USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 842 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 58 TYR OH : rot 103:sc= 0.0143 USER MOD Set 1.2: A 62 THR OG1 : rot 176:sc= 0.235 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.135 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.176 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -124:sc= -0.949 (180deg=-2.32!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 156:sc= -0.462 (180deg=-2.45) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.175) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.86) USER MOD Single : A 40 TYR OH : rot 130:sc= -0.686 USER MOD Single : A 42 GLN : amide:sc=-0.00832 X(o=-0.0083,f=-0.34) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.2) USER MOD Single : A 52 GLN : amide:sc= -0.34 K(o=-0.34,f=-1.1) USER MOD Single : A 53 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.27) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.00039) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.469 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.502) USER MOD Single : A 82 TYR OH : rot 30:sc= -0.106 USER MOD Single : A 86 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.12) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00207) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.602 -29.128 -0.640 1.00 0.00 N ATOM 2 CA GLY A 1 -0.515 -29.163 0.324 1.00 0.00 C ATOM 3 C GLY A 1 0.419 -27.965 0.141 1.00 0.00 C ATOM 4 O GLY A 1 0.117 -27.049 -0.621 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.510 -29.222 -0.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.581 -28.224 -1.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.494 -29.912 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.921 -29.161 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.048 -30.089 0.209 1.00 0.00 H new ATOM 8 N SER A 2 1.534 -28.011 0.855 1.00 0.00 N ATOM 9 CA SER A 2 2.514 -26.940 0.782 1.00 0.00 C ATOM 10 C SER A 2 1.856 -25.604 1.132 1.00 0.00 C ATOM 11 O SER A 2 0.631 -25.509 1.197 1.00 0.00 O ATOM 12 CB SER A 2 3.150 -26.870 -0.608 1.00 0.00 C ATOM 13 OG SER A 2 4.531 -26.526 -0.546 1.00 0.00 O ATOM 0 H SER A 2 1.781 -28.773 1.487 1.00 0.00 H new ATOM 0 HA SER A 2 3.304 -27.149 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.038 -27.833 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.620 -26.134 -1.213 1.00 0.00 H new ATOM 0 HG SER A 2 4.901 -26.493 -1.453 1.00 0.00 H new ATOM 19 N SER A 3 2.698 -24.605 1.348 1.00 0.00 N ATOM 20 CA SER A 3 2.214 -23.278 1.690 1.00 0.00 C ATOM 21 C SER A 3 1.319 -22.743 0.571 1.00 0.00 C ATOM 22 O SER A 3 1.772 -22.564 -0.559 1.00 0.00 O ATOM 23 CB SER A 3 3.376 -22.317 1.947 1.00 0.00 C ATOM 24 OG SER A 3 2.922 -21.014 2.304 1.00 0.00 O ATOM 0 H SER A 3 3.713 -24.687 1.293 1.00 0.00 H new ATOM 0 HA SER A 3 1.631 -23.353 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.004 -22.713 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.997 -22.252 1.054 1.00 0.00 H new ATOM 0 HG SER A 3 3.693 -20.431 2.462 1.00 0.00 H new ATOM 30 N GLY A 4 0.065 -22.501 0.923 1.00 0.00 N ATOM 31 CA GLY A 4 -0.897 -21.990 -0.038 1.00 0.00 C ATOM 32 C GLY A 4 -0.603 -20.529 -0.384 1.00 0.00 C ATOM 33 O GLY A 4 0.336 -19.938 0.147 1.00 0.00 O ATOM 0 H GLY A 4 -0.307 -22.649 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.868 -22.595 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.904 -22.075 0.370 1.00 0.00 H new ATOM 37 N SER A 5 -1.425 -19.987 -1.271 1.00 0.00 N ATOM 38 CA SER A 5 -1.265 -18.606 -1.694 1.00 0.00 C ATOM 39 C SER A 5 -2.560 -18.101 -2.332 1.00 0.00 C ATOM 40 O SER A 5 -2.792 -18.310 -3.522 1.00 0.00 O ATOM 41 CB SER A 5 -0.098 -18.461 -2.673 1.00 0.00 C ATOM 42 OG SER A 5 1.082 -17.986 -2.032 1.00 0.00 O ATOM 0 H SER A 5 -2.204 -20.479 -1.708 1.00 0.00 H new ATOM 0 HA SER A 5 -1.042 -18.002 -0.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.106 -19.425 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.378 -17.774 -3.471 1.00 0.00 H new ATOM 0 HG SER A 5 1.196 -18.446 -1.174 1.00 0.00 H new ATOM 48 N SER A 6 -3.370 -17.446 -1.513 1.00 0.00 N ATOM 49 CA SER A 6 -4.635 -16.909 -1.983 1.00 0.00 C ATOM 50 C SER A 6 -4.659 -15.390 -1.802 1.00 0.00 C ATOM 51 O SER A 6 -3.977 -14.854 -0.930 1.00 0.00 O ATOM 52 CB SER A 6 -5.813 -17.549 -1.245 1.00 0.00 C ATOM 53 OG SER A 6 -5.774 -18.972 -1.311 1.00 0.00 O ATOM 0 H SER A 6 -3.174 -17.275 -0.527 1.00 0.00 H new ATOM 0 HA SER A 6 -4.733 -17.144 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.802 -17.234 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.748 -17.191 -1.676 1.00 0.00 H new ATOM 0 HG SER A 6 -6.541 -19.343 -0.827 1.00 0.00 H new ATOM 59 N GLY A 7 -5.450 -14.739 -2.642 1.00 0.00 N ATOM 60 CA GLY A 7 -5.572 -13.292 -2.586 1.00 0.00 C ATOM 61 C GLY A 7 -5.540 -12.684 -3.990 1.00 0.00 C ATOM 62 O GLY A 7 -6.138 -13.226 -4.918 1.00 0.00 O ATOM 0 H GLY A 7 -6.013 -15.187 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.504 -13.021 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.760 -12.878 -1.988 1.00 0.00 H new ATOM 66 N MET A 8 -4.837 -11.567 -4.101 1.00 0.00 N ATOM 67 CA MET A 8 -4.719 -10.880 -5.376 1.00 0.00 C ATOM 68 C MET A 8 -3.442 -10.041 -5.432 1.00 0.00 C ATOM 69 O MET A 8 -2.644 -10.056 -4.495 1.00 0.00 O ATOM 70 CB MET A 8 -5.935 -9.974 -5.582 1.00 0.00 C ATOM 71 CG MET A 8 -6.372 -9.336 -4.262 1.00 0.00 C ATOM 72 SD MET A 8 -6.895 -7.652 -4.542 1.00 0.00 S ATOM 73 CE MET A 8 -8.268 -7.561 -3.405 1.00 0.00 C ATOM 0 H MET A 8 -4.343 -11.120 -3.329 1.00 0.00 H new ATOM 0 HA MET A 8 -4.674 -11.628 -6.167 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.694 -9.194 -6.305 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.758 -10.553 -6.000 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.188 -9.911 -3.823 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.548 -9.356 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.167 -7.263 -3.944 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.426 -8.537 -2.947 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.050 -6.827 -2.629 1.00 0.00 H new ATOM 83 N THR A 9 -3.287 -9.329 -6.538 1.00 0.00 N ATOM 84 CA THR A 9 -2.119 -8.484 -6.727 1.00 0.00 C ATOM 85 C THR A 9 -2.545 -7.049 -7.044 1.00 0.00 C ATOM 86 O THR A 9 -2.898 -6.740 -8.181 1.00 0.00 O ATOM 87 CB THR A 9 -1.251 -9.116 -7.818 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.394 -10.006 -7.107 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.294 -8.110 -8.460 1.00 0.00 C ATOM 0 H THR A 9 -3.950 -9.319 -7.313 1.00 0.00 H new ATOM 0 HA THR A 9 -1.525 -8.419 -5.815 1.00 0.00 H new ATOM 0 HB THR A 9 -1.891 -9.549 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.202 -10.460 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.298 -8.609 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.867 -7.301 -8.913 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.370 -7.702 -7.698 1.00 0.00 H new ATOM 97 N VAL A 10 -2.497 -6.212 -6.019 1.00 0.00 N ATOM 98 CA VAL A 10 -2.873 -4.817 -6.174 1.00 0.00 C ATOM 99 C VAL A 10 -1.612 -3.970 -6.354 1.00 0.00 C ATOM 100 O VAL A 10 -0.840 -3.791 -5.412 1.00 0.00 O ATOM 101 CB VAL A 10 -3.729 -4.371 -4.987 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.081 -2.885 -5.092 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.992 -5.226 -4.868 1.00 0.00 C ATOM 0 H VAL A 10 -2.203 -6.473 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.484 -4.683 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.142 -4.513 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.690 -2.594 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.165 -2.294 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.639 -2.707 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.582 -4.887 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.583 -5.131 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.713 -6.270 -4.724 1.00 0.00 H new ATOM 113 N ARG A 11 -1.441 -3.471 -7.569 1.00 0.00 N ATOM 114 CA ARG A 11 -0.286 -2.648 -7.884 1.00 0.00 C ATOM 115 C ARG A 11 -0.501 -1.218 -7.383 1.00 0.00 C ATOM 116 O ARG A 11 -1.403 -0.523 -7.848 1.00 0.00 O ATOM 117 CB ARG A 11 -0.025 -2.619 -9.392 1.00 0.00 C ATOM 118 CG ARG A 11 0.644 -3.913 -9.858 1.00 0.00 C ATOM 119 CD ARG A 11 0.924 -3.876 -11.361 1.00 0.00 C ATOM 120 NE ARG A 11 1.992 -4.841 -11.702 1.00 0.00 N ATOM 121 CZ ARG A 11 2.454 -5.044 -12.943 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.944 -4.349 -13.969 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.426 -5.941 -13.159 1.00 0.00 N ATOM 0 H ARG A 11 -2.083 -3.621 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 11 0.579 -3.085 -7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.966 -2.480 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.610 -1.768 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.577 -4.060 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.002 -4.763 -9.625 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.016 -4.116 -11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.222 -2.871 -11.659 1.00 0.00 H new ATOM 0 HE ARG A 11 2.403 -5.386 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.205 -3.666 -13.805 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.295 -4.503 -14.914 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.815 -6.470 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.777 -6.095 -14.104 1.00 0.00 H new ATOM 137 N VAL A 12 0.343 -0.822 -6.442 1.00 0.00 N ATOM 138 CA VAL A 12 0.257 0.512 -5.873 1.00 0.00 C ATOM 139 C VAL A 12 1.163 1.459 -6.663 1.00 0.00 C ATOM 140 O VAL A 12 2.241 1.066 -7.107 1.00 0.00 O ATOM 141 CB VAL A 12 0.595 0.468 -4.381 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.106 0.370 -4.165 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.014 1.680 -3.651 1.00 0.00 C ATOM 0 H VAL A 12 1.090 -1.402 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.761 0.895 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 12 0.137 -0.427 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.320 0.340 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.483 -0.538 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.594 1.238 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.269 1.624 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.429 2.594 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.070 1.687 -3.763 1.00 0.00 H new ATOM 153 N CYS A 13 0.691 2.688 -6.816 1.00 0.00 N ATOM 154 CA CYS A 13 1.445 3.693 -7.545 1.00 0.00 C ATOM 155 C CYS A 13 1.910 4.760 -6.551 1.00 0.00 C ATOM 156 O CYS A 13 1.182 5.711 -6.270 1.00 0.00 O ATOM 157 CB CYS A 13 0.626 4.296 -8.688 1.00 0.00 C ATOM 158 SG CYS A 13 1.742 4.914 -9.999 1.00 0.00 S ATOM 0 H CYS A 13 -0.204 3.010 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 13 2.314 3.231 -8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.049 3.545 -9.098 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.007 5.111 -8.312 1.00 0.00 H new ATOM 0 HG CYS A 13 1.037 5.422 -10.966 1.00 0.00 H new ATOM 164 N LYS A 14 3.119 4.566 -6.046 1.00 0.00 N ATOM 165 CA LYS A 14 3.689 5.499 -5.089 1.00 0.00 C ATOM 166 C LYS A 14 3.531 6.926 -5.619 1.00 0.00 C ATOM 167 O LYS A 14 3.370 7.131 -6.820 1.00 0.00 O ATOM 168 CB LYS A 14 5.136 5.119 -4.768 1.00 0.00 C ATOM 169 CG LYS A 14 5.191 3.901 -3.844 1.00 0.00 C ATOM 170 CD LYS A 14 6.638 3.524 -3.519 1.00 0.00 C ATOM 171 CE LYS A 14 7.344 2.947 -4.748 1.00 0.00 C ATOM 172 NZ LYS A 14 8.773 2.694 -4.453 1.00 0.00 N ATOM 0 H LYS A 14 3.720 3.776 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 14 3.153 5.449 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.673 4.903 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.641 5.962 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.651 4.115 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.689 3.057 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.176 4.404 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.654 2.794 -2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.859 2.019 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.256 3.640 -5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.238 2.303 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.235 3.586 -4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.851 2.015 -3.669 1.00 0.00 H new ATOM 186 N MET A 15 3.582 7.874 -4.695 1.00 0.00 N ATOM 187 CA MET A 15 3.446 9.276 -5.054 1.00 0.00 C ATOM 188 C MET A 15 4.463 9.668 -6.127 1.00 0.00 C ATOM 189 O MET A 15 4.113 10.319 -7.111 1.00 0.00 O ATOM 190 CB MET A 15 3.654 10.144 -3.811 1.00 0.00 C ATOM 191 CG MET A 15 5.015 9.864 -3.169 1.00 0.00 C ATOM 192 SD MET A 15 4.980 10.317 -1.443 1.00 0.00 S ATOM 193 CE MET A 15 6.123 9.115 -0.784 1.00 0.00 C ATOM 0 H MET A 15 3.716 7.699 -3.699 1.00 0.00 H new ATOM 0 HA MET A 15 2.445 9.434 -5.454 