USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 767 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 95 HIS : no HE2:sc= -0.793 K(o=-0.4,f=-3.3) USER MOD Set 1.2: A 97 LYS NZ :NH3+ -120:sc= 0.394 (180deg=0) USER MOD Set 2.1: A 76 ASN : amide:sc= -5.97! C(o=-12!,f=-16!) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -6.41! C(o=-16!,f=-12!) USER MOD Set 3.1: A 24 THR OG1 : rot 156:sc= 0.391 USER MOD Set 3.2: A 85 GLN : amide:sc= -5.37! C(o=-5!,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -145:sc= -0.18 (180deg=-0.887) USER MOD Single : A 14 THR OG1 : rot 32:sc= -4.37! USER MOD Single : A 15 ASN : amide:sc= -4.21! C(o=-4.2!,f=-8.6!) USER MOD Single : A 17 TYR OH : rot -167:sc= -6.12! USER MOD Single : A 19 THR OG1 : rot 180:sc= -4.5! USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 29 GLN : amide:sc= -1.06 K(o=-1.1,f=-5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.0475 (180deg=-0.303) USER MOD Single : A 37 TYR OH : rot 180:sc= -2.08! USER MOD Single : A 39 SER OG : rot 54:sc= 0.697 USER MOD Single : A 42 GLN : amide:sc= -0.779 K(o=-0.78,f=-1.4!) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 0.35 (180deg=0.118) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 169:sc= -6.73! USER MOD Single : A 63 ASN :FLIP amide:sc= -28.9! C(o=-30!,f=-29!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -139:sc= -0.262 USER MOD Single : A 88 SER OG : rot 180:sc= -0.481 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.501 16.432 -0.143 1.00 0.00 N ATOM 2 CA MET A 1 -14.642 15.935 0.677 1.00 0.00 C ATOM 3 C MET A 1 -15.362 14.818 -0.080 1.00 0.00 C ATOM 4 O MET A 1 -16.504 14.956 -0.472 1.00 0.00 O ATOM 5 CB MET A 1 -15.615 17.086 0.946 1.00 0.00 C ATOM 6 CG MET A 1 -15.612 17.419 2.440 1.00 0.00 C ATOM 7 SD MET A 1 -14.783 19.006 2.703 1.00 0.00 S ATOM 8 CE MET A 1 -13.902 18.556 4.218 1.00 0.00 C ATOM 0 H1 MET A 1 -13.010 17.192 0.370 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.838 15.652 -0.324 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.858 16.800 -1.048 1.00 0.00 H new ATOM 0 HA MET A 1 -14.270 15.548 1.626 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.326 17.963 0.367 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.620 16.809 0.626 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.634 17.464 2.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.102 16.633 2.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.314 19.406 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.621 18.276 4.987 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.239 17.714 4.017 1.00 0.00 H new ATOM 20 N SER A 2 -14.701 13.712 -0.291 1.00 0.00 N ATOM 21 CA SER A 2 -15.343 12.582 -1.024 1.00 0.00 C ATOM 22 C SER A 2 -15.747 11.493 -0.029 1.00 0.00 C ATOM 23 O SER A 2 -15.132 10.449 0.039 1.00 0.00 O ATOM 24 CB SER A 2 -14.348 12.005 -2.032 1.00 0.00 C ATOM 25 OG SER A 2 -14.024 12.999 -2.993 1.00 0.00 O ATOM 0 H SER A 2 -13.742 13.542 0.013 1.00 0.00 H new ATOM 0 HA SER A 2 -16.229 12.942 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.446 11.671 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.777 11.132 -2.525 1.00 0.00 H new ATOM 0 HG SER A 2 -13.385 12.633 -3.640 1.00 0.00 H new ATOM 31 N TYR A 3 -16.775 11.730 0.740 1.00 0.00 N ATOM 32 CA TYR A 3 -17.225 10.712 1.734 1.00 0.00 C ATOM 33 C TYR A 3 -16.232 10.662 2.903 1.00 0.00 C ATOM 34 O TYR A 3 -16.464 11.237 3.949 1.00 0.00 O ATOM 35 CB TYR A 3 -17.317 9.336 1.065 1.00 0.00 C ATOM 36 CG TYR A 3 -18.075 9.452 -0.238 1.00 0.00 C ATOM 37 CD1 TYR A 3 -19.447 9.733 -0.228 1.00 0.00 C ATOM 38 CD2 TYR A 3 -17.406 9.272 -1.455 1.00 0.00 C ATOM 39 CE1 TYR A 3 -20.149 9.835 -1.436 1.00 0.00 C ATOM 40 CE2 TYR A 3 -18.108 9.374 -2.662 1.00 0.00 C ATOM 41 CZ TYR A 3 -19.479 