A 79 2.305 -7.828 -3.381 1.00 0.00 O ATOM 1266 CB LYS A 79 1.324 -7.176 -6.499 1.00 0.00 C ATOM 1267 CG LYS A 79 1.091 -7.565 -7.949 1.00 0.00 C ATOM 1268 CD LYS A 79 2.318 -7.295 -8.803 1.00 0.00 C ATOM 1269 CE LYS A 79 2.428 -8.288 -9.950 1.00 0.00 C ATOM 1270 NZ LYS A 79 3.750 -8.203 -10.631 1.00 0.00 N ATOM 0 H LYS A 79 0.676 -9.381 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 79 3.185 -8.248 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.370 -7.186 -5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.699 -6.153 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.833 -8.622 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.242 -7.008 -8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.270 -6.281 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.213 -7.352 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.279 -9.299 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.634 -8.098 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.786 -8.895 -11.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.882 -7.245 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.506 -8.409 -9.948 1.00 0.00 H new ATOM 1284 N THR A 80 3.632 -6.453 -4.569 1.00 0.00 N ATOM 1285 CA THR A 80 4.137 -5.749 -3.397 1.00 0.00 C ATOM 1286 C THR A 80 4.293 -4.259 -3.676 1.00 0.00 C ATOM 1287 O THR A 80 4.397 -3.840 -4.830 1.00 0.00 O ATOM 1288 CB THR A 80 5.493 -6.319 -2.940 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.371 -6.454 -4.062 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.312 -7.671 -2.266 1.00 0.00 C ATOM 0 H THR A 80 4.011 -6.121 -5.456 1.00 0.00 H new ATOM 0 HA THR A 80 3.405 -5.892 -2.602 1.00 0.00 H new ATOM 0 HB THR A 80 5.929 -5.627 -2.220 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.231 -6.815 -3.763 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.283 -8.054 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.667 -7.560 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.857 -8.369 -2.968 1.00 0.00 H new ATOM 1298 N PHE A 81 4.309 -3.461 -2.614 1.00 0.00 N ATOM 1299 CA PHE A 81 4.452 -2.016 -2.744 1.00 0.00 C ATOM 1300 C PHE A 81 5.142 -1.424 -1.518 1.00 0.00 C ATOM 1301 O PHE A 81 4.598 -1.451 -0.415 1.00 0.00 O ATOM 1302 CB PHE A 81 3.083 -1.362 -2.939 1.00 0.00 C ATOM 1303 CG PHE A 81 2.462 -1.655 -4.275 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.895 -2.892 -4.533 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.447 -0.693 -5.272 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.323 -3.165 -5.762 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.876 -0.960 -6.502 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.315 -2.198 -6.748 1.00 0.00 C ATOM 0 H PHE A 81 4.225 -3.791 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 81 5.071 -1.815 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.411 -1.704 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.185 -0.283 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.900 -3.652 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.886 0.276 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.883 -4.133 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.868 -0.201 -7.270 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.871 -2.409 -7.710 1.00 0.00 H new ATOM 1318 N GLU A 82 6.343 -0.893 -1.721 1.00 0.00 N ATOM 1319 CA GLU A 82 7.108 -0.296 -0.632 1.00 0.00 C ATOM 1320 C GLU A 82 7.028 1.227 -0.682 1.00 0.00 C ATOM 1321 O GLU A 82 7.314 1.840 -1.711 1.00 0.00 O ATOM 1322 CB GLU A 82 8.569 -0.744 -0.701 1.00 0.00 C ATOM 1323 CG GLU A 82 9.344 -0.491 0.582 1.00 0.00 C ATOM 1324 CD GLU A 82 10.547 -1.403 0.726 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.104 -1.819 -0.311 1.00 0.00 O ATOM 1326 OE2 GLU A 82 10.931 -1.699 1.877 1.00 0.00 O ATOM 0 H GLU A 82 6.807 -0.864 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 82 6.676 -0.634 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.603 -1.809 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.062 -0.223 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.675 0.547 0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.682 -0.632 1.436 1.00 0.00 H new ATOM 1333 N ILE A 83 6.638 1.830 0.435 1.00 0.00 N ATOM 1334 CA ILE A 83 6.521 3.281 0.520 1.00 0.00 C ATOM 1335 C ILE A 83 7.195 3.814 1.779 1.00 0.00 C ATOM 1336 O ILE A 83 7.268 3.125 2.796 1.00 0.00 O ATOM 1337 CB ILE A 83 5.047 3.728 0.511 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.311 