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.586 11.197 -4.083 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.860 9.949 -3.090 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.264 8.808 -3.271 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.793 10.427 -3.686 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.220 9.257 0.292 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.751 8.110 -0.986 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.097 9.243 -1.256 1.00 0.00 H new ATOM 203 N ASP A 16 5.702 9.256 -5.902 1.00 0.00 N ATOM 204 CA ASP A 16 6.772 9.556 -6.838 1.00 0.00 C ATOM 205 C ASP A 16 7.765 8.392 -6.861 1.00 0.00 C ATOM 206 O ASP A 16 8.975 8.603 -6.789 1.00 0.00 O ATOM 207 CB ASP A 16 7.531 10.817 -6.421 1.00 0.00 C ATOM 208 CG ASP A 16 8.340 11.483 -7.535 1.00 0.00 C ATOM 209 OD1 ASP A 16 7.695 12.026 -8.458 1.00 0.00 O ATOM 210 OD2 ASP A 16 9.586 11.435 -7.439 1.00 0.00 O ATOM 0 H ASP A 16 5.989 8.717 -5.085 1.00 0.00 H new ATOM 0 HA ASP A 16 6.327 9.712 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.816 11.541 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.207 10.563 -5.604 1.00 0.00 H new ATOM 215 N GLY A 17 7.217 7.190 -6.961 1.00 0.00 N ATOM 216 CA GLY A 17 8.040 5.993 -6.993 1.00 0.00 C ATOM 217 C GLY A 17 7.601 5.057 -8.121 1.00 0.00 C ATOM 218 O GLY A 17 6.995 5.496 -9.097 1.00 0.00 O ATOM 0 H GLY A 17 6.213 7.019 -7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.085 6.269 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.971 5.474 -6.037 1.00 0.00 H new ATOM 222 N GLU A 18 7.924 3.783 -7.949 1.00 0.00 N ATOM 223 CA GLU A 18 7.570 2.781 -8.940 1.00 0.00 C ATOM 224 C GLU A 18 6.376 1.955 -8.457 1.00 0.00 C ATOM 225 O GLU A 18 6.042 1.974 -7.273 1.00 0.00 O ATOM 226 CB GLU A 18 8.765 1.882 -9.261 1.00 0.00 C ATOM 227 CG GLU A 18 8.838 1.581 -10.759 1.00 0.00 C ATOM 228 CD GLU A 18 10.257 1.787 -11.292 1.00 0.00 C ATOM 229 OE1 GLU A 18 10.623 2.966 -11.489 1.00 0.00 O ATOM 230 OE2 GLU A 18 10.944 0.762 -11.490 1.00 0.00 O ATOM 0 H GLU A 18 8.427 3.422 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 18 7.285 3.292 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.686 2.367 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.683 0.949 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.522 0.554 -10.943 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.146 2.228 -11.298 1.00 0.00 H new ATOM 237 N VAL A 19 5.766 1.249 -9.398 1.00 0.00 N ATOM 238 CA VAL A 19 4.617 0.418 -9.083 1.00 0.00 C ATOM 239 C VAL A 19 5.061 -0.740 -8.186 1.00 0.00 C ATOM 240 O VAL A 19 6.093 -1.361 -8.433 1.00 0.00 O ATOM 241 CB VAL A 19 3.941 -0.051 -10.373 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.889 -1.123 -10.082 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.327 1.128 -11.130 1.00 0.00 C ATOM 0 H VAL A 19 6.046 1.236 -10.379 1.00 0.00 H new ATOM 0 HA VAL A 19 3.872 0.990 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 19 4.706 -0.496 -11.009 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.424 -1.439 -11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.365 -1.980 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.128 -0.715 -9.417 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.853 0.767 -12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.581 1.615 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.109 1.843 -11.385 1.00 0.00 H new ATOM 253 N MET A 20 4.258 -0.994 -7.163 1.00 0.00 N ATOM 254 CA MET A 20 4.555 -2.066 -6.228 1.00 0.00 C ATOM 255 C MET A 20 3.390 -3.053 -6.137 1.00 0.00 C ATOM 256 O MET A 20 2.269 -2.668 -5.812 1.00 0.00 O ATOM 257 CB MET A 20 4.832 -1.474 -4.844 1.00 0.00 C ATOM 258 CG MET A 20 6.335 -1.412 -4.565 1.00 0.00 C ATOM 259 SD MET A 20 6.660 -0.283 -3.220 1.00 0.00 S ATOM 260 CE MET A 20 5.362 -0.762 -2.093 1.00 0.00 C ATOM 0 H MET A 20 3.403 -0.476 -6.961 1.00 0.00 H new ATOM 0 HA MET A 20 5.434 -2.602 -6.586 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.405 -0.473 -4.781 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.342 -2.079 -4.081 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.708 -2.405 -4.315 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.866 -1.087 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.646 -0.494 -1.075 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.440 -0.246 -2.360 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.206 -1.839 -2.154 1.00 0.00 H new ATOM 270 N PRO A 21 3.705 -4.342 -6.438 1.00 0.00 N ATOM 271 CA PRO A 21 2.697 -5.388 -6.395 1.00 0.00 C ATOM 272 C PRO A 21 2.366 -5.770 -4.950 1.00 0.00 C ATOM 273 O PRO A 21 3.169 -6.410 -4.274 1.00 0.00 O ATOM 274 CB PRO A 21 3.289 -6.538 -7.192 1.00 0.00 C ATOM 275 CG PRO A 21 4.784 -6.273 -7.259 1.00 0.00 C ATOM 276 CD PRO A 21 5.022 -4.835 -6.827 1.00 0.00 C ATOM 0 HA PRO A 21 1.745 -5.073 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.083 -7.494 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.856 -6.585 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.323 -6.961 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.155 -6.434 -8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.726 -4.782 -5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.443 -4.242 -7.639 1.00 0.00 H new ATOM 284 N VAL A 22 1.181 -5.361 -4.521 1.00 0.00 N ATOM 285 CA VAL A 22 0.733 -5.653 -3.170 1.00 0.00 C ATOM 286 C VAL A 22 -0.252 -6.823 -3.204 1.00 0.00 C ATOM 287 O VAL A 22 -0.976 -7.000 -4.182 1.00 0.00 O ATOM 288 CB VAL A 22 0.144 -4.393 -2.531 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.355 -4.680 -1.113 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.161 -3.250 -2.533 1.00 0.00 C ATOM 0 H VAL A 22 0.518 -4.830 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 22 1.574 -5.956 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.711 -4.081 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.769 -3.769 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.128 -5.448 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.475 -5.028 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.717 -2.367 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.044 -3.548 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.448 -3.020 -3.559 1.00 0.00 H new ATOM 300 N VAL A 23 -0.247 -7.591 -2.125 1.00 0.00 N ATOM 301 CA VAL A 23 -1.132 -8.739 -2.019 1.00 0.00 C ATOM 302 C VAL A 23 -2.123 -8.510 -0.876 1.00 0.00 C ATOM 303 O VAL A 23 -1.790 -7.870 0.120 1.00 0.00 O ATOM 304 CB VAL A 23 -0.310 -10.019 -1.852 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.503 -9.982 -0.556 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.208 -11.257 -1.902 1.00 0.00 C ATOM 0 H VAL A 23 0.356 -7.441 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.714 -8.859 -2.933 1.00 0.00 H new ATOM 0 HB VAL A 23 0.390 -10.080 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.078 -10.903 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.183 -9.130 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.172 -9.887 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.599 -12.153 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.943 -11.206 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.722 -11.295 -2.862 1.00 0.00 H new ATOM 316 N VAL A 24 -3.320 -9.047 -1.058 1.00 0.00 N ATOM 317 CA VAL A 24 -4.362 -8.910 -0.054 1.00 0.00 C ATOM 318 C VAL A 24 -5.386 -10.033 -0.231 1.00 0.00 C ATOM 319 O VAL A 24 -5.396 -10.712 -1.257 1.00 0.00 O ATOM 320 CB VAL A 24 -4.985 -7.515 -0.134 1.00 0.00 C ATOM 321 CG1 VAL A 24 -3.998 -6.446 0.339 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.481 -7.216 -1.550 1.00 0.00 C ATOM 0 H VAL A 24 -3.592 -9.578 -1.885 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.943 -9.007 0.947 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.847 -7.494 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.466 -5.464 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.715 -6.644 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.109 -6.468 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.919 -6.218 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.644 -7.265 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.234 -7.951 -1.835 1.00 0.00 H new ATOM 332 N VAL A 25 -6.222 -10.193 0.784 1.00 0.00 N ATOM 333 CA VAL A 25 -7.248 -11.222 0.753 1.00 0.00 C ATOM 334 C VAL A 25 -8.248 -10.906 -0.361 1.00 0.00 C ATOM 335 O VAL A 25 -8.431 -9.746 -0.725 1.00 0.00 O ATOM 336 CB VAL A 25 -7.905 -11.347 2.129 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.874 -11.713 3.198 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.647 -10.061 2.501 1.00 0.00 C ATOM 0 H VAL A 25 -6.210 -9.628 1.633 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.808 -12.194 0.528 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.636 -12.154 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.368 -11.796 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.410 -12.666 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.109 -10.938 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.105 -10.176 3.483 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.944 -9.229 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.422 -9.861 1.761 1.00 0.00 H new ATOM 348 N GLN A 26 -8.868 -11.960 -0.872 1.00 0.00 N ATOM 349 CA GLN A 26 -9.845 -11.810 -1.937 1.00 0.00 C ATOM 350 C GLN A 26 -10.887 -10.756 -1.557 1.00 0.00 C ATOM 351 O GLN A 26 -11.474 -10.116 -2.428 1.00 0.00 O ATOM 352 CB GLN A 26 -10.511 -13.148 -2.263 1.00 0.00 C ATOM 353 CG GLN A 26 -10.073 -13.658 -3.637 1.00 0.00 C ATOM 354 CD GLN A 26 -10.145 -15.185 -3.703 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.084 -15.767 -4.221 1.00 0.00 O ATOM 356 NE2 GLN A 26 -9.103 -15.800 -3.150 1.00 0.00 N ATOM 0 H GLN A 26 -8.713 -12.921 -0.568 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.326 -11.472 -2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.253 -13.882 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.595 -13.033 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.710 -13.227 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.055 -13.329 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.350 -15.253 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.057 -16.819 -3.143 1.00 0.00 H new ATOM 365 N ASN A 27 -11.086 -10.609 -0.255 1.00 0.00 N ATOM 366 CA ASN A 27 -12.047 -9.645 0.251 1.00 0.00 C ATOM 367 C ASN A 27 -11.348 -8.701 1.232 1.00 0.00 C ATOM 368 O ASN A 27 -11.733 -8.614 2.397 1.00 0.00 O ATOM 369 CB ASN A 27 -13.187 -10.342 0.997 1.00 0.00 C ATOM 370 CG ASN A 27 -13.781 -11.474 0.156 1.00 0.00 C ATOM 371 OD1 ASN A 27 -13.637 -11.524 -1.054 1.00 0.00 O ATOM 372 ND2 ASN A 27 -14.455 -12.376 0.863 1.00 0.00 N ATOM 0 H ASN A 27 -10.597 -11.142 0.465 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.454 -9.097 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -12.818 -10.741 1.942 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.965 -9.617 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.890 -13.170 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.537 -12.274 1.875 1.00 0.00 H new ATOM 379 N ALA A 28 -10.333 -8.018 0.724 1.00 0.00 N ATOM 380 CA ALA A 28 -9.576 -7.084 1.540 1.00 0.00 C ATOM 381 C ALA A 28 -10.278 -5.724 1.535 1.00 0.00 C ATOM 382 O ALA A 28 -11.278 -5.540 0.842 1.00 0.00 O ATOM 383 CB ALA A 28 -8.139 -7.000 1.022 1.00 0.00 C ATOM 0 H ALA A 28 -10.017 -8.093 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.530 -7.428 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.572 -6.299 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.675 -7.985 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.145 -6.656 -0.012 1.00 0.00 H new ATOM 389 N THR A 29 -9.728 -4.807 2.316 1.00 0.00 N ATOM 390 CA THR A 29 -10.289 -3.470 2.410 1.00 0.00 C ATOM 391 C THR A 29 -9.191 -2.418 2.237 1.00 0.00 C ATOM 392 O THR A 29 -8.021 -2.758 2.069 1.00 0.00 O ATOM 393 CB THR A 29 -11.030 -3.361 3.744 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.989 -3.272 4.713 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.770 -4.648 4.109 1.00 0.00 C ATOM 0 H THR A 29 -8.899 -4.963 2.890 1.00 0.00 H new ATOM 0 HA THR A 29 -11.004 -3.283 1.609 1.00 0.00 H new ATOM 0 HB THR A 29 -11.740 -2.535 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.381 -3.196 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.279 -4.517 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.503 -4.878 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.056 -5.468 4.188 1.00 0.00 H new ATOM 403 N VAL A 30 -9.608 -1.161 2.284 1.00 0.00 N ATOM 404 CA VAL A 30 -8.675 -0.057 2.134 1.00 0.00 C ATOM 405 C VAL A 30 -7.540 -0.213 3.148 1.00 0.00 C ATOM 406 O VAL A 30 -6.367 -0.109 2.792 1.00 0.00 O ATOM 407 CB VAL A 30 -9.416 1.276 2.266 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.436 2.450 2.261 