9.656 -2.652 1.00 0.00 C ATOM 42 OH TYR A 3 -20.171 9.756 -3.842 1.00 0.00 O ATOM 0 H TYR A 3 -17.325 12.589 0.723 1.00 0.00 H new ATOM 0 HA TYR A 3 -18.210 10.987 2.112 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.317 8.943 0.881 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -17.820 8.632 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -19.963 9.871 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.348 9.054 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -21.207 10.052 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -17.592 9.235 -3.600 1.00 0.00 H new ATOM 0 HH TYR A 3 -19.557 9.606 -4.591 1.00 0.00 H new ATOM 52 N ALA A 4 -15.128 9.982 2.739 1.00 0.00 N ATOM 53 CA ALA A 4 -14.126 9.900 3.838 1.00 0.00 C ATOM 54 C ALA A 4 -12.844 9.270 3.293 1.00 0.00 C ATOM 55 O ALA A 4 -11.823 9.917 3.175 1.00 0.00 O ATOM 56 CB ALA A 4 -14.674 9.039 4.975 1.00 0.00 C ATOM 0 H ALA A 4 -14.878 9.479 1.888 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.917 10.900 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.937 8.982 5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.593 9.484 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.884 8.036 4.603 1.00 0.00 H new ATOM 62 N ARG A 5 -12.894 8.013 2.948 1.00 0.00 N ATOM 63 CA ARG A 5 -11.684 7.343 2.398 1.00 0.00 C ATOM 64 C ARG A 5 -11.359 7.958 1.037 1.00 0.00 C ATOM 65 O ARG A 5 -12.097 8.786 0.541 1.00 0.00 O ATOM 66 CB ARG A 5 -11.961 5.846 2.237 1.00 0.00 C ATOM 67 CG ARG A 5 -12.476 5.277 3.560 1.00 0.00 C ATOM 68 CD ARG A 5 -11.294 4.793 4.400 1.00 0.00 C ATOM 69 NE ARG A 5 -11.447 5.276 5.801 1.00 0.00 N ATOM 70 CZ ARG A 5 -11.111 6.497 6.113 1.00 0.00 C ATOM 71 NH1 ARG A 5 -10.044 7.035 5.587 1.00 0.00 N ATOM 72 NH2 ARG A 5 -11.841 7.181 6.951 1.00 0.00 N ATOM 0 H ARG A 5 -13.721 7.421 3.024 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.840 7.478 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.696 5.684 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.051 5.327 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.034 6.039 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.163 4.453 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.244 3.704 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.359 5.161 3.977 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.815 4.651 6.518 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.473 6.500 4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.781 7.990 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -12.675 6.761 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.578 8.136 7.195 1.00 0.00 H new ATOM 86 N PRO A 6 -10.262 7.536 0.472 1.00 0.00 N ATOM 87 CA PRO A 6 -9.895 8.098 -0.847 1.00 0.00 C ATOM 88 C PRO A 6 -10.060 7.038 -1.938 1.00 0.00 C ATOM 89 O PRO A 6 -10.159 5.859 -1.662 1.00 0.00 O ATOM 90 CB PRO A 6 -8.428 8.494 -0.699 1.00 0.00 C ATOM 91 CG PRO A 6 -7.865 7.636 0.448 1.00 0.00 C ATOM 92 CD PRO A 6 -9.072 7.174 1.281 1.00 0.00 C ATOM 0 HA PRO A 6 -10.523 8.942 -1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.881 8.314 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.332 9.556 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.313 6.781 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.170 8.212 1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.034 6.101 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.092 7.667 2.253 1.00 0.00 H new ATOM 100 N GLY A 7 -10.086 7.448 -3.175 1.00 0.00 N ATOM 101 CA GLY A 7 -10.240 6.463 -4.285 1.00 0.00 C ATOM 102 C GLY A 7 -8.934 6.381 -5.078 1.00 0.00 C ATOM 103 O GLY A 7 -7.920 6.919 -4.676 1.00 0.00 O ATOM 0 H GLY A 7 -10.007 8.422 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.496 5.483 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.058 