3.109 -0.679 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.955 5.246 0.466 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.843 2.859 -0.417 1.00 0.00 C ATOM 0 H ILE A 83 6.397 1.337 1.295 1.00 0.00 H new ATOM 0 HA ILE A 83 7.022 3.690 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 83 4.571 3.381 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.411 3.769 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.791 2.166 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.907 5.547 0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.448 5.667 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.443 5.613 -0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.385 2.419 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.735 2.175 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.349 3.802 -0.183 1.00 0.00 H new ATOM 1352 N SER A 84 7.685 5.047 1.704 1.00 0.00 N ATOM 1353 CA SER A 84 8.355 5.674 2.838 1.00 0.00 C ATOM 1354 C SER A 84 7.567 6.882 3.335 1.00 0.00 C ATOM 1355 O SER A 84 6.877 7.547 2.563 1.00 0.00 O ATOM 1356 CB SER A 84 9.772 6.100 2.448 1.00 0.00 C ATOM 1357 OG SER A 84 10.398 6.814 3.500 1.00 0.00 O ATOM 0 H SER A 84 7.631 5.632 0.870 1.00 0.00 H new ATOM 0 HA SER A 84 8.412 4.943 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.364 5.219 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.735 6.722 1.554 1.00 0.00 H new ATOM 0 HG SER A 84 10.492 7.756 3.246 1.00 0.00 H new ATOM 1363 N ALA A 85 7.676 7.159 4.630 1.00 0.00 N ATOM 1364 CA ALA A 85 6.977 8.288 5.231 1.00 0.00 C ATOM 1365 C ALA A 85 7.961 9.326 5.759 1.00 0.00 C ATOM 1366 O ALA A 85 9.122 9.016 6.023 1.00 0.00 O ATOM 1367 CB ALA A 85 6.063 7.807 6.349 1.00 0.00 C ATOM 0 H ALA A 85 8.242 6.617 5.283 1.00 0.00 H new ATOM 0 HA ALA A 85 6.371 8.761 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.547 8.660 6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.330 7.109 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.657 7.307 7.115 1.00 0.00 H new ATOM 1373 N SER A 86 7.488 10.560 5.909 1.00 0.00 N ATOM 1374 CA SER A 86 8.329 11.645 6.401 1.00 0.00 C ATOM 1375 C SER A 86 8.335 11.679 7.927 1.00 0.00 C ATOM 1376 O SER A 86 9.378 11.507 8.558 1.00 0.00 O ATOM 1377 CB SER A 86 7.839 12.987 5.853 1.00 0.00 C ATOM 1378 OG SER A 86 8.758 14.024 6.146 1.00 0.00 O ATOM 0 H SER A 86 6.528 10.833 5.697 1.00 0.00 H new ATOM 0 HA SER A 86 9.347 11.468 6.054 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.700 12.914 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.867 13.226 6.284 1.00 0.00 H new ATOM 0 HG SER A 86 8.422 14.870 5.784 1.00 0.00 H new ATOM 1384 N ASP A 87 7.163 11.901 8.512 1.00 0.00 N ATOM 1385 CA ASP A 87 7.032 11.956 9.963 1.00 0.00 C ATOM 1386 C ASP A 87 6.186 10.795 10.477 1.00 0.00 C ATOM 1387 O ASP A 87 5.239 10.364 9.819 1.00 0.00 O ATOM 1388 CB ASP A 87 6.408 13.286 10.390 1.00 0.00 C ATOM 1389 CG ASP A 87 7.285 14.474 10.045 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.256 14.730 10.788 1.00 0.00 O ATOM 1391 OD2 ASP A 87 7.000 15.147 9.033 1.00 0.00 O ATOM 0 H ASP A 87 6.291 12.046 8.004 1.00 0.00 H new ATOM 0 HA ASP A 87 8.029 11.875 10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.438 13.401 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.228 13.271 11.465 1.00 0.00 H new ATOM 1396 N LYS A 88 6.535 10.292 11.656 1.00 0.00 N ATOM 1397 CA LYS A 88 5.809 9.181 12.260 1.00 0.00 C ATOM 1398 C LYS A 88 4.304 9.347 12.070 1.00 0.00 C ATOM 1399 O LYS A 88 3.595 8.385 11.776 1.00 0.00 O ATOM 1400 CB LYS A 88 6.137 9.080 13.751 1.00 0.00 C ATOM 1401 CG LYS A 88 5.642 10.263 14.564 1.00 0.00 C ATOM 1402 CD LYS A 88 5.951 10.092 16.042 1.00 0.00 C ATOM 1403 CE LYS A 88 5.037 9.060 16.686 1.00 0.00 C ATOM 1404 NZ LYS A 88 4.910 9.271 18.155 1.00 0.00 N ATOM 0 H LYS A 88 7.317 10.636 12.213 1.00 0.00 H new ATOM 0 HA LYS A 88 6.122 8.263 11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.697 8.166 14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.217 8.993 13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.108 11.178 14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.567 10.376 14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.990 9.787 16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.838 11.049 16.552 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.050 9.111 16.225 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.427 8.060 16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.279 8.548 18.