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.464 1.432 1.163 1.00 0.00 C ATOM 0 H VAL A 30 -10.579 -0.883 2.424 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.227 -0.068 1.140 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.936 1.277 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.988 3.385 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.744 2.350 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.876 2.453 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.976 2.387 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.975 1.399 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.189 0.621 1.233 1.00 0.00 H new ATOM 419 N LEU A 31 -7.929 -0.460 4.390 1.00 0.00 N ATOM 420 CA LEU A 31 -6.958 -0.631 5.458 1.00 0.00 C ATOM 421 C LEU A 31 -5.954 -1.715 5.059 1.00 0.00 C ATOM 422 O LEU A 31 -4.746 -1.483 5.075 1.00 0.00 O ATOM 423 CB LEU A 31 -7.666 -0.908 6.786 1.00 0.00 C ATOM 424 CG LEU A 31 -7.503 0.162 7.867 1.00 0.00 C ATOM 425 CD1 LEU A 31 -8.415 -0.124 9.062 1.00 0.00 C ATOM 426 CD2 LEU A 31 -6.038 0.302 8.285 1.00 0.00 C ATOM 0 H LEU A 31 -8.903 -0.546 4.681 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.392 0.288 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.730 -1.037 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.298 -1.855 7.181 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.810 1.120 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.280 0.651 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.454 -0.133 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.161 -1.094 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.951 1.069 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.679 -0.649 8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.438 0.586 7.420 1.00 0.00 H new ATOM 438 N ASP A 32 -6.491 -2.875 4.710 1.00 0.00 N ATOM 439 CA ASP A 32 -5.657 -3.994 4.308 1.00 0.00 C ATOM 440 C ASP A 32 -4.603 -3.508 3.310 1.00 0.00 C ATOM 441 O ASP A 32 -3.408 -3.714 3.515 1.00 0.00 O ATOM 442 CB ASP A 32 -6.487 -5.083 3.625 1.00 0.00 C ATOM 443 CG ASP A 32 -5.826 -6.461 3.568 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.800 -6.570 2.863 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.362 -7.375 4.232 1.00 0.00 O ATOM 0 H ASP A 32 -7.493 -3.064 4.697 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.190 -4.404 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.439 -5.175 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.712 -4.763 2.608 1.00 0.00 H new ATOM 450 N LEU A 33 -5.085 -2.871 2.253 1.00 0.00 N ATOM 451 CA LEU A 33 -4.200 -2.354 1.223 1.00 0.00 C ATOM 452 C LEU A 33 -2.958 -1.749 1.881 1.00 0.00 C ATOM 453 O LEU A 33 -1.833 -2.104 1.534 1.00 0.00 O ATOM 454 CB LEU A 33 -4.949 -1.379 0.313 1.00 0.00 C ATOM 455 CG LEU A 33 -4.515 -1.362 -1.154 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.212 -0.579 -1.331 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.409 -2.783 -1.711 1.00 0.00 C ATOM 0 H LEU A 33 -6.077 -2.701 2.088 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.858 -3.161 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.012 -1.618 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.833 -0.373 0.717 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.282 -0.846 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.926 -0.582 -2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.357 0.449 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.424 -1.045 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.099 -2.742 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.674 -3.345 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.379 -3.275 -1.639 1.00 0.00 H new ATOM 469 N LYS A 34 -3.204 -0.847 2.820 1.00 0.00 N ATOM 470 CA LYS A 34 -2.120 -0.190 3.529 1.00 0.00 C ATOM 471 C LYS A 34 -1.328 -1.233 4.321 1.00 0.00 C ATOM 472 O LYS A 34 -0.115 -1.353 4.157 1.00 0.00 O ATOM 473 CB LYS A 34 -2.658 0.955 4.389 1.00 0.00 C ATOM 474 CG LYS A 34 -3.167 2.104 3.515 1.00 0.00 C ATOM 475 CD LYS A 34 -4.630 2.425 3.829 1.00 0.00 C ATOM 476 CE LYS A 34 -4.844 3.934 3.961 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.083 4.217 4.720 1.00 0.00 N ATOM 0 H LYS A 34 -4.139 -0.556 3.106 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.428 0.270 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.466 0.590 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.872 1.318 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.553 2.990 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.067 1.837 2.463 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.270 2.031 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.924 1.930 4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.990 4.386 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.905 4.387 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.580 5.021 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.699 3.379 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.842 4.450 5.704 1.00 0.00 H new ATOM 491 N LYS A 35 -2.047 -1.961 5.163 1.00 0.00 N ATOM 492 CA LYS A 35 -1.427 -2.990 5.980 1.00 0.00 C ATOM 493 C LYS A 35 -0.558 -3.884 5.094 1.00 0.00 C ATOM 494 O LYS A 35 0.414 -4.474 5.565 1.00 0.00 O ATOM 495 CB LYS A 35 -2.488 -3.756 6.773 1.00 0.00 C ATOM 496 CG LYS A 35 -3.291 -2.811 7.670 1.00 0.00 C ATOM 497 CD LYS A 35 -4.302 -3.587 8.518 1.00 0.00 C ATOM 498 CE LYS A 35 -5.036 -2.655 9.484 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.185 -3.296 10.809 1.00 0.00 N ATOM 0 H LYS A 35 -3.053 -1.858 5.297 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.769 -2.541 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.160 -4.270 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.009 -4.522 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.613 -2.258 8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.813 -2.077 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.022 -4.084 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.788 -4.367 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.485 -1.720 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.018 -2.405 9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.685 -2.650 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.730 -4.176 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.245 -3.513 11.198 1.00 0.00 H new ATOM 513 N ALA A 36 -0.938 -3.957 3.827 1.00 0.00 N ATOM 514 CA ALA A 36 -0.205 -4.769 2.871 1.00 0.00 C ATOM 515 C ALA A 36 1.054 -4.019 2.430 1.00 0.00 C ATOM 516 O ALA A 36 2.169 -4.437 2.736 1.00 0.00 O ATOM 517 CB ALA A 36 -1.116 -5.120 1.693 1.00 0.00 C ATOM 0 H ALA A 36 -1.744 -3.467 3.440 1.00 0.00 H new ATOM 0 HA ALA A 36 0.112 -5.706 3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.565 -5.729 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.980 -5.677 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.452 -4.204 1.208 1.00 0.00 H new ATOM 523 N ILE A 37 0.833 -2.923 1.719 1.00 0.00 N ATOM 524 CA ILE A 37 1.935 -2.110 1.234 1.00 0.00 C ATOM 525 C ILE A 37 3.005 -2.008 2.322 1.00 0.00 C ATOM 526 O ILE A 37 4.190 -1.873 2.022 1.00 0.00 O ATOM 527 CB ILE A 37 1.425 -0.754 0.742 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.467 -0.923 -0.439 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.589 0.180 0.407 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.421 0.311 -0.606 1.00 0.00 C ATOM 0 H ILE A 37 -0.094 -2.579 1.467 1.00 0.00 H new ATOM 0 HA ILE A 37 2.404 -2.580 0.369 1.00 0.00 H new ATOM 0 HB ILE A 37 0.860 -0.288 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.037 -1.092 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.155 -1.805 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.199 1.137 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.197 0.338 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.201 -0.268 -0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.092 0.164 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.007 0.463 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.203 1.187 -0.785 1.00 0.00 H new ATOM 542 N GLN A 38 2.549 -2.075 3.564 1.00 0.00 N ATOM 543 CA GLN A 38 3.452 -1.991 4.699 1.00 0.00 C ATOM 544 C GLN A 38 4.186 -3.320 4.893 1.00 0.00 C ATOM 545 O GLN A 38 5.408 -3.345 5.029 1.00 0.00 O ATOM 546 CB GLN A 38 2.701 -1.589 5.969 1.00 0.00 C ATOM 547 CG GLN A 38 2.711 -0.070 6.154 1.00 0.00 C ATOM 548 CD GLN A 38 1.503 0.390 6.975 1.00 0.00 C ATOM 549 OE1 GLN A 38 0.435 0.666 6.454 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.732 0.457 8.283 1.00 0.00 N ATOM 0 H GLN A 38 1.565 -2.187 3.809 1.00 0.00 H new ATOM 0 HA GLN A 38 4.191 -1.217 4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.672 -1.946 5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.160 -2.067 6.834 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.631 0.233 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.701 0.419 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.650 0.211 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.989 0.754 8.916 1.00 0.00 H new ATOM 559 N ARG A 39 3.408 -4.393 4.899 1.00 0.00 N ATOM 560 CA ARG A 39 3.968 -5.722 5.074 1.00 0.00 C ATOM 561 C ARG A 39 4.805 -6.110 3.854 1.00 0.00 C ATOM 562 O ARG A 39 5.467 -7.147 3.855 1.00 0.00 O ATOM 563 CB ARG A 39 2.865 -6.762 5.279 1.00 0.00 C ATOM 564 CG ARG A 39 2.208 -6.601 6.652 1.00 0.00 C ATOM 565 CD ARG A 39 2.910 -7.466 7.700 1.00 0.00 C ATOM 566 NE ARG A 39 2.162 -7.421 8.977 1.00 0.00 N ATOM 567 CZ ARG A 39 2.499 -8.118 10.070 1.00 0.00 C ATOM 568 NH1 ARG A 39 3.574 -8.917 10.050 1.00 0.00 N ATOM 569 NH2 ARG A 39 1.762 -8.015 11.184 1.00 0.00 N ATOM 0 H ARG A 39 2.395 -4.369 4.785 1.00 0.00 H new ATOM 0 HA ARG A 39 4.601 -5.701 5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.112 -6.658 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.284 -7.764 5.187 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.244 -5.555 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.156 -6.880 6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.981 -8.495 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.929 -7.111 7.853 1.00 0.00 H new ATOM 0 HE ARG A 39 1.338 -6.822 9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.136 -8.995 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.831 -9.448 10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.944 -7.406 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.019 -8.546 12.016 1.00 0.00 H new ATOM 583 N TYR A 40 4.749 -5.257 2.842 1.00 0.00 N ATOM 584 CA TYR A 40 5.493 -5.498 1.618 1.00 0.00 C ATOM 585 C TYR A 40 6.925 -4.972 1.734 1.00 0.00 C ATOM 586 O TYR A 40 7.864 -5.605 1.254 1.00 0.00 O ATOM 587 CB TYR A 40 4.765 -4.719 0.521 1.00 0.00 C ATOM 588 CG TYR A 40 5.494 -4.709 -0.825 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.641 -3.960 -0.982 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.003 -5.451 -1.881 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.327 -3.950 -2.248 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.689 -5.442 -3.147 1.00 0.00 C ATOM 593 CZ TYR A 40 6.817 -4.692 -3.268 1.00 0.00 C ATOM 594 OH TYR A 40 7.465 -4.683 -4.464 1.00 0.00 O ATOM 0 H TYR A 40 4.200 -4.398 2.845 1.00 0.00 H new ATOM 0 HA TYR A 40 5.548 -6.566 1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.773 -5.149 0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.623 -3.691 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.025 -3.381 -0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.105 -6.038 -1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.226 -3.367 -2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.316 -6.018 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 40 7.605 -5.604 -4.767 1.00 0.00 H new ATOM 604 N VAL A 41 7.048 -3.819 2.376 1.00 0.00 N ATOM 605 CA VAL A 41 8.349 -3.201 2.562 1.00 0.00 C ATOM 606 C VAL A 41 8.908 -3.600 3.929 1.00 0.00 C ATOM 607 O VAL A 41 10.088 -3.925 4.051 1.00 0.00 O ATOM 608 CB VAL A 41 8.240 -1.686 2.379 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.625 -1.036 2.344 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.440 -1.341 1.122 1.00 0.00 C ATOM 0 H VAL A 41 6.267 -3.297 2.774 1.00 0.00 H new ATOM 0 HA VAL A 41 9.052 -3.556 1.808 1.00 0.00 H new ATOM 0 HB VAL A 41 7.703 -1.283 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.518 0.041 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.145 -1.238 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.199 -1.447 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.378 -0.258 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.936 -1.763 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.435 -1.756 1.205 1.00 0.00 H new ATOM 620 N GLN A 42 8.033 -3.562 4.924 1.00 0.00 N ATOM 621 CA GLN A 42 8.424 -3.915 6.278 1.00 0.00 C ATOM 622 C GLN A 42 9.074 -5.300 6.299 1.00 0.00 C ATOM 623 O GLN A 