6.762 -4.940 1.00 0.00 H new ATOM 107 N GLY A 8 -8.944 5.714 -6.201 1.00 0.00 N ATOM 108 CA GLY A 8 -7.697 5.603 -7.009 1.00 0.00 C ATOM 109 C GLY A 8 -8.048 5.310 -8.470 1.00 0.00 C ATOM 110 O GLY A 8 -8.862 5.983 -9.070 1.00 0.00 O ATOM 0 H GLY A 8 -9.760 5.243 -6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.126 6.529 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.065 4.809 -6.611 1.00 0.00 H new ATOM 114 N GLU A 9 -7.435 4.312 -9.047 1.00 0.00 N ATOM 115 CA GLU A 9 -7.728 3.975 -10.470 1.00 0.00 C ATOM 116 C GLU A 9 -8.851 2.939 -10.534 1.00 0.00 C ATOM 117 O GLU A 9 -9.367 2.503 -9.525 1.00 0.00 O ATOM 118 CB GLU A 9 -6.471 3.402 -11.126 1.00 0.00 C ATOM 119 CG GLU A 9 -6.143 4.202 -12.387 1.00 0.00 C ATOM 120 CD GLU A 9 -6.098 5.693 -12.047 1.00 0.00 C ATOM 121 OE1 GLU A 9 -5.504 6.034 -11.037 1.00 0.00 O ATOM 122 OE2 GLU A 9 -6.660 6.469 -12.802 1.00 0.00 O ATOM 0 H GLU A 9 -6.743 3.715 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.038 4.877 -10.998 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.634 3.442 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.626 2.353 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.184 3.882 -12.795 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.894 4.016 -13.155 1.00 0.00 H new ATOM 129 N SER A 10 -9.237 2.543 -11.717 1.00 0.00 N ATOM 130 CA SER A 10 -10.330 1.537 -11.845 1.00 0.00 C ATOM 131 C SER A 10 -9.756 0.206 -12.337 1.00 0.00 C ATOM 132 O SER A 10 -10.278 -0.410 -13.245 1.00 0.00 O ATOM 133 CB SER A 10 -11.371 2.045 -12.841 1.00 0.00 C ATOM 134 OG SER A 10 -12.522 2.487 -12.132 1.00 0.00 O ATOM 0 H SER A 10 -8.843 2.872 -12.599 1.00 0.00 H new ATOM 0 HA SER A 10 -10.798 1.386 -10.872 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.957 2.862 -13.432 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.641 1.252 -13.538 1.00 0.00 H new ATOM 0 HG SER A 10 -13.192 2.815 -12.768 1.00 0.00 H new ATOM 140 N ILE A 11 -8.691 -0.247 -11.736 1.00 0.00 N ATOM 141 CA ILE A 11 -8.088 -1.543 -12.160 1.00 0.00 C ATOM 142 C ILE A 11 -8.541 -2.644 -11.195 1.00 0.00 C ATOM 143 O ILE A 11 -8.004 -2.799 -10.122 1.00 0.00 O ATOM 144 CB ILE A 11 -6.557 -1.411 -12.161 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.902 -2.734 -12.607 1.00 0.00 C ATOM 146 CG2 ILE A 11 -6.070 -1.022 -10.765 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.034 -3.803 -11.518 1.00 0.00 C ATOM 0 H ILE A 11 -8.211 0.224 -10.969 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.415 -1.804 -13.167 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.271 -0.632 -12.867 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.371 -3.085 -13.526 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.849 -2.566 -12.831 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.984 -0.930 -10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.514 -0.069 -10.477 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.365 -1.790 -10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.564 -4.727 -11.856 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.543 -3.458 -10.608 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.089 -3.986 -11.314 1.00 0.00 H new ATOM 159 N LYS A 12 -9.537 -3.398 -11.585 1.00 0.00 N ATOM 160 CA LYS A 12 -10.068 -4.507 -10.728 1.00 0.00 C ATOM 161 C LYS A 12 -10.999 -3.958 -9.641 1.00 0.00 C ATOM 162 O LYS A 12 -12.154 -4.326 -9.573 1.00 0.00 O ATOM 163 CB LYS A 12 -8.930 -5.300 -10.078 1.00 0.00 C ATOM 164 CG LYS A 12 -8.874 -6.698 -10.694 1.00 0.00 C ATOM 165 CD LYS A 12 -9.199 -7.735 -9.619 1.00 0.00 C ATOM 166 CE LYS A 12 -7.924 -8.473 -9.214 1.00 0.00 C ATOM 167 NZ LYS A 12 -7.389 -9.222 -10.387 1.00 0.00 N ATOM 0 H LYS A 12 -10.016 -3.291 -12.479 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.633 -5.177 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.981 -4.786 -10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.088 -5.370 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.585 -6.775 -11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.884 -6.886 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.640 -7.246 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.937 -8.444 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.180 -7.764 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.134 -9.161 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.962 -10.113 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.164 -9.429 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.668 -8.646 -10.867 1.00 0.00 H new ATOM 181 N ASP A 13 -10.529 -3.089 -8.786 1.00 0.00 N ATOM 182 CA ASP A 13 -11.437 -2.561 -7.731 1.00 0.00 C ATOM 183 C ASP A 13 -10.902 -1.246 -7.128 1.00 0.00 C ATOM 184 O ASP A 13 -11.085 -0.187 -7.696 1.00 0.00 O ATOM 185 CB ASP A 13 -11.650 -3.626 -6.650 1.00 0.00 C ATOM 186 CG ASP A 13 -13.099 -4.122 -6.700 1.00 0.00 C ATOM 187 OD1 ASP A 13 -13.914 -3.449 -7.308 1.00 0.00 O ATOM 188 OD2 ASP A 13 -13.367 -5.166 -6.130 1.00 0.00 O ATOM 0 H ASP A 13 -9.575 -2.729 -8.772 1.00 0.00 H new ATOM 0 HA ASP A 13 -12.399 -2.329 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.964 -4.459 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.430 -3.210 -5.667 1.00 0.00 H new ATOM 193 N THR A 14 -10.264 -1.282 -5.979 1.00 0.00 N ATOM 194 CA THR A 14 -9.765 -0.035 -5.368 1.00 0.00 C ATOM 195 C THR A 14 -8.236 0.025 -5.480 1.00 0.00 C ATOM 196 O THR A 14 -7.672 -0.213 -6.530 1.00 0.00 O ATOM 197 CB THR A 14 -10.226 0.013 -3.908 1.00 0.00 C ATOM 198 OG1 THR A 14 -10.046 -1.262 -3.315 1.00 0.00 O ATOM 199 CG2 THR A 14 -11.704 0.388 -3.865 1.00 0.00 C ATOM 0 H THR A 14 -10.074 -2.131 -5.447 1.00 0.00 H new ATOM 0 HA THR A 14 -10.166 0.834 -5.891 1.00 0.00 H new ATOM 0 HB THR A 14 -9.642 0.753 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.273 -1.706 -3.722 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.040 0.424 -2.829 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.845 1.365 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.284 -0.357 -4.409 1.00 0.00 H new ATOM 207 N ASN A 15 -7.570 0.365 -4.421 1.00 0.00 N ATOM 208 CA ASN A 15 -6.086 0.474 -4.451 1.00 0.00 C ATOM 209 C ASN A 15 -5.561 0.505 -3.013 1.00 0.00 C ATOM 210 O ASN A 15 -6.287 0.253 -2.072 1.00 0.00 O ATOM 211 CB ASN A 15 -5.710 1.773 -5.163 1.00 0.00 C ATOM 212 CG ASN A 15 -4.606 1.505 -6.182 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.608 2.195 -6.199 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.743 0.531 -7.039 1.00 0.00 N ATOM 0 H ASN A 15 -7.995 0.576 -3.518 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.651 -0.376 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.584 2.191 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.374 2.513 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.010 0.348 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.583 -0.048 -7.023 1.00 0.00 H new ATOM 221 N LEU A 16 -4.313 0.845 -2.835 1.00 0.00 N ATOM 222 CA LEU A 16 -3.751 0.933 -1.457 1.00 0.00 C ATOM 223 C LEU A 16 -2.571 1.912 -1.476 1.00 0.00 C ATOM 224 O LEU A 16 -1.623 1.752 -2.216 1.00 0.00 O ATOM 225 CB LEU A 16 -3.303 -0.464 -0.986 1.00 0.00 C ATOM 226 CG LEU A 16 -3.223 -0.551 0.552 1.00 0.00 C ATOM 227 CD1 LEU A 16 -4.284 0.341 1.201 1.00 0.00 C ATOM 228 CD2 LEU A 16 -3.490 -1.996 0.964 1.00 0.00 C ATOM 0 H LEU A 16 -3.658 1.066 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.506 1.295 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.002 -1.214 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.328 -0.697 