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.848 9.197 18.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.514 10.215 18.337 1.00 0.00 H new ATOM 1418 N LYS A 89 3.823 10.574 12.238 1.00 0.00 N ATOM 1419 CA LYS A 89 2.404 10.868 12.083 1.00 0.00 C ATOM 1420 C LYS A 89 1.873 10.308 10.768 1.00 0.00 C ATOM 1421 O LYS A 89 0.918 9.531 10.752 1.00 0.00 O ATOM 1422 CB LYS A 89 2.165 12.379 12.140 1.00 0.00 C ATOM 1423 CG LYS A 89 0.787 12.758 12.652 1.00 0.00 C ATOM 1424 CD LYS A 89 0.674 12.553 14.154 1.00 0.00 C ATOM 1425 CE LYS A 89 1.114 13.791 14.920 1.00 0.00 C ATOM 1426 NZ LYS A 89 1.571 13.457 16.297 1.00 0.00 N ATOM 0 H LYS A 89 4.396 11.382 12.482 1.00 0.00 H new ATOM 0 HA LYS A 89 1.868 10.391 12.904 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.920 12.834 12.782 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.301 12.798 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.582 13.801 12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.032 12.158 12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.357 12.311 14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.286 11.702 14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.921 14.285 14.379 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.286 14.498 14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.863 14.327 16.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.793 13.008 16.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.377 12.802 16.246 1.00 0.00 H new ATOM 1440 N LYS A 90 2.498 10.706 9.665 1.00 0.00 N ATOM 1441 CA LYS A 90 2.091 10.242 8.344 1.00 0.00 C ATOM 1442 C LYS A 90 2.153 8.720 8.259 1.00 0.00 C ATOM 1443 O LYS A 90 1.193 8.072 7.841 1.00 0.00 O ATOM 1444 CB LYS A 90 2.985 10.860 7.266 1.00 0.00 C ATOM 1445 CG LYS A 90 2.558 12.258 6.851 1.00 0.00 C ATOM 1446 CD LYS A 90 3.234 12.686 5.559 1.00 0.00 C ATOM 1447 CE LYS A 90 3.328 14.201 5.455 1.00 0.00 C ATOM 1448 NZ LYS A 90 4.064 14.629 4.233 1.00 0.00 N ATOM 0 H LYS A 90 3.289 11.350 9.660 1.00 0.00 H new ATOM 0 HA LYS A 90 1.061 10.556 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.011 10.896 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.983 10.213 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.476 12.286 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.804 12.965 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.234 12.254 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.676 12.296 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.325 14.627 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.831 14.595 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.106 15.668 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.030 14.244 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.571 14.275 3.389 1.00 0.00 H new ATOM 1462 N LYS A 91 3.287 8.155 8.659 1.00 0.00 N ATOM 1463 CA LYS A 91 3.474 6.710 8.630 1.00 0.00 C ATOM 1464 C LYS A 91 2.341 6.000 9.365 1.00 0.00 C ATOM 1465 O LYS A 91 1.539 5.296 8.753 1.00 0.00 O ATOM 1466 CB LYS A 91 4.818 6.336 9.261 1.00 0.00 C ATOM 1467 CG LYS A 91 5.110 4.846 9.230 1.00 0.00 C ATOM 1468 CD LYS A 91 4.428 4.120 10.377 1.00 0.00 C ATOM 1469 CE LYS A 91 5.173 2.849 10.754 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.250 3.111 11.749 1.00 0.00 N ATOM 0 H LYS A 91 4.091 8.677 9.007 1.00 0.00 H new ATOM 0 HA LYS A 91 3.466 6.389 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.615 6.865 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.832 6.679 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.772 4.428 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.187 4.684 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.370 4.779 11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.404 3.873 10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.470 2.124 11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.606 2.403 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.810 2.246 11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.869 3.870 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.825 3.400 12.653 1.00 0.00 H new ATOM 1484 N GLN A 92 2.282 6.193 10.679 1.00 0.00 N ATOM 1485 CA GLN A 92 1.246 5.571 11.495 1.00 0.00 C ATOM 1486 C GLN A 92 -0.135 5.803 10.892 1.00 0.00 C ATOM 1487 O GLN A 92 -0.897 4.859 10.683 1.00 0.00 O ATOM 1488 CB GLN A 92 1.292 6.123 12.921 1.00 0.00 C ATOM 1489 CG GLN A 92 0.096 5.719 13.769 1.00 0.00 C