42 10.282 -5.420 6.501 1.00 0.00 O ATOM 624 CB GLN A 42 7.226 -3.858 7.227 1.00 0.00 C ATOM 625 CG GLN A 42 7.674 -3.552 8.658 1.00 0.00 C ATOM 626 CD GLN A 42 7.305 -4.696 9.605 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.618 -5.852 9.373 1.00 0.00 O ATOM 628 NE2 GLN A 42 6.625 -4.310 10.680 1.00 0.00 N ATOM 0 H GLN A 42 7.055 -3.292 4.819 1.00 0.00 H new ATOM 0 HA GLN A 42 9.156 -3.186 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.526 -3.093 6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.694 -4.809 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.752 -3.391 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.207 -2.628 8.999 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.396 -3.325 10.812 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.332 -4.999 11.373 1.00 0.00 H new ATOM 637 N LEU A 43 8.245 -6.311 6.086 1.00 0.00 N ATOM 638 CA LEU A 43 8.724 -7.683 6.078 1.00 0.00 C ATOM 639 C LEU A 43 9.909 -7.799 5.117 1.00 0.00 C ATOM 640 O LEU A 43 11.007 -8.175 5.522 1.00 0.00 O ATOM 641 CB LEU A 43 7.580 -8.648 5.762 1.00 0.00 C ATOM 642 CG LEU A 43 7.053 -9.471 6.940 1.00 0.00 C ATOM 643 CD1 LEU A 43 5.814 -10.274 6.537 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.151 -10.364 7.520 1.00 0.00 C ATOM 0 H LEU A 43 7.244 -6.208 5.918 1.00 0.00 H new ATOM 0 HA LEU A 43 9.085 -7.966 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.752 -8.075 5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.915 -9.335 4.985 1.00 0.00 H new ATOM 0 HG LEU A 43 6.748 -8.783 7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.460 -10.850 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.030 -9.592 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.069 -10.953 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.750 -10.938 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.509 -11.047 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.977 -9.745 7.869 1.00 0.00 H new ATOM 656 N LYS A 44 9.645 -7.469 3.861 1.00 0.00 N ATOM 657 CA LYS A 44 10.676 -7.532 2.838 1.00 0.00 C ATOM 658 C LYS A 44 11.994 -7.012 3.417 1.00 0.00 C ATOM 659 O LYS A 44 12.965 -7.759 3.524 1.00 0.00 O ATOM 660 CB LYS A 44 10.225 -6.793 1.577 1.00 0.00 C ATOM 661 CG LYS A 44 11.317 -6.821 0.505 1.00 0.00 C ATOM 662 CD LYS A 44 10.860 -6.095 -0.762 1.00 0.00 C ATOM 663 CE LYS A 44 12.028 -5.890 -1.728 1.00 0.00 C ATOM 664 NZ LYS A 44 11.549 -5.326 -3.009 1.00 0.00 N ATOM 0 H LYS A 44 8.733 -7.157 3.528 1.00 0.00 H new ATOM 0 HA LYS A 44 10.846 -8.564 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.316 -7.252 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.980 -5.760 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.222 -6.352 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.570 -7.854 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.075 -6.671 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.429 -5.130 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.763 -5.221 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.530 -6.841 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.355 -5.193 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.864 -5.979 -3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.091 -4.409 -2.835 1.00 0.00 H new ATOM 678 N GLN A 45 11.984 -5.736 3.773 1.00 0.00 N ATOM 679 CA GLN A 45 13.167 -5.108 4.338 1.00 0.00 C ATOM 680 C GLN A 45 13.765 -5.992 5.434 1.00 0.00 C ATOM 681 O GLN A 45 14.959 -6.287 5.416 1.00 0.00 O ATOM 682 CB GLN A 45 12.843 -3.713 4.875 1.00 0.00 C ATOM 683 CG GLN A 45 12.703 -2.705 3.732 1.00 0.00 C ATOM 684 CD GLN A 45 12.411 -1.303 4.271 1.00 0.00 C ATOM 685 OE1 GLN A 45 11.901 -1.124 5.364 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.761 -0.322 3.444 1.00 0.00 N ATOM 0 H GLN A 45 11.176 -5.120 3.681 1.00 0.00 H new ATOM 0 HA GLN A 45 13.907 -4.994 3.546 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.918 -3.747 5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.630 -3.389 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.620 -2.688 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 45 11.900 -3.016 3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.184 -0.542 2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.606 0.650 3.711 1.00 0.00 H new ATOM 695 N GLU A 46 12.908 -6.391 6.362 1.00 0.00 N ATOM 696 CA GLU A 46 13.337 -7.235 7.464 1.00 0.00 C ATOM 697 C GLU A 46 14.168 -8.409 6.942 1.00 0.00 C ATOM 698 O GLU A 46 15.309 -8.601 7.360 1.00 0.00 O ATOM 699 CB GLU A 46 12.137 -7.731 8.274 1.00 0.00 C ATOM 700 CG GLU A 46 12.278 -7.352 9.750 1.00 0.00 C ATOM 701 CD GLU A 46 12.759 -8.544 10.579 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.931 -9.455 10.797 1.00 0.00 O ATOM 703 OE2 GLU A 46 13.945 -8.518 10.975 1.00 0.00 O ATOM 0 H GLU A 46 11.918 -6.145 6.373 1.00 0.00 H new ATOM 0 HA GLU A 46 13.962 -6.640 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.219 -7.303 7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.052 -8.814 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.982 -6.526 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.319 -7.002 10.132 1.00 0.00 H new ATOM 710 N ARG A 47 13.564 -9.163 6.035 1.00 0.00 N ATOM 711 CA ARG A 47 14.234 -10.312 5.451 1.00 0.00 C ATOM 712 C ARG A 47 15.483 -9.867 4.687 1.00 0.00 C ATOM 713 O ARG A 47 16.389 -10.665 4.455 1.00 0.00 O ATOM 714 CB ARG A 47 13.304 -11.067 4.499 1.00 0.00 C ATOM 715 CG ARG A 47 12.035 -11.525 5.220 1.00 0.00 C ATOM 716 CD ARG A 47 12.196 -12.945 5.766 1.00 0.00 C ATOM 717 NE ARG A 47 13.008 -12.923 7.003 1.00 0.00 N ATOM 718 CZ ARG A 47 13.622 -13.996 7.518 1.00 0.00 C ATOM 719 NH1 ARG A 47 13.521 -15.184 6.905 1.00 0.00 N ATOM 720 NH2 ARG A 47 14.338 -13.883 8.645 1.00 0.00 N ATOM 0 H ARG A 47 12.618 -9.000 5.690 1.00 0.00 H new ATOM 0 HA ARG A 47 14.520 -10.978 6.265 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.038 -10.425 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.824 -11.931 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.810 -10.841 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.189 -11.489 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.217 -13.377 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.674 -13.579 5.019 1.00 0.00 H new ATOM 0 HE ARG A 47 13.106 -12.035 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.977 -15.270 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.989 -16.001 7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.416 -12.979 9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.805 -14.701 9.037 1.00 0.00 H new ATOM 734 N GLU A 48 15.489 -8.594 4.319 1.00 0.00 N ATOM 735 CA GLU A 48 16.612 -8.034 3.586 1.00 0.00 C ATOM 736 C GLU A 48 17.483 -7.186 4.516 1.00 0.00 C ATOM 737 O GLU A 48 18.286 -6.378 4.054 1.00 0.00 O ATOM 738 CB GLU A 48 16.130 -7.213 2.388 1.00 0.00 C ATOM 739 CG GLU A 48 16.018 -8.085 1.136 1.00 0.00 C ATOM 740 CD GLU A 48 15.861 -7.224 -0.120 1.00 0.00 C ATOM 741 OE1 GLU A 48 16.632 -6.247 -0.238 1.00 0.00 O ATOM 742 OE2 GLU A 48 14.974 -7.562 -0.932 1.00 0.00 O ATOM 0 H GLU A 48 14.735 -7.935 4.514 1.00 0.00 H new ATOM 0 HA GLU A 48 17.216 -8.856 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.161 -6.768 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.822 -6.392 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.906 -8.711 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.164 -8.756 1.231 1.00 0.00 H new ATOM 749 N GLY A 49 17.294 -7.401 5.810 1.00 0.00 N ATOM 750 CA GLY A 49 18.052 -6.667 6.809 1.00 0.00 C ATOM 751 C GLY A 49 17.901 -5.157 6.611 1.00 0.00 C ATOM 752 O GLY A 49 18.820 -4.496 6.130 1.00 0.00 O ATOM 0 H GLY A 49 16.627 -8.073 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.709 -6.943 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.105 -6.942 6.747 1.00 0.00 H new ATOM 756 N GLY A 50 16.736 -4.656 6.992 1.00 0.00 N ATOM 757 CA GLY A 50 16.453 -3.237 6.863 1.00 0.00 C ATOM 758 C GLY A 50 15.501 -2.765 7.964 1.00 0.00 C ATOM 759 O GLY A 50 14.318 -3.099 7.952 1.00 0.00 O ATOM 0 H GLY A 50 15.976 -5.208 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.383 -2.671 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.012 -3.038 5.886 1.00 0.00 H new ATOM 763 N VAL A 51 16.054 -1.995 8.890 1.00 0.00 N ATOM 764 CA VAL A 51 15.269 -1.474 9.996 1.00 0.00 C ATOM 765 C VAL A 51 14.333 -0.379 9.481 1.00 0.00 C ATOM 766 O VAL A 51 14.777 0.567 8.831 1.00 0.00 O ATOM 767 CB VAL A 51 16.196 -0.991 11.114 1.00 0.00 C ATOM 768 CG1 VAL A 51 16.837 0.351 10.753 1.00 0.00 C ATOM 769 CG2 VAL A 51 15.449 -0.901 12.446 1.00 0.00 C ATOM 0 H VAL A 51 17.036 -1.720 8.897 1.00 0.00 H new ATOM 0 HA VAL A 51 14.646 -2.259 10.425 1.00 0.00 H new ATOM 0 HB VAL A 51 16.994 -1.724 11.227 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.491 0.672 11.564 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.420 0.241 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.057 1.097 10.599 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.131 -0.555 13.223 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.621 -0.199 12.352 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.063 -1.884 12.714 1.00 0.00 H new ATOM 779 N GLN A 52 13.056 -0.543 9.789 1.00 0.00 N ATOM 780 CA GLN A 52 12.053 0.419 9.365 1.00 0.00 C ATOM 781 C GLN A 52 12.521 1.843 9.672 1.00 0.00 C ATOM 782 O GLN A 52 13.057 2.106 10.748 1.00 0.00 O ATOM 783 CB GLN A 52 10.703 0.132 10.024 1.00 0.00 C ATOM 784 CG GLN A 52 10.853 -0.011 11.540 1.00 0.00 C ATOM 785 CD GLN A 52 10.569 1.317 12.247 1.00 0.00 C ATOM 786 OE1 GLN A 52 9.685 2.071 11.875 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.368 1.560 13.282 1.00 0.00 N ATOM 0 H GLN A 52 12.692 -1.329 10.328 1.00 0.00 H new ATOM 0 HA GLN A 52 11.921 0.324 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.005 0.938 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.279 -0.782 9.609 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.168 -0.776 11.906 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.862 -0.346 11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.088 0.885 13.540 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.260 2.421 13.818 1.00 0.00 H new ATOM 796 N HIS A 53 12.303 2.725 8.708 1.00 0.00 N ATOM 797 CA HIS A 53 12.695 4.115 8.861 1.00 0.00 C ATOM 798 C HIS A 53 11.708 5.013 8.113 1.00 0.00 C ATOM 799 O HIS A 53 12.076 6.089 7.642 1.00 0.00 O ATOM 800 CB HIS A 53 14.143 4.324 8.413 1.00 0.00 C ATOM 801 CG HIS A 53 15.113 4.540 9.550 1.00 0.00 C ATOM 802 ND1 HIS A 53 16.485 4.438 9.396 1.00 0.00 N ATOM 803 CD2 HIS A 53 14.896 4.855 10.860 1.00 0.00 C ATOM 804 CE1 HIS A 53 17.057 4.681 10.566 1.00 0.00 C ATOM 805 NE2 HIS A 53 16.070 4.939 11.472 1.00 0.00 N ATOM 0 H HIS A 53 11.859 2.503 7.817 1.00 0.00 H new ATOM 0 HA HIS A 53 12.658 4.392 9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.463 3.456 7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.185 5.184 7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.931 5.010 11.321 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.118 4.676 10.767 1.00 0.00 H new ATOM 0 HE2 HIS A 53 16.212 5.160 12.458 1.00 0.00 H new ATOM 813 N ILE A 54 10.474 4.539 8.027 1.00 0.00 N ATOM 814 CA ILE A 54 9.431 5.285 7.344 1.00 0.00 C ATOM 815 C ILE A 54 8.278 5.547 8.316 1.00 0.00 C ATOM 816 O ILE A 54 7.834 4.639 9.016 1.00 0.00 O ATOM 817 CB ILE A 54 9.005 4.563 6.065 1.00 0.00 C ATOM 818 CG1 ILE A 54 10.195 4.370 5.122 1.00 0.00 C ATOM 819 CG2 ILE A 54 7.846 5.293 5.383 1.00 0.00 C ATOM 820 CD1 ILE A 54 9.776 3.618 3.857 1.00 0.00 C ATOM 0 H ILE A 54 10.173 3.647 8.419 1.00 0.00 H new ATOM 0 HA ILE A 54 9.806 6.257 7.023 1.00 0.00 H new ATOM 0 HB ILE A 54 8.645 3.571 6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.610 5.341 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.983 3.817 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.563 4.759 4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.993 5.335 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.155 6.306 5.126 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.640 3.494 3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.384 2.638 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.005 4.185 3.335 1.00 0.00 H new ATOM 832 N SER A 55 7.827 6.793 8.326 1.00 0.00 N ATOM 833 CA SER A 55 6.734 7.186 9.199 1.00 0.00 C ATOM 834 C SER A 55 5.398 7.026 8.471 1.00 0.00 C ATOM 835 O SER A 55 4.743 8.014 8.144 1.00 0.00 O ATOM 836 CB SER A 55 6.906 8.627 9.683 1.00 0.00 C ATOM 837 OG SER A 55 7.475 8.688 10.987 1.00 0.00 O ATOM 0 H SER A 55 8.199 7.543 7.744 1.00 0.00 H new ATOM 0 HA SER A 55 6.744 6.534 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.542 9.171 8.984 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.937 9.126 9.687 1.00 0.00 H new ATOM 0 HG SER A 55 7.570 9.625 11.259 1.00 0.00 H new ATOM 843 N TRP A 56 5.034 5.773 8.237 1.00 0.00 N ATOM 844 CA TRP A 56 3.788 5.471 7.553 1.00 0.00 C ATOM 845 C TRP A 56 2.678 6.297 8.206 1.00 0.00 C ATOM 846 O TRP A 56 1.782 6.789 7.523 1.00 0.00 O ATOM 847 CB TRP A 56 3.504 3.968 7.570 1.00 0.00 C ATOM 848 CG TRP A 56 4.578 3.124 6.881 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.542 2.389 7.452 1.00 0.00 C ATOM 850 CD2 TRP A 56 4.759 2.957 5.459 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.328 1.763 6.506 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.837 2.119 5.255 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.036 3.495 4.380 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.288 1.745 3.984 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.499 3.112 3.116 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.583 2.269 2.894 1.00 0.00 C ATOM 0 H TRP A 56 5.580 4.956 8.509 1.00 0.00 H new ATOM 0 HA TRP A 56 3.850 5.743 6.499 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.406 3.639 8.604 1.00 0.00 H new ATOM 0 HB3 TRP A 56 2.545 3.784 7.085 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.686 2.298 8.519 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.123 1.151 6.691 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.190 4.152 4.