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.236 -0.221 0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.210 0.264 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.124 1.376 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.275 0.019 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.438 -2.080 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.482 -2.294 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.741 -2.647 0.513 1.00 0.00 H new ATOM 240 N TYR A 17 -2.636 2.949 -0.689 1.00 0.00 N ATOM 241 CA TYR A 17 -1.531 3.950 -0.686 1.00 0.00 C ATOM 242 C TYR A 17 -0.760 3.863 0.630 1.00 0.00 C ATOM 243 O TYR A 17 -1.297 4.101 1.693 1.00 0.00 O ATOM 244 CB TYR A 17 -2.124 5.351 -0.845 1.00 0.00 C ATOM 245 CG TYR A 17 -1.024 6.381 -0.761 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.214 6.131 -1.364 1.00 0.00 C ATOM 247 CD2 TYR A 17 -1.241 7.589 -0.084 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.235 7.085 -1.290 1.00 0.00 C ATOM 249 CE2 TYR A 17 -0.219 8.544 -0.011 1.00 0.00 C ATOM 250 CZ TYR A 17 1.019 8.291 -0.615 1.00 0.00 C ATOM 251 OH TYR A 17 2.024 9.232 -0.545 1.00 0.00 O ATOM 0 H TYR A 17 -3.405 3.147 -0.048 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.849 3.745 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.639 5.432 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.866 5.533 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.381 5.201 -1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.196 7.783 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.190 6.890 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.386 9.475 0.511 1.00 0.00 H new ATOM 0 HH TYR A 17 1.791 9.911 0.122 1.00 0.00 H new ATOM 261 N VAL A 18 0.497 3.521 0.568 1.00 0.00 N ATOM 262 CA VAL A 18 1.303 3.412 1.814 1.00 0.00 C ATOM 263 C VAL A 18 2.368 4.512 1.847 1.00 0.00 C ATOM 264 O VAL A 18 3.083 4.720 0.893 1.00 0.00 O ATOM 265 CB VAL A 18 1.992 2.050 1.848 1.00 0.00 C ATOM 266 CG1 VAL A 18 0.944 0.951 2.020 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.748 1.829 0.536 1.00 0.00 C ATOM 0 H VAL A 18 1.001 3.312 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 18 0.645 3.521 2.676 1.00 0.00 H new ATOM 0 HB VAL A 18 2.692 2.019 2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.437 -0.021 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.403 1.107 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.244 0.982 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.240 0.857 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.047 1.861 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.496 2.612 0.411 1.00 0.00 H new ATOM 277 N THR A 19 2.483 5.208 2.945 1.00 0.00 N ATOM 278 CA THR A 19 3.511 6.286 3.044 1.00 0.00 C ATOM 279 C THR A 19 4.358 6.050 4.298 1.00 0.00 C ATOM 280 O THR A 19 4.305 4.994 4.896 1.00 0.00 O ATOM 281 CB THR A 19 2.807 7.646 3.141 1.00 0.00 C ATOM 282 OG1 THR A 19 3.751 8.690 2.956 1.00 0.00 O ATOM 283 CG2 THR A 19 2.144 7.791 4.513 1.00 0.00 C ATOM 0 H THR A 19 1.910 5.078 3.779 1.00 0.00 H new ATOM 0 HA THR A 19 4.153 6.275 2.163 1.00 0.00 H new ATOM 0 HB THR A 19 2.044 7.708 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.297 9.556 3.017 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.646 8.758 4.576 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.411 6.996 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.903 7.722 5.293 1.00 0.00 H new ATOM 291 N ASN A 20 5.128 7.028 4.700 1.00 0.00 N ATOM 292 CA ASN A 20 5.979 6.881 5.922 1.00 0.00 C ATOM 293 C ASN A 20 7.272 6.131 5.583 1.00 0.00 C ATOM 294 O ASN A 20 8.353 6.679 5.670 1.00 0.00 O ATOM 295 CB ASN A 20 5.207 6.119 7.005 1.00 0.00 C ATOM 296 CG ASN A 20 5.261 6.905 8.317 1.00 0.00 C ATOM 297 OD1 ASN A 20 6.038 6.591 9.195 