ATOM 1490 CD GLN A 92 0.212 4.306 14.305 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.523 3.372 13.566 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.037 4.142 15.599 1.00 0.00 N ATOM 0 H GLN A 92 2.938 6.774 11.200 1.00 0.00 H new ATOM 0 HA GLN A 92 1.435 4.498 11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.205 5.777 13.406 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.346 7.211 12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.004 6.413 14.603 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.813 5.804 13.173 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.292 4.944 16.175 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.026 3.214 16.017 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.450 7.064 10.614 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.741 7.418 10.035 1.00 0.00 C ATOM 1503 C GLU A 93 -2.040 6.563 8.808 1.00 0.00 C ATOM 1504 O GLU A 93 -3.028 5.829 8.775 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.765 8.900 9.656 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.019 9.826 10.833 1.00 0.00 C ATOM 1507 CD GLU A 93 -2.263 11.261 10.406 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -1.420 11.811 9.667 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.297 11.832 10.811 1.00 0.00 O ATOM 0 H GLU A 93 0.170 7.857 10.780 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.510 7.229 10.784 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.813 9.164 9.196 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.538 9.061 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.882 9.466 11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.164 9.792 11.508 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.180 6.663 7.801 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.352 5.899 6.570 1.00 0.00 C ATOM 1518 C TRP A 94 -1.622 4.430 6.875 1.00 0.00 C ATOM 1519 O TRP A 94 -2.670 3.894 6.512 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.111 6.030 5.687 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.184 7.177 4.724 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.346 8.424 4.894 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.827 7.182 3.445 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.071 9.204 3.796 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.646 8.465 2.893 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.535 6.227 2.711 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.149 8.815 1.643 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.034 6.576 1.470 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.839 7.861 0.946 1.00 0.00 C ATOM 0 H TRP A 94 -0.357 7.265 7.812 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.212 6.304 6.037 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.766 6.154 6.322 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.028 5.104 5.128 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.899 8.749 5.763 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.355 10.176 3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.690 5.234 3.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.000 9.805 1.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.584 5.846 0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.241 8.103 -0.027 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.672 3.784 7.542 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.809 2.377 7.896 1.00 0.00 C ATOM 1542 C ILE A 95 -2.157 2.105 8.557 1.00 0.00 C ATOM 1543 O ILE A 95 -2.865 1.171 8.184 1.00 0.00 O ATOM 1544 CB ILE A 95 0.316 1.922 8.844 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.682 2.145 8.192 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.134 0.459 9.219 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.788 1.316 8.809 1.00 0.00 C ATOM 0 H ILE A 95 0.201 4.213 7.848 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.741 1.810 6.967 1.00 0.00 H new ATOM 0 HB ILE A 95 0.267 2.518 9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.612 1.910 7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.944 3.200 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.937 0.153 9.889 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.826 0.328 9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.160 -0.154 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.728 1.525 8.298 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.886 1.568 