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.134 1.087 3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.978 3.498 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.879 2.020 1.886 1.00 0.00 H new ATOM 867 N SER A 57 2.774 6.423 9.522 1.00 0.00 N ATOM 868 CA SER A 57 1.789 7.181 10.275 1.00 0.00 C ATOM 869 C SER A 57 1.451 8.478 9.537 1.00 0.00 C ATOM 870 O SER A 57 0.305 8.695 9.148 1.00 0.00 O ATOM 871 CB SER A 57 2.292 7.488 11.687 1.00 0.00 C ATOM 872 OG SER A 57 1.849 6.520 12.634 1.00 0.00 O ATOM 0 H SER A 57 3.519 6.013 10.086 1.00 0.00 H new ATOM 0 HA SER A 57 0.887 6.576 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.382 7.521 11.685 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.944 8.476 11.989 1.00 0.00 H new ATOM 0 HG SER A 57 2.192 6.750 13.522 1.00 0.00 H new ATOM 878 N TYR A 58 2.470 9.307 9.368 1.00 0.00 N ATOM 879 CA TYR A 58 2.296 10.577 8.684 1.00 0.00 C ATOM 880 C TYR A 58 1.867 10.364 7.231 1.00 0.00 C ATOM 881 O TYR A 58 0.988 11.063 6.730 1.00 0.00 O ATOM 882 CB TYR A 58 3.666 11.259 8.703 1.00 0.00 C ATOM 883 CG TYR A 58 3.761 12.491 7.802 1.00 0.00 C ATOM 884 CD1 TYR A 58 2.913 13.561 8.005 1.00 0.00 C ATOM 885 CD2 TYR A 58 4.694 12.533 6.786 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.003 14.721 7.156 1.00 0.00 C ATOM 887 CE2 TYR A 58 4.783 13.693 5.937 1.00 0.00 C ATOM 888 CZ TYR A 58 3.933 14.730 6.164 1.00 0.00 C ATOM 889 OH TYR A 58 4.018 15.825 5.363 1.00 0.00 O ATOM 0 H TYR A 58 3.419 9.124 9.693 1.00 0.00 H new ATOM 0 HA TYR A 58 1.525 11.173 9.173 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.901 11.551 9.727 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.424 10.538 8.396 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.183 13.528 8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.358 11.696 6.627 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.346 15.565 7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.508 13.738 5.138 1.00 0.00 H new ATOM 0 HH TYR A 58 4.790 16.366 5.630 1.00 0.00 H new ATOM 899 N VAL A 59 2.507 9.394 6.595 1.00 0.00 N ATOM 900 CA VAL A 59 2.202 9.079 5.210 1.00 0.00 C ATOM 901 C VAL A 59 0.686 8.982 5.035 1.00 0.00 C ATOM 902 O VAL A 59 0.113 9.645 4.171 1.00 0.00 O ATOM 903 CB VAL A 59 2.935 7.803 4.789 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.445 7.313 3.426 1.00 0.00 C ATOM 905 CG2 VAL A 59 4.450 8.018 4.782 1.00 0.00 C ATOM 0 H VAL A 59 3.236 8.816 7.013 1.00 0.00 H new ATOM 0 HA VAL A 59 2.555 9.873 4.552 1.00 0.00 H new ATOM 0 HB VAL A 59 2.709 7.030 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.982 6.405 3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.377 7.101 3.478 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.626 8.083 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.947 7.096 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.701 8.813 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.782 8.298 5.782 1.00 0.00 H new ATOM 915 N TRP A 60 0.078 8.151 5.868 1.00 0.00 N ATOM 916 CA TRP A 60 -1.362 7.959 5.817 1.00 0.00 C ATOM 917 C TRP A 60 -2.028 9.251 6.293 1.00 0.00 C ATOM 918 O TRP A 60 -3.156 9.552 5.904 1.00 0.00 O ATOM 919 CB TRP A 60 -1.781 6.734 6.632 1.00 0.00 C ATOM 920 CG TRP A 60 -1.002 5.462 6.290 1.00 0.00 C ATOM 921 CD1 TRP A 60 -0.319 4.664 7.122 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.853 4.871 4.982 1.00 0.00 C ATOM 923 NE1 TRP A 60 0.257 3.606 6.448 1.00 0.00 N ATOM 924 CE2 TRP A 60 -0.078 3.736 5.106 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.357 5.282 3.735 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.263 2.918 4.022 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.007 4.454 2.661 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.228 3.308 2.770 1.00 0.00 C ATOM 0 H TRP A 60 0.556 7.602 6.583 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.688 7.755 4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -1.651 6.954 7.692 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -2.844 6.551 6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.230 4.828 8.186 1.00 0.00 H new ATOM 0 HE1 TRP A 60 0.824 2.865 6.860 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.966 6.166 3.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 0.872 2.034 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.368 4.725 1.680 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.002 2.721 1.892 1.00 0.00 H new ATOM 939 N ARG A 61 -1.304 9.980 7.130 1.00 0.00 N ATOM 940 CA ARG A 61 -1.811 11.232 7.663 1.00 0.00 C ATOM 941 C ARG A 61 -1.390 12.400 6.769 1.00 0.00 C ATOM 942 O ARG A 61 -1.269 13.532 7.235 1.00 0.00 O ATOM 943 CB ARG A 61 -1.296 11.475 9.083 1.00 0.00 C ATOM 944 CG ARG A 61 -2.440 11.426 10.098 1.00 0.00 C ATOM 945 CD ARG A 61 -1.915 11.115 11.501 1.00 0.00 C ATOM 946 NE ARG A 61 -2.548 9.880 12.016 1.00 0.00 N ATOM 947 CZ ARG A 61 -2.630 9.563 13.315 1.00 0.00 C ATOM 948 NH1 ARG A 61 -2.121 10.389 14.240 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.222 8.421 13.690 1.00 0.00 N ATOM 0 H ARG A 61 -0.370 9.727 7.452 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.899 11.164 7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.548 10.723 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.802 12.445 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.965 12.381 10.106 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.163 10.667 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.832 10.995 11.475 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.127 11.949 12.171 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.947 9.229 11.339 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.671 11.259 13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.183 10.148 15.229 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.610 7.793 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.284 8.180 14.679 1.00 0.00 H new ATOM 963 N THR A 62 -1.177 12.085 5.500 1.00 0.00 N ATOM 964 CA THR A 62 -0.771 13.093 4.536 1.00 0.00 C ATOM 965 C THR A 62 -1.272 12.727 3.137 1.00 0.00 C ATOM 966 O THR A 62 -1.840 13.564 2.438 1.00 0.00 O ATOM 967 CB THR A 62 0.749 13.241 4.617 1.00 0.00 C ATOM 968 OG1 THR A 62 0.950 14.201 5.652 1.00 0.00 O ATOM 969 CG2 THR A 62 1.341 13.906 3.373 1.00 0.00 C ATOM 0 H THR A 62 -1.278 11.145 5.117 1.00 0.00 H new ATOM 0 HA THR A 62 -1.219 14.060 4.764 1.00 0.00 H new ATOM 0 HB THR A 62 1.202 12.259 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.910 14.305 5.819 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.422 13.986 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.109 13.305 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.913 14.902 3.254 1.00 0.00 H new ATOM 977 N TYR A 63 -1.044 11.474 2.772 1.00 0.00 N ATOM 978 CA TYR A 63 -1.464 10.986 1.469 1.00 0.00 C ATOM 979 C TYR A 63 -2.569 9.936 1.608 1.00 0.00 C ATOM 980 O TYR A 63 -2.739 9.346 2.674 1.00 0.00 O ATOM 981 CB TYR A 63 -0.230 10.331 0.845 1.00 0.00 C ATOM 982 CG TYR A 63 0.898 11.313 0.521 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.873 12.028 -0.659 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.940 11.483 1.409 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.935 12.952 -0.964 1.00 0.00 C ATOM 986 CE2 TYR A 63 3.002 12.407 1.104 1.00 0.00 C ATOM 987 CZ TYR A 63 2.947 13.096 -0.067 1.00 0.00 C ATOM 988 OH TYR A 63 3.950 13.968 -0.355 1.00 0.00 O ATOM 0 H TYR A 63 -0.574 10.782 3.356 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.856 11.802 0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.149 9.570 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.527 9.819 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.057 11.895 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.959 10.923 2.333 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.928 13.518 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.824 12.549 1.790 1.00 0.00 H new ATOM 0 HH TYR A 63 4.603 13.968 0.376 1.00 0.00 H new ATOM 998 N HIS A 64 -3.290 9.735 0.515 1.00 0.00 N ATOM 999 CA HIS A 64 -4.373 8.766 0.501 1.00 0.00 C ATOM 1000 C HIS A 64 -4.178 7.795 -0.665 1.00 0.00 C ATOM 1001 O HIS A 64 -3.238 7.937 -1.445 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.731 9.470 0.465 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.198 9.973 1.811 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.785 9.150 2.756 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.157 11.221 2.359 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -7.081 9.881 3.820 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.692 11.164 3.572 1.00 0.00 N ATOM 0 H HIS A 64 -3.146 10.226 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.355 8.182 1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.675 10.311 -0.226 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.476 8.780 0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.757 12.106 1.886 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.549 9.523 4.725 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.795 11.950 4.213 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.082 6.829 -0.746 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.021 5.834 -1.803 1.00 0.00 C ATOM 1017 C LEU A 65 -6.155 6.085 -2.800 1.00 0.00 C ATOM 1018 O LEU A 65 -7.329 6.001 -2.443 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.023 4.423 -1.212 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.803 4.049 -0.367 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -3.800 2.554 -0.042 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.507 4.490 -1.050 1.00 0.00 C ATOM 0 H LEU A 65 -5.860 6.715 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.085 5.922 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.915 4.309 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.107 3.708 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.866 4.585 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.923 2.314 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.702 2.301 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.773 1.980 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.656 4.212 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.423 4.001 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.518 5.571 -1.188 1.00 0.00 H new ATOM 1034 N THR A 66 -5.764 6.389 -4.028 1.00 0.00 N ATOM 1035 CA THR A 66 -6.733 6.653 -5.079 1.00 0.00 C ATOM 1036 C THR A 66 -6.633 5.591 -6.175 1.00 0.00 C ATOM 1037 O THR A 66 -5.637 4.873 -6.261 1.00 0.00 O ATOM 1038 CB THR A 66 -6.502 8.077 -5.588 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.124 8.092 -6.870 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.028 8.360 -5.886 1.00 0.00 C ATOM 0 H THR A 66 -4.789 6.459 -4.320 1.00 0.00 H new ATOM 0 HA THR A 66 -7.754 6.590 -4.702 1.00 0.00 H new ATOM 0 HB THR A 66 -6.867 8.790 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.023 8.980 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.919 9.384 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.441 8.229 -4.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.672 7.669 -6.650 1.00 0.00 H new ATOM 1048 N SER A 67 -7.678 5.524 -6.987 1.00 0.00 N ATOM 1049 CA SER A 67 -7.720 4.562 -8.075 1.00 0.00 C ATOM 1050 C SER A 67 -8.181 5.248 -9.363 1.00 0.00 C ATOM 1051 O SER A 67 -7.442 5.292 -10.345 1.00 0.00 O ATOM 1052 CB SER A 67 -8.644 3.390 -7.738 1.00 0.00 C ATOM 1053 OG SER A 67 -9.044 2.673 -8.903 1.00 0.00 O ATOM 0 H SER A 67 -8.502 6.120 -6.913 1.00 0.00 H new ATOM 0 HA SER A 67 -6.715 4.167 -8.221 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.135 2.713 -7.