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.459 7.922 8.487 1.00 0.00 N ATOM 0 H ASN A 20 5.205 7.930 4.231 1.00 0.00 H new ATOM 0 HA ASN A 20 6.235 7.874 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.171 5.976 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.638 5.127 7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.486 8.453 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.806 8.186 7.749 1.00 0.00 H new ATOM 305 N LEU A 21 7.165 4.886 5.207 1.00 0.00 N ATOM 306 CA LEU A 21 8.380 4.086 4.864 1.00 0.00 C ATOM 307 C LEU A 21 9.391 4.964 4.118 1.00 0.00 C ATOM 308 O LEU A 21 9.061 5.588 3.129 1.00 0.00 O ATOM 309 CB LEU A 21 7.983 2.903 3.974 1.00 0.00 C ATOM 310 CG LEU A 21 6.968 3.357 2.920 1.00 0.00 C ATOM 311 CD1 LEU A 21 7.683 3.588 1.589 1.00 0.00 C ATOM 312 CD2 LEU A 21 5.902 2.272 2.742 1.00 0.00 C ATOM 0 H LEU A 21 6.282 4.383 5.121 1.00 0.00 H new ATOM 0 HA LEU A 21 8.833 3.717 5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.867 2.492 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.555 2.107 4.583 1.00 0.00 H new ATOM 0 HG LEU A 21 6.496 4.284 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.961 3.911 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.445 4.357 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.154 2.661 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.178 2.592 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.376 1.346 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.392 2.104 3.690 1.00 0.00 H new ATOM 324 N PRO A 22 10.595 4.985 4.627 1.00 0.00 N ATOM 325 CA PRO A 22 11.633 5.813 3.976 1.00 0.00 C ATOM 326 C PRO A 22 12.635 4.930 3.223 1.00 0.00 C ATOM 327 O PRO A 22 13.804 4.883 3.551 1.00 0.00 O ATOM 328 CB PRO A 22 12.323 6.539 5.130 1.00 0.00 C ATOM 329 CG PRO A 22 12.062 5.693 6.390 1.00 0.00 C ATOM 330 CD PRO A 22 10.850 4.800 6.076 1.00 0.00 C ATOM 0 HA PRO A 22 11.213 6.501 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.392 6.639 4.943 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.925 7.547 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.934 5.089 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.861 6.331 7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.059 3.756 6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.983 5.091 6.669 1.00 0.00 H new ATOM 338 N ARG A 23 12.189 4.237 2.212 1.00 0.00 N ATOM 339 CA ARG A 23 13.118 3.367 1.434 1.00 0.00 C ATOM 340 C ARG A 23 13.874 2.433 2.382 1.00 0.00 C ATOM 341 O ARG A 23 15.078 2.520 2.522 1.00 0.00 O ATOM 342 CB ARG A 23 14.122 4.247 0.682 1.00 0.00 C ATOM 343 CG ARG A 23 13.657 4.436 -0.764 1.00 0.00 C ATOM 344 CD ARG A 23 13.965 3.170 -1.569 1.00 0.00 C ATOM 345 NE ARG A 23 14.334 3.543 -2.965 1.00 0.00 N ATOM 346 CZ ARG A 23 15.507 4.057 -3.216 1.00 0.00 C ATOM 347 NH1 ARG A 23 16.582 3.329 -3.081 1.00 0.00 N ATOM 348 NH2 ARG A 23 15.607 5.298 -3.607 1.00 0.00 N ATOM 0 H ARG A 23 11.221 4.235 1.890 1.00 0.00 H new ATOM 0 HA ARG A 23 12.544 2.770 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.213 5.215 1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 23 15.110 3.786 0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.587 4.644 -0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.160 5.294 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.781 2.619 -1.101 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.097 2.511 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 23 13.669 3.396 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.506 2.358 -2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.498 3.731 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.768 5.867 -3.717 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.524 5.699 -3.803 1.00 0.00 H new ATOM 362 N THR A 24 13.182 1.540 3.035 