9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.548 0.257 8.709 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.504 2.930 9.540 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.767 2.779 10.252 1.00 0.00 C ATOM 1561 C GLN A 96 -4.947 2.845 9.288 1.00 0.00 C ATOM 1562 O GLN A 96 -5.885 2.054 9.385 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.906 3.863 11.323 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.339 3.460 12.674 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.344 2.715 13.530 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -5.084 3.320 14.307 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.376 1.395 13.392 1.00 0.00 N ATOM 0 H GLN A 96 -1.929 3.709 9.861 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.769 1.801 10.733 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.401 4.766 10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.961 4.113 11.441 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.461 2.833 12.523 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.006 4.352 13.205 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.744 0.935 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.032 0.840 13.942 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.893 3.793 8.359 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.957 3.962 7.376 1.00 0.00 C ATOM 1578 C ALA A 97 -6.039 2.757 6.445 1.00 0.00 C ATOM 1579 O ALA A 97 -7.112 2.184 6.250 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.738 5.236 6.575 1.00 0.00 C ATOM 0 H ALA A 97 -4.124 4.456 8.266 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.904 4.041 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.540 5.349 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.736 6.093 7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.781 5.180 6.057 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.901 2.377 5.874 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.846 1.240 4.964 1.00 0.00 C ATOM 1588 C ILE A 98 -5.322 -0.036 5.649 1.00 0.00 C ATOM 1589 O ILE A 98 -6.251 -0.695 5.182 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.421 1.019 4.425 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.921 2.277 3.712 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.389 -0.177 3.485 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.416 2.431 3.742 1.00 0.00 C ATOM 0 H ILE A 98 -4.005 2.840 6.026 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.509 1.471 4.130 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.759 0.813 5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.255 2.254 2.675 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.377 3.152 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.375 -0.320 3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.708 -1.070 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.062 0.001 2.646 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.133 3.344 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.076 2.486 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.953 1.574 3.253 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.680 -0.379 6.762 1.00 0.00 N ATOM 1606 CA HIS A 99 -5.039 -1.575 7.514 1.00 0.00 C ATOM 1607 C HIS A 99 -6.553 -1.685 7.670 1.00 0.00 C ATOM 1608 O HIS A 99 -7.144 -2.723 7.372 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.373 -1.557 8.890 1.00 0.00 C ATOM 1610 CG HIS A 99 -4.262 -2.912 9.520 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -3.384 -3.195 10.545 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.925 -4.064 9.265 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -3.511 -4.464 10.892 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.441 -5.013 10.131 1.00 0.00 N ATOM 0 H HIS A 99 -3.909 0.155 7.162 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.685 -2.443 6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.376 -1.126 8.796 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.942 -0.903 9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.692 -4.210 8.519 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.950 -4.967 11.666 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.749 -5.984 10.179 1.00 0.00 H new ATOM 1623 N SER A 100 -7.174 -0.608 8.140 1.00 0.00 N ATOM 1624 CA SER A 100 -8.619 -0.585 8.340 1.00 0.00 C ATOM 1625 C SER A 100 -9.353 -0.855 7.030 1.00 0.00 C ATOM 1626 O SER A 100 -10.281 -1.663 6.979 1.00 0.00 O ATOM 1627 CB SER A 100 -9.054 0.765 8.912 1.00 0.00 