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.528 3.763 -7.220 1.00 0.00 H new ATOM 0 HG SER A 67 -9.632 1.932 -8.645 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.400 5.766 -9.316 1.00 0.00 N ATOM 1060 CA ALA A 68 -9.968 6.447 -10.467 1.00 0.00 C ATOM 1061 C ALA A 68 -11.151 7.305 -10.013 1.00 0.00 C ATOM 1062 O ALA A 68 -12.304 6.961 -10.266 1.00 0.00 O ATOM 1063 CB ALA A 68 -10.366 5.417 -11.525 1.00 0.00 C ATOM 0 H ALA A 68 -10.010 5.728 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.233 7.112 -10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.792 5.928 -12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.485 4.854 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.105 4.733 -11.107 1.00 0.00 H new ATOM 1069 N GLY A 69 -10.824 8.405 -9.351 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.845 9.314 -8.860 1.00 0.00 C ATOM 1071 C GLY A 69 -12.306 8.915 -7.457 1.00 0.00 C ATOM 1072 O GLY A 69 -12.596 9.776 -6.627 1.00 0.00 O ATOM 0 H GLY A 69 -9.866 8.687 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.453 10.331 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.696 9.312 -9.541 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.358 7.610 -7.234 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.779 7.087 -5.946 1.00 0.00 C ATOM 1078 C GLU A 70 -11.618 7.135 -4.950 1.00 0.00 C ATOM 1079 O GLU A 70 -10.598 6.477 -5.148 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.325 5.664 -6.083 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.722 5.671 -6.706 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.491 4.400 -6.342 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -14.836 3.337 -6.283 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -16.718 4.519 -6.131 1.00 0.00 O ATOM 0 H GLU A 70 -12.115 6.899 -7.924 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.585 7.715 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.651 5.070 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.362 5.189 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.274 6.545 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.640 5.753 -7.790 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.814 7.919 -3.900 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.796 8.061 -2.872 1.00 0.00 C ATOM 1093 C LYS A 71 -10.901 6.891 -1.892 1.00 0.00 C ATOM 1094 O LYS A 71 -11.907 6.746 -1.198 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.897 9.434 -2.205 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.836 10.555 -3.244 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.472 11.890 -2.591 1.00 0.00 C ATOM 1098 CE LYS A 71 -9.740 12.802 -3.578 1.00 0.00 C ATOM 1099 NZ LYS A 71 -9.572 14.156 -3.005 1.00 0.00 N ATOM 0 H LYS A 71 -12.662 8.462 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.800 8.019 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.830 9.503 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.085 9.554 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.099 10.307 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.799 10.643 -3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.377 12.384 -2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.843 11.713 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.765 12.379 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.300 12.862 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.074 14.762 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.506 14.563 -2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.018 14.095 -2.127 1.00 0.00 H new ATOM 1113 N LEU A 72 -9.848 6.087 -1.865 1.00 0.00 N ATOM 1114 CA LEU A 72 -9.809 4.935 -0.980 1.00 0.00 C ATOM 1115 C LEU A 72 -9.512 5.402 0.446 1.00 0.00 C ATOM 1116 O LEU A 72 -8.351 5.523 0.834 1.00 0.00 O ATOM 1117 CB LEU A 72 -8.821 3.891 -1.504 1.00 0.00 C ATOM 1118 CG LEU A 72 -8.861 3.627 -3.011 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -7.684 2.751 -3.445 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.205 3.027 -3.427 1.00 0.00 C ATOM 0 H LEU A 72 -9.016 6.211 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.779 4.439 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.813 4.208 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.007 2.951 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.761 4.581 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.736 2.578 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.748 3.254 -3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.729 1.796 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.207 2.849 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.360 2.084 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.007 3.720 -3.172 1.00 0.00 H new ATOM 1132 N THR A 73 -10.581 5.652 1.188 1.00 0.00 N ATOM 1133 CA THR A 73 -10.449 6.103 2.562 1.00 0.00 C ATOM 1134 C THR A 73 -11.123 5.114 3.515 1.00 0.00 C ATOM 1135 O THR A 73 -10.477 4.569 4.409 1.00 0.00 O ATOM 1136 CB THR A 73 -11.020 7.519 2.653 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.390 7.365 2.290 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.453 8.449 1.578 1.00 0.00 C ATOM 0 H THR A 73 -11.542 5.551 0.863 1.00 0.00 H new ATOM 0 HA THR A 73 -9.403 6.139 2.867 1.00 0.00 H new ATOM 0 HB THR A 73 -10.809 7.932 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.837 8.236 2.324 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.891 9.441 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.371 8.516 1.689 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.693 8.053 0.591 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.413 4.911 3.291 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.181 3.997 4.119 1.00 0.00 C ATOM 1148 C GLU A 74 -12.446 2.663 4.261 1.00 0.00 C ATOM 1149 O GLU A 74 -12.155 2.002 3.265 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.586 3.791 3.549 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.655 4.214 4.558 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.807 4.944 3.864 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.603 6.129 3.522 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.864 4.301 3.690 1.00 0.00 O ATOM 0 H GLU A 74 -12.946 5.364 2.548 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.287 4.438 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.698 4.369 2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.725 2.743 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.037 3.335 5.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.211 4.863 5.313 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.166 2.307 5.506 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.470 1.064 5.791 1.00 0.00 C ATOM 1163 C ASP A 75 -12.495 -0.049 6.018 1.00 0.00 C ATOM 1164 O ASP A 75 -12.290 -1.184 5.591 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.618 1.187 7.055 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.374 2.620 7.534 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -11.373 3.272 7.905 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -9.193 3.031 7.517 1.00 0.00 O ATOM 0 H ASP A 75 -12.409 2.858 6.329 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.825 0.837 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.102 0.629 7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.654 0.712 6.873 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.577 0.315 6.691 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.635 -0.638 6.981 1.00 0.00 C ATOM 1175 C ARG A 76 -15.266 -1.141 5.681 1.00 0.00 C ATOM 1176 O ARG A 76 -16.020 -2.113 5.688 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.720 -0.008 7.856 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.421 -0.225 9.341 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.891 -1.608 9.798 1.00 0.00 C ATOM 1180 NE ARG A 76 -17.196 -1.497 10.486 1.00 0.00 N ATOM 1181 CZ ARG A 76 -17.944 -2.547 10.852 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.521 -3.793 10.597 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -19.116 -2.352 11.472 1.00 0.00 N ATOM 0 H ARG A 76 -13.744 1.257 7.044 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.190 -1.474 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.786 1.060 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.689 -0.442 7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.350 -0.124 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.917 0.545 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.979 -2.273 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.153 -2.049 10.469 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.548 -0.563 10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.630 -3.942 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.091 -4.592 10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.439 -1.404 11.665 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.685 -3.152 11.750 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.934 -0.458 4.596 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.459 -0.823 3.291 1.00 0.00 C ATOM 1199 C LYS A 77 -14.432 -1.688 2.557 1.00 0.00 C ATOM 1200 O LYS A 77 -13.235 -1.411 2.604 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.879 0.426 2.513 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.585 0.048 1.210 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.570 1.139 0.784 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.885 0.528 0.293 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.998 1.488 0.465 1.00 0.00 N ATOM 0 H LYS A 77 -14.307 0.347 4.593 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.363 -1.422 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.542 1.035 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.001 1.034 2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.846 -0.107 0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -17.115 -0.895 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.766 1.806 1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.128 1.744 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.795 0.251 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.097 -0.387 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.883 1.058 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.094 1.732 1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.801 2.350 -0.083 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.938 -2.719 1.896 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.080 -3.626 1.153 1.00 0.00 C ATOM 1221 C LYS A 78 -13.754 -3.011 -0.209 1.00 0.00 C ATOM 1222 O LYS A 78 -14.520 -2.201 -0.729 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.717 -5.014 1.065 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.117 -5.523 2.451 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.621 -5.798 2.521 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.931 -6.887 3.550 1.00 0.00 C ATOM 1227 NZ LYS A 78 -18.165 -7.616 3.178 1.00 0.00 N ATOM 0 H LYS A 78 -15.932 -2.946 1.860 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.133 -3.768 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.595 -4.975 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.016 -5.711 0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.566 -6.435 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.843 -4.786 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.150 -4.882 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.984 -6.105 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.095 -7.584 3.614 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.049 -6.440 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.200 -8.522 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.996 -7.044 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.167 -7.796 2.154 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.615 -3.420 -0.750 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.177 -2.920 -2.042 1.00 0.00 C ATOM 1243 C LEU A 79 -13.177 -3.353 -3.116 1.00 0.00 C ATOM 1244 O LEU A 79 -13.516 -2.572 -4.004 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.740 -3.358 -2.327 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.750 -3.205 -1.170 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.348 -3.655 -1.585 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.756 -1.775 -0.628 1.00 0.00 C ATOM 0 H LEU A 79 -11.982 -4.092 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.159 -1.830 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.754 -4.405 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.368 -2.784 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.071 -3.858 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.664 -3.536 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.376 -4.703 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.004 -3.047 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.044 -1.694 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.474 -1.084 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.754 -1.526 -0.268 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.621 -4.596 -3.000 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.574 -5.142 -3.951 1.00 0.00 C ATOM 1262 C ARG A 80 -15.856 -4.306 -3.956 1.00 0.00 C ATOM 1263 O ARG A 80 -16.591 -4.295 -4.943 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.921 -6.593 -3.611 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.235 -6.748 -2.122 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.345 -7.777 -1.900 1.00 0.00 C ATOM 1267 NE ARG A 80 -16.139 -8.473 -0.611 1.00 0.00 N ATOM 1268 CZ ARG A 80 -17.099 -9.139 0.046 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.338 -9.202 -0.462 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -16.821 -9.741 1.210 1.00 0.00 N ATOM 0 H ARG A 80 -13.338 -5.241 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.112 -5.112 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.779 -6.913 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.088 -7.242 -3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.336 -7.056 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.538 -5.786 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.317 -7.283 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.351 -8.500 -2.716 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.208 -8.444 -0.196 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.550 -8.743 -1.348 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.069 -9.709 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.878 -9.693 1.597 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.552 -10.248 1.709 1.00 0.00 H new ATOM 1284 N ASP A 81 -16.086 -3.626 -2.842 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.266 -2.790 -2.706 1.00 0.00 C ATOM 1286 C ASP A 81 -17.003 -1.433 -3.360 1.00 0.00 C ATOM 1287 O ASP A 81 -17.916 -0.621 -3.504 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.602 -2.547 -1.233 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.690 -3.458 -0.659 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.728 -3.601 -1.340 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -18.458 -3.990 0.448 1.00 0.00 O ATOM 0 H ASP A 81 -15.475 -3.637 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 81 -18.099 -3.303 -3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.694 -2.674 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.917 -1.510 -1.114 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.750 -1.228 -3.740 1.00 0.00 N ATOM 1297 CA TYR A 82 -15.355 0.017 -4.376 1.00 0.00 C ATOM 1298 C TYR A 82 -15.107 -0.186 -5.872 1.00 0.00 C ATOM 1299 O TYR A 82 -14.788 0.763 -6.587 1.00 0.00 O ATOM 1300 CB TYR A 82 -14.044 0.435 -3.707 1.00 0.00 C ATOM 1301 CG TYR A 82 -14.204 1.542 -2.662 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -14.605 2.804 -3.050 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.948 1.277 -1.332 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -14.756 3.845 -2.067 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -14.099 2.319 -0.349 1.00 0.00 C ATOM 1306 CZ TYR A 82 -14.496 3.551 -0.765 1.00 0.00 C ATOM 1307 OH TYR A 82 -14.638 4.535 0.164 1.00 0.00 O ATOM 0 H TYR A 82 -14.995 -1.904 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 82 -16.138 0.768 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.596 -0.438 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.348 0.772 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.806 3.011 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.635 0.289 -1.028 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.069 4.837 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.901 2.126 0.695 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.332 5.162 -0.127 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.263 -1.430 -6.302 1.00 0.00 N ATOM 1318 CA GLY A 83 -15.060 -1.769 -7.700 1.00 0.00 C ATOM 1319 C GLY A 83 -13.668 -2.365 -7.923 1.00 0.00 C ATOM 1320 O GLY A 83 -13.386 -2.910 -8.989 1.00 0.00 O ATOM 0 H GLY A 83 -15.528 -2.215 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.820 -2.482 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -15.181 -0.877 -8.315 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.836 -2.241 -6.900 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.481 -2.760 -6.971 1.00 0.00 C ATOM 1326 C ILE A 84 -11.512 -4.280 -6.797 1.00 0.00 C ATOM 1327 O ILE A 84 -12.034 -4.784 -5.804 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.579 -2.045 -5.964 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.536 -0.540 -6.238 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.180 -2.663 -5.944 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.943 0.218 -5.049 1.00 0.00 C ATOM 0 H ILE A 84 -13.074 -1.789 -6.017 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.048 -2.559 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.005 -2.180 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.941 -0.346 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.543 -0.175 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.560 -2.136 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.251 -3.714 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.732 -2.580 -6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.924 1.285 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.554 0.042 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.927 -0.132 -4.864 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.946 -4.968 -7.778 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.902 -6.420 -7.746 1.00 0.00 C ATOM 1345 C ARG A 85 -9.459 -6.911 -7.879 1.00 0.00 C ATOM 1346 O ARG A 85 -8.527 -6.108 -7.910 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.744 -7.021 -8.873 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.218 -6.641 -8.718 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.857 -7.388 -7.545 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.298 -8.732 -7.980 1.00 0.00 N ATOM 1351 CZ ARG A 85 -13.536 -9.832 -7.909 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -12.291 -9.754 -7.420 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -14.019 -11.010 -8.327 1.00 0.00 N ATOM 0 H ARG A 85 -10.514 -4.546 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.312 -6.743 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.373 -6.670 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.642 -8.106 -8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.305 -5.566 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.756 -6.873 -9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.142 -7.478 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.708 -6.823 -7.163 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.241 -8.827 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.923 -8.857 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.711 -10.591 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -14.967 -11.069 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.439 -11.847 -8.273 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.320 -8.226 -7.955 1.00 0.00 N ATOM 1368 CA ASN A 86 -8.006 -8.833 -8.084 1.00 0.00 C ATOM 1369 C ASN A 86 -7.332 -8.315 -9.357 1.00 0.00 C ATOM 1370 O ASN A 86 -7.998 -8.077 -10.363 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.111 -10.356 -8.192 1.00 0.00 C ATOM 1372 CG ASN A 86 -8.530 -10.778 -9.602 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -9.675 -10.646 -10.003 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -7.542 -11.292 -10.328 1.00 0.00 N ATOM 0 H ASN A 86 -10.095 -8.888 -7.930 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.426 -8.573 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.151 -10.809 -7.943 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.836 -10.726 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.720 -11.605 -11.283 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.606 -11.374 -9.930 1.00 0.00 H new ATOM 1381 N ARG A 87 -6.020 -8.155 -9.270 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.249 -7.669 -10.402 1.00 0.00 C ATOM 1383 C ARG A 87 -5.669 -6.241 -10.756 1.00 0.00 C ATOM 1384 O ARG A 87 -6.074 -5.971 -11.885 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.441 -8.567 -11.625 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.108 -8.819 -12.334 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.239 -8.592 -13.842 1.00 0.00 C ATOM 1388 NE ARG A 87 -4.752 -9.816 -14.496 1.00 0.00 N ATOM 1389 CZ ARG A 87 -4.683 -10.049 -15.813 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -4.123 -9.143 -16.626 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -5.175 -11.189 -16.319 1.00 0.00 N ATOM 0 H ARG A 87 -5.471 -8.353 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.197 -7.682 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.879 -9.517 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.143 -8.101 -12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.344 -8.156 -11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.778 -9.840 -12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.913 -7.757 -14.035 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.270 -8.324 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.185 -10.527 -13.907 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.749 -8.275 -16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.071 -9.321 -17.629 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.602 -11.879 -15.701 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.122 -11.366 -17.322 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.557 -5.363 -9.769 1.00 0.00 N ATOM 1406 CA ASP A 88 -5.920 -3.970 -9.962 1.00 0.00 C ATOM 1407 C ASP A 88 -4.688 -3.090 -9.735 1.00 0.00 C ATOM 1408 O ASP A 88 -3.645 -3.577 -9.302 1.00 0.00 O ATOM 1409 CB ASP A 88 -6.999 -3.538 -8.967 1.00 0.00 C ATOM 1410 CG ASP A 88 -7.686 -2.211 -9.294 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -7.129 -1.168 -8.888 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -8.754 -2.269 -9.942 1.00 0.00 O ATOM 0 H ASP A 88 -5.220 -5.590 -8.834 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.301 -3.859 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.757 -4.319 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.550 -3.463 -7.977 1.00 0.00 H new ATOM 1417 N GLU A 89 -4.851 -1.811 -10.036 1.00 0.00 N ATOM 1418 CA GLU A 89 -3.765 -0.859 -9.870 1.00 0.00 C ATOM 1419 C GLU A 89 -4.264 0.395 -9.150 1.00 0.00 C ATOM 1420 O GLU A 89 -5.037 1.171 -9.711 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.136 -0.504 -11.219 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.400 -1.705 -11.815 1.00 0.00 C ATOM 1423 CD GLU A 89 -2.903 -2.011 -13.227 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.330 -1.428 -14.172 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.849 -2.822 -13.329 1.00 0.00 O ATOM 0 H GLU A 89 -5.718 -1.411 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.992 -1.322 -9.257 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.911 -0.169 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.441 0.326 -11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.329 -1.503 -11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.543 -2.577 -11.177 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.802 0.556 -7.919 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.192 1.703 -7.117 1.00 0.00 C ATOM 1434 C VAL A 90 -3.047 2.717 -7.094 1.00 0.00 C ATOM 1435 O VAL A 90 -1.878 2.340 -7.167 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.614 1.245 -5.719 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.487 2.385 -4.707 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -6.035 0.679 -5.733 1.00 0.00 C ATOM 0 H VAL A 90 -3.161 -0.089 -7.457 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.057 2.200 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.939 0.447 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.793 2.033 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.451 2.722 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.126 3.214 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.310 0.361 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.729 1.447 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.080 -0.175 -6.409 1.00 0.00 H new ATOM 1448 N SER A 91 -3.422 3.983 -6.991 1.00 0.00 N ATOM 1449 CA SER A 91 -2.440 5.054 -6.957 1.00 0.00 C ATOM 1450 C SER A 91 -2.572 5.844 -5.654 1.00 0.00 C ATOM 1451 O SER A 91 -3.542 5.674 -4.916 1.00 0.00 O ATOM 1452 CB SER A 91 -2.600 5.985 -8.161 1.00 0.00 C ATOM 1453 OG SER A 91 -3.232 5.335 -9.260 1.00 0.00 O ATOM 0 H SER A 91 -4.392 4.292 -6.930 1.00 0.00 H new ATOM 0 HA SER A 91 -1.446 4.609 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.186 6.856 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.620 6.349 -8.470 1.00 0.00 H new ATOM 0 HG SER A 91 -3.317 5.964 -10.007 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.583 6.690 -5.409 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.576 7.507 -4.207 1.00 0.00 C ATOM 1461 C PHE A 92 -2.026 8.936 -4.513 1.00 0.00 C ATOM 1462 O PHE A 92 -2.037 9.354 -5.670 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.135 7.537 -3.695 1.00 0.00 C ATOM 1464 CG PHE A 92 0.150 6.530 -2.579 1.00 0.00 C ATOM 1465 CD1 PHE A 92 0.567 5.272 -2.888 1.00 0.00 C ATOM 1466 CD2 PHE A 92 -0.013 6.892 -1.278 1.00 0.00 C ATOM 1467 CE1 PHE A 92 0.831 4.338 -1.852 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.251 5.957 -0.242 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.668 4.700 -0.551 1.00 0.00 C ATOM 0 H PHE A 92 -0.780 6.828 -6.023 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.261 7.089 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.540 7.341 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.090 8.540 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.697 4.984 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.343 7.891 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.161 3.339 -2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.121 6.244 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.870 3.989 0.237 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.387 9.648 -3.456 1.00 0.00 N ATOM 1480 CA ILE A 93 -2.837 11.023 -3.597 1.00 0.00 C ATOM 1481 C ILE A 93 -2.336 11.843 -2.407 1.00 0.00 C ATOM 1482 O ILE A 93 -2.067 11.295 -1.339 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.355 11.073 -3.783 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -4.864 12.516 -3.750 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.063 10.192 -2.752 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.272 12.614 -4.341 1.00 0.00 C ATOM 0 H ILE A 93 -2.377 9.299 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.414 11.473 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.592 10.670 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.871 12.880 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.185 13.158 -4.311 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.141 10.246 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.731 9.160 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.822 10.542 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.610 13.650 -4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.257 12.272 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.953 11.990 -3.763 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.226 13.145 -2.631 1.00 0.00 N ATOM 1499 CA LYS A 94 -1.762 14.046 -1.590 1.00 0.00 C ATOM 1500 C LYS A 94 -2.939 14.881 -1.082 1.00 0.00 C ATOM 1501 O LYS A 94 -3.740 15.376 -1.874 1.00 0.00 O ATOM 1502 CB LYS A 94 -0.585 14.885 -2.093 1.00 0.00 C ATOM 1503 CG LYS A 94 0.056 15.672 -0.949 1.00 0.00 C ATOM 1504 CD LYS A 94 0.041 17.174 -1.241 1.00 0.00 C ATOM 1505 CE LYS A 94 0.394 17.980 0.011 1.00 0.00 C ATOM 1506 NZ LYS A 94 0.491 19.421 -0.310 1.00 0.00 N ATOM 0 H LYS A 94 -2.450 13.597 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.381 13.481 -0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.159 14.235 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.928 15.574 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.480 15.473 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.083 15.337 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.752 17.401 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.945 17.468 -1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.365 17.823 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.340 17.629 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.731 19.953 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.231 19.568 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.421 19.756 -0.681 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.006 15.012 0.234 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.072 15.778 0.857 1.00 0.00 C ATOM 1522 C LYS A 95 -3.984 17.235 0.396 1.00 0.00 C ATOM 1523 O LYS A 95 -3.137 17.579 -0.427 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.035 15.611 2.377 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.863 14.401 2.816 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.620 14.696 4.112 1.00 0.00 C ATOM 1527 CE LYS A 95 -7.031 15.211 3.818 1.00 0.00 C ATOM 1528 NZ LYS A 95 -7.567 15.948 4.984 1.00 0.00 N ATOM 0 H LYS A 95 -2.339 14.600 0.887 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.045 15.401 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.004 15.490 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.419 16.512 2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.570 14.135 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.209 13.541 2.960 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.678 13.791 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.073 15.436 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.012 15.864 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.687 14.375 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -8.525 16.291 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.604 15.315 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.950 16.757 5.197 1.00 0.00 H new ATOM 1542 N LEU A 96 -4.870 18.051 0.947 1.00 0.00 N ATOM 1543 CA LEU A 96 -4.902 19.463 0.603 1.00 0.00 C ATOM 1544 C LEU A 96 -4.133 20.258 1.660 1.00 0.00 C ATOM 1545 O LEU A 96 -4.718 20.730 2.634 1.00 0.00 O ATOM 1546 CB LEU A 96 -6.345 19.933 0.407 1.00 0.00 C ATOM 1547 CG LEU A 96 -6.532 21.173 -0.469 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -6.904 20.782 -1.900 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -7.554 22.131 0.147 1.00 0.00 C ATOM 0 H LEU A 96 -5.571 17.762 1.629 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.403 19.635 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.917 19.114 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.777 20.136 1.387 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.581 21.704 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.031 21.682 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.111 20.169 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.836 20.216 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.668 23.004 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.514 21.625 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.209 22.448 1.131 1.00 0.00 H new ATOM 1561 N GLY A 97 -2.834 20.384 1.431 1.00 0.00 N ATOM 1562 CA GLY A 97 -1.980 21.114 2.352 1.00 0.00 C ATOM 1563 C GLY A 97 -0.950 21.955 1.594 1.00 0.00 C ATOM 1564 O GLY A 97 -1.189 22.360 0.457 1.00 0.00 O ATOM 0 H GLY A 97 -2.352 19.993 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.589 21.761 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.468 20.414 3.012 1.00 0.00 H new ATOM 1568 N GLN A 98 0.174 22.191 2.254 1.00 0.00 N ATOM 1569 CA GLN A 98 1.242 22.976 1.656 1.00 0.00 C ATOM 1570 C GLN A 98 2.605 22.396 2.038 1.00 0.00 C ATOM 1571 O GLN A 98 3.225 22.840 3.003 1.00 0.00 O ATOM 1572 CB GLN A 98 1.137 24.446 2.067 1.00 0.00 C ATOM 1573 CG GLN A 98 1.086 25.357 0.839 1.00 0.00 C ATOM 1574 CD GLN A 98 0.626 26.765 1.219 1.00 0.00 C ATOM 1575 OE1 GLN A 98 0.092 27.004 2.290 1.00 0.00 O ATOM 1576 NE2 GLN A 98 0.862 27.682 0.285 1.00 0.00 N ATOM 0 H GLN A 98 0.369 21.853 3.196 1.00 0.00 H new ATOM 0 HA GLN A 98 1.139 22.927 0.572 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.243 24.595 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.991 24.715 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.072 25.405 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.406 24.936 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.313 27.415 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.592 28.653 0.444 1.00 0.00 H new ATOM 1585 N LYS A 99 3.031 21.411 1.261 1.00 0.00 N ATOM 1586 CA LYS A 99 4.310 20.765 1.505 1.00 0.00 C ATOM 1587 C LYS A 99 4.224 19.946 2.796 1.00 0.00 C ATOM 1588 O LYS A 99 4.261 18.718 2.759 1.00 0.00 O ATOM 1589 CB LYS A 99 5.440 21.796 1.505 1.00 0.00 C ATOM 1590 CG LYS A 99 6.164 21.815 0.157 1.00 0.00 C ATOM 1591 CD LYS A 99 7.609 21.335 0.304 1.00 0.00 C ATOM 1592 CE LYS A 99 8.240 21.070 -1.065 1.00 0.00 C ATOM 1593 NZ LYS A 99 8.428 22.339 -1.803 1.00 0.00 N ATOM 0 H LYS A 99 2.513 21.044 0.462 1.00 0.00 H new ATOM 0 HA LYS A 99 4.545 20.069 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.035 22.785 1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.149 21.564 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.636 21.178 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.152 22.825 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.193 22.085 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.635 20.425 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.200 20.570 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.604 20.398 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.873 22.143 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.504 22.793 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.039 22.974 -1.251 1.00 0.00 H new ATOM 1607 N SER A 100 4.112 20.661 3.905 1.00 0.00 N ATOM 1608 CA SER A 100 4.021 20.017 5.205 1.00 0.00 C ATOM 1609 C SER A 100 5.318 19.264 5.507 1.00 0.00 C ATOM 1610 O SER A 100 5.663 18.311 4.810 1.00 0.00 O ATOM 1611 CB SER A 100 2.826 19.062 5.263 1.00 0.00 C ATOM 1612 OG SER A 100 1.716 19.638 5.946 1.00 0.00 O ATOM 0 H SER A 100 4.082 21.680 3.931 1.00 0.00 H new ATOM 0 HA SER A 100 3.872 20.789 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.528 18.792 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.122 18.141 5.764 1.00 0.00 H new ATOM 0 HG SER A 100 0.973 18.999 5.960 1.00 0.00 H new ATOM 1618 N GLY A 101 6.000 19.719 6.547 1.00 0.00 N ATOM 1619 CA GLY A 101 7.251 19.100 6.951 1.00 0.00 C ATOM 1620 C GLY A 101 8.363 19.404 5.944 1.00 0.00 C ATOM 1621 O GLY A 101 8.476 18.736 4.918 1.00 0.00 O ATOM 0 H GLY A 101 5.710 20.510 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.539 19.464 7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.117 18.022 7.036 1.00 0.00 H new ATOM 1625 N PRO A 102 9.176 20.440 6.282 1.00 0.00 N ATOM 1626 CA PRO A 102 10.275 20.841 5.420 1.00 0.00 C ATOM 1627 C PRO A 102 11.437 19.851 5.517 1.00 0.00 C ATOM 1628 O PRO A 102 12.345 20.031 6.328 1.00 0.00 O ATOM 1629 CB PRO A 102 10.646 22.241 5.881 1.00 0.00 C ATOM 1630 CG PRO A 102 10.060 22.390 7.276 1.00 0.00 C ATOM 1631 CD PRO A 102 9.072 21.255 7.489 1.00 0.00 C ATOM 0 HA PRO A 102 10.003 20.843 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.728 22.373 5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.242 22.995 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.849 22.356 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.562 23.354 7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.319 20.677 8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.059 21.633 7.625 1.00 0.00 H new ATOM 1639 N SER A 103 11.373 18.828 4.678 1.00 0.00 N ATOM 1640 CA SER A 103 12.409 17.809 4.660 1.00 0.00 C ATOM 1641 C SER A 103 12.253 16.927 3.419 1.00 0.00 C ATOM 1642 O SER A 103 13.170 16.826 2.606 1.00 0.00 O ATOM 1643 CB SER A 103 12.364 16.954 5.928 1.00 0.00 C ATOM 1644 OG SER A 103 13.464 16.052 6.002 1.00 0.00 O ATOM 0 H SER A 103 10.620 18.683 4.006 1.00 0.00 H new ATOM 0 HA SER A 103 13.378 18.307 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.368 17.603 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.431 16.391 5.953 1.00 0.00 H new ATOM 0 HG SER A 103 13.400 15.525 6.826 1.00 0.00 H new ATOM 1650 N SER A 104 11.085 16.311 3.313 1.00 0.00 N ATOM 1651 CA SER A 104 10.797 15.441 2.186 1.00 0.00 C ATOM 1652 C SER A 104 9.295 15.161 2.110 1.00 0.00 C ATOM 1653 O SER A 104 8.517 15.719 2.882 1.00 0.00 O ATOM 1654 CB SER A 104 11.577 14.128 2.290 1.00 0.00 C ATOM 1655 OG SER A 104 11.468 13.544 3.585 1.00 0.00 O ATOM 0 H SER A 104 10.327 16.397 3.990 1.00 0.00 H new ATOM 0 HA SER A 104 11.112 15.948 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 104 11.206 13.426 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.627 14.311 2.062 1.00 0.00 H new ATOM 0 HG SER A 104 11.978 12.707 3.611 1.00 0.00 H new ATOM 1661 N GLY A 105 8.933 14.298 1.173 1.00 0.00 N ATOM 1662 CA GLY A 105 7.537 13.937 0.987 1.00 0.00 C ATOM 1663 C GLY A 105 7.202 12.641 1.728 1.00 0.00 C ATOM 1664 O GLY A 105 8.090 11.984 2.268 1.00 0.00 O ATOM 0 H GLY A 105 9.581 13.838 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.898 14.743 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.327 13.817 -0.076 1.00 0.00 H new TER 1668 GLY A 105