C ATOM 1628 OG SER A 100 -8.414 1.025 10.150 1.00 0.00 O ATOM 0 H SER A 100 -6.700 0.260 8.389 1.00 0.00 H new ATOM 0 HA SER A 100 -8.876 -1.372 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.816 1.558 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.135 0.774 9.049 1.00 0.00 H new ATOM 0 HG SER A 100 -7.518 1.387 9.986 1.00 0.00 H new ATOM 1634 N THR A 101 -8.930 -0.172 5.970 1.00 0.00 N ATOM 1635 CA THR A 101 -9.547 -0.336 4.660 1.00 0.00 C ATOM 1636 C THR A 101 -9.689 -1.811 4.300 1.00 0.00 C ATOM 1637 O THR A 101 -10.733 -2.241 3.809 1.00 0.00 O ATOM 1638 CB THR A 101 -8.730 0.372 3.562 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.561 1.755 3.893 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.419 0.250 2.211 1.00 0.00 C ATOM 0 H THR A 101 -8.163 0.500 5.994 1.00 0.00 H new ATOM 0 HA THR A 101 -10.536 0.118 4.717 1.00 0.00 H new ATOM 0 HB THR A 101 -7.754 -0.109 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.945 1.837 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.824 0.757 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.521 -0.803 1.948 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.407 0.708 2.264 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.634 -2.580 4.547 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.643 -4.007 4.250 1.00 0.00 C ATOM 1650 C ILE A 102 -9.594 -4.755 5.178 1.00 0.00 C ATOM 1651 O ILE A 102 -10.277 -5.691 4.762 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.235 -4.617 4.375 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.289 -3.986 3.351 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.293 -6.126 4.191 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.843 -3.966 3.795 1.00 0.00 C ATOM 0 H ILE A 102 -7.762 -2.239 4.952 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.985 -4.113 3.221 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.852 -4.407 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.365 -4.535 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.613 -2.965 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.290 -6.542 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.937 -6.561 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.693 -6.357 3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.231 -3.505 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.754 -3.392 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.501 -4.987 3.968 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.634 -4.336 6.439 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.503 -4.965 7.427 1.00 0.00 C ATOM 1669 C HIS A 103 -11.925 -5.099 6.892 1.00 0.00 C ATOM 1670 O HIS A 103 -12.554 -6.150 7.028 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.507 -4.154 8.723 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.423 -4.706 9.772 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -10.970 -5.254 10.954 1.00 0.00 N ATOM 1674 CD2 HIS A 103 -12.773 -4.792 9.812 1.00 0.00 C ATOM 1675 CE1 HIS A 103 -12.002 -5.654 11.675 1.00 0.00 C ATOM 1676 NE2 HIS A 103 -13.108 -5.385 11.005 1.00 0.00 N ATOM 0 H HIS A 103 -9.075 -3.563 6.801 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.116 -5.963 7.633 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.493 -4.116 9.121 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.800 -3.128 8.499 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.991 -5.337 11.228 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.459 -4.457 9.048 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.950 -6.122 12.647 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.427 -4.029 6.285 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.776 -4.027 5.730 1.00 0.00 C ATOM 1687 C LEU A 104 -13.926 -5.101 4.657 1.00 0.00 C ATOM 1688 O LEU A 104 -15.002 -5.674 4.482 1.00 0.00 O ATOM 1689 CB LEU A 104 -14.105 -2.654 5.143 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.916 -1.460 6.080 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -14.072 -0.153 5.318 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.905 -1.527 7.235 1.00 0.00 C ATOM 0 H LEU A 104 -11.920 -3.152 6.165 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.474 -4.247 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.483 -2.500 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -15.141 -2.664 4.805 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.906 -1.500 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.934 0.685 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.325 -0.102 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -15.069 -0.104 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.756 -0.670 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.922 -1.512 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.746 -2.447 7.798 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.839 -5.371 3.943 1.00 0.00 N ATOM 1705 CA LEU A 105 -12.847 -6.378 2.887 1.00 0.00 C ATOM 1706 C LEU A 105 -12.895 -7.784 3.477 1.00 0.00 C ATOM 1707 O LEU A 105 -13.498 -8.690 2.902 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.610 -6.226 2.000 1.00 0.00 C ATOM 1709 CG LEU A 105 -11.613 -5.035 1.042 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.208 -4.757 0.532 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -12.565 -5.286 -0.118 1.00 0.00 C ATOM 0 H LEU A 105 -11.941 -4.907 4.076 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.741 -6.227 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.734 -6.147 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.494 -7.138 1.414 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.960 -4.156 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.230 -3.906 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.553 -4.532 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.832 -5.634 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.554 -4.428 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.249 -6.176 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.575 -5.434 0.265 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.257 -7.958 4.630 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.229 -9.252 5.301 1.00 0.00 C ATOM 1725 C LYS A 106 -13.626 -9.658 5.760 1.00 0.00 C ATOM 1726 O LYS A 106 -14.037 -10.807 5.591 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.279 -9.208 6.500 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.919 -8.614 6.177 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.212 -8.125 7.430 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.301 -9.196 8.009 1.00 0.00 C ATOM 1731 NZ LYS A 106 -9.037 -10.116 8.920 1.00 0.00 N ATOM 0 H LYS A 106 -11.752 -7.219 5.119 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.870 -9.995 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.740 -8.625 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.143 -10.220 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.303 -9.363 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.039 -7.785 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.627 -7.236 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.951 -7.832 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.853 -9.770 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.484 -8.723 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.595 -10.099 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.028 -9.809 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.003 -11.083 8.539 1.00 0.00 H new ATOM 1745 N LEU A 107 -14.352 -8.708 6.340 1.00 0.00 N ATOM 1746 CA LEU A 107 -15.704 -8.966 6.822 1.00 0.00 C ATOM 1747 C LEU A 107 -16.506 -9.761 5.797 1.00 0.00 C ATOM 1748 O LEU A 107 -17.091 -10.795 6.118 1.00 0.00 O ATOM 1749 CB LEU A 107 -16.416 -7.648 7.132 1.00 0.00 C ATOM 1750 CG LEU A 107 -16.268 -7.125 8.562 1.00 0.00 C ATOM 1751 CD1 LEU A 107 -17.100 -7.959 9.524 1.00 0.00 C ATOM 1752 CD2 LEU A 107 -14.805 -7.125 8.981 1.00 0.00 C ATOM 0 H LEU A 107 -14.027 -7.753 6.488 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.631 -9.556 7.735 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.042 -6.887 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.478 -7.773 6.920 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.634 -6.099 8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.982 -7.572 10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.150 -7.908 9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.765 -8.996 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.719 -6.750 10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.413 -8.141 8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.234 -6.484 8.309 1.00 0.00 H new ATOM 1764 N GLY A 108 -16.526 -9.272 4.561 1.00 0.00 N ATOM 1765 CA GLY A 108 -17.257 -9.951 3.506 1.00 0.00 C ATOM 1766 C GLY A 108 -16.609 -11.260 3.102 1.00 0.00 C ATOM 1767 O GLY A 108 -16.819 -12.289 3.744 1.00 0.00 O ATOM 0 H GLY A 108 -16.049 -8.418 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -18.277 -10.142 3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.323 -9.298 2.636 1.00 0.00 H new ATOM 1771 N SER A 109 -15.820 -11.223 2.033 1.00 0.00 N ATOM 1772 CA SER A 109 -15.143 -12.417 1.540 1.00 0.00 C ATOM 1773 C SER A 109 -14.734 -13.325 2.696 1.00 0.00 C ATOM 1774 O SER A 109 -13.846 -12.990 3.479 1.00 0.00 O ATOM 1775 CB SER A 109 -13.911 -12.029 0.721 1.00 0.00 C ATOM 1776 OG SER A 109 -13.210 -13.178 0.277 1.00 0.00 O ATOM 0 H SER A 109 -15.634 -10.379 1.491 1.00 0.00 H new ATOM 0 HA SER A 109 -15.838 -12.961 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.215 -11.431 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.250 -11.407 1.325 1.00 0.00 H new ATOM 0 HG SER A 109 -12.424 -13.321 0.845 1.00 0.00 H new ATOM 1782 N SER A 110 -15.389 -14.478 2.794 1.00 0.00 N ATOM 1783 CA SER A 110 -15.098 -15.434 3.856 1.00 0.00 C ATOM 1784 C SER A 110 -13.603 -15.734 3.921 1.00 0.00 C ATOM 1785 O SER A 110 -12.954 -15.939 2.897 1.00 0.00 O ATOM 1786 CB SER A 110 -15.880 -16.730 3.632 1.00 0.00 C ATOM 1787 OG SER A 110 -15.434 -17.401 2.466 1.00 0.00 O ATOM 0 H SER A 110 -16.124 -14.772 2.151 1.00 0.00 H new ATOM 0 HA SER A 110 -15.404 -14.992 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 110 -15.764 -17.382 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.943 -16.506 3.542 1.00 0.00 H new ATOM 0 HG SER A 110 -15.948 -18.227 2.347 1.00 0.00 H new ATOM 1793 N GLY A 111 -13.064 -15.757 5.136 1.00 0.00 N ATOM 1794 CA GLY A 111 -11.650 -16.032 5.315 1.00 0.00 C ATOM 1795 C GLY A 111 -11.401 -17.252 6.180 1.00 0.00 C ATOM 1796 O GLY A 111 -10.928 -17.151 7.312 1.00 0.00 O ATOM 0 H GLY A 111 -13.581 -15.590 5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.186 -16.181 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.169 -15.165 5.768 1.00 0.00 H new ATOM 1800 N PRO A 112 -11.726 -18.438 5.644 1.00 0.00 N ATOM 1801 CA PRO A 112 -11.545 -19.705 6.359 1.00 0.00 C ATOM 1802 C PRO A 112 -10.074 -20.072 6.524 1.00 0.00 C ATOM 1803 O PRO A 112 -9.188 -19.337 6.089 1.00 0.00 O ATOM 1804 CB PRO A 112 -12.252 -20.723 5.460 1.00 0.00 C ATOM 1805 CG PRO A 112 -12.209 -20.121 4.098 1.00 0.00 C ATOM 1806 CD PRO A 112 -12.295 -18.634 4.300 1.00 0.00 C ATOM 0 HA PRO A 112 -11.943 -19.662 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -11.747 -21.689 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -13.278 -20.893 5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.289 -20.392 3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -13.036 -20.480 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -11.730 -18.092 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -13.324 -18.280 4.244 1.00 0.00 H new ATOM 1814 N SER A 113 -9.821 -21.215 7.154 1.00 0.00 N ATOM 1815 CA SER A 113 -8.457 -21.678 7.380 1.00 0.00 C ATOM 1816 C SER A 113 -7.642 -21.613 6.092 1.00 0.00 C ATOM 1817 O SER A 113 -8.104 -22.029 5.030 1.00 0.00 O ATOM 1818 CB SER A 113 -8.465 -23.109 7.921 1.00 0.00 C ATOM 1819 OG SER A 113 -9.290 -23.216 9.068 1.00 0.00 O ATOM 0 H SER A 113 -10.543 -21.837 7.517 1.00 0.00 H new ATOM 0 HA SER A 113 -7.993 -21.022 8.117 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.820 -23.791 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.448 -23.412 8.171 1.00 0.00 H new ATOM 0 HG SER A 113 -9.280 -24.140 9.393 1.00 0.00 H new ATOM 1825 N SER A 114 -6.425 -21.088 6.196 1.00 0.00 N ATOM 1826 CA SER A 114 -5.545 -20.964 5.040 1.00 0.00 C ATOM 1827 C SER A 114 -4.286 -21.807 5.222 1.00 0.00 C ATOM 1828 O SER A 114 -3.181 -21.370 4.904 1.00 0.00 O ATOM 1829 CB SER A 114 -5.163 -19.500 4.817 1.00 0.00 C ATOM 1830 OG SER A 114 -4.471 -18.977 5.937 1.00 0.00 O ATOM 0 H SER A 114 -6.026 -20.742 7.069 1.00 0.00 H new ATOM 0 HA SER A 114 -6.083 -21.329 4.165 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.538 -19.415 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.061 -18.911 4.633 1.00 0.00 H new ATOM 0 HG SER A 114 -4.237 -18.040 5.769 1.00 0.00 H new ATOM 1836 N GLY A 115 -4.463 -23.020 5.738 1.00 0.00 N ATOM 1837 CA GLY A 115 -3.335 -23.906 5.955 1.00 0.00 C ATOM 1838 C GLY A 115 -3.004 -24.074 7.425 1.00 0.00 C ATOM 1839 O GLY A 115 -1.953 -24.613 7.774 1.00 0.00 O ATOM 0 H GLY A 115 -5.368 -23.404 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.555 -24.882 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.463 -23.514 5.432 1.00 0.00 H new TER 1843 GLY A 115