1.00 0.00 N ATOM 363 CA THR A 24 13.873 0.607 3.971 1.00 0.00 C ATOM 364 C THR A 24 13.570 -0.844 3.582 1.00 0.00 C ATOM 365 O THR A 24 14.330 -1.745 3.880 1.00 0.00 O ATOM 366 CB THR A 24 13.385 0.864 5.398 1.00 0.00 C ATOM 367 OG1 THR A 24 13.454 2.259 5.675 1.00 0.00 O ATOM 368 CG2 THR A 24 14.266 0.090 6.383 1.00 0.00 C ATOM 0 H THR A 24 12.172 1.416 2.962 1.00 0.00 H new ATOM 0 HA THR A 24 14.948 0.775 3.915 1.00 0.00 H new ATOM 0 HB THR A 24 12.353 0.529 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.820 2.483 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.920 0.272 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.206 -0.976 6.164 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.299 0.423 6.286 1.00 0.00 H new ATOM 376 N ILE A 25 12.469 -1.082 2.923 1.00 0.00 N ATOM 377 CA ILE A 25 12.131 -2.480 2.524 1.00 0.00 C ATOM 378 C ILE A 25 12.229 -2.618 1.001 1.00 0.00 C ATOM 379 O ILE A 25 12.545 -1.675 0.303 1.00 0.00 O ATOM 380 CB ILE A 25 10.710 -2.823 2.983 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.866 -1.547 3.053 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.766 -3.469 4.369 1.00 0.00 C ATOM 383 CD1 ILE A 25 8.417 -1.910 3.376 1.00 0.00 C ATOM 0 H ILE A 25 11.791 -0.373 2.644 1.00 0.00 H new ATOM 0 HA ILE A 25 12.834 -3.167 2.995 1.00 0.00 H new ATOM 0 HB ILE A 25 10.260 -3.516 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.263 -0.877 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.915 -1.013 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.756 -3.714 4.697 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.363 -4.380 4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.219 -2.774 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.817 -1.002 3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.023 -2.563 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.376 -2.425 4.336 1.00 0.00 H new ATOM 395 N THR A 26 11.971 -3.791 0.481 1.00 0.00 N ATOM 396 CA THR A 26 12.060 -3.990 -0.996 1.00 0.00 C ATOM 397 C THR A 26 10.670 -4.297 -1.563 1.00 0.00 C ATOM 398 O THR A 26 9.813 -4.829 -0.883 1.00 0.00 O ATOM 399 CB THR A 26 13.000 -5.162 -1.301 1.00 0.00 C ATOM 400 OG1 THR A 26 12.249 -6.370 -1.342 1.00 0.00 O ATOM 401 CG2 THR A 26 14.074 -5.263 -0.215 1.00 0.00 C ATOM 0 H THR A 26 11.703 -4.618 1.015 1.00 0.00 H new ATOM 0 HA THR A 26 12.447 -3.080 -1.456 1.00 0.00 H new ATOM 0 HB THR A 26 13.481 -4.997 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.847 -7.121 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.739 -6.098 -0.437 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.650 -4.338 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.599 -5.425 0.753 1.00 0.00 H new ATOM 409 N ASP A 27 10.445 -3.975 -2.810 1.00 0.00 N ATOM 410 CA ASP A 27 9.116 -4.257 -3.422 1.00 0.00 C ATOM 411 C ASP A 27 8.890 -5.769 -3.441 1.00 0.00 C ATOM 412 O ASP A 27 7.955 -6.276 -2.853 1.00 0.00 O ATOM 413 CB ASP A 27 9.083 -3.719 -4.855 1.00 0.00 C ATOM 414 CG ASP A 27 9.863 -2.404 -4.926 1.00 0.00 C ATOM 415 OD1 ASP A 27 9.626 -1.551 -4.088 1.00 0.00 O ATOM 416 OD2 ASP A 27 10.683 -2.274 -5.819 1.00 0.00 O ATOM 0 H ASP A 27 11.123 -3.530 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 27 8.333 -3.771 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.517 -4.449 -5.539 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.052 -3.560 -5.171 1.00 0.00 H new ATOM 421 N ASP A 28 9.746 -6.495 -4.108 1.00 0.00 N ATOM 422 CA ASP A 28 9.588 -7.975 -4.159 1.00 0.00 C ATOM 423 C ASP A 28 9.231 -8.496 -2.765 1.00 0.00 C ATOM 424 O ASP A 28 8.610 -9.530 -2.620 1.00 0.00 O ATOM 425 CB ASP A 28 10.901 -8.612 -4.621 1.00 0.00 C ATOM 426 CG ASP A 28 10.647 -9.460 -5.870 1.00 0.00 C ATOM 427 OD1 ASP A 28 9.791 -9.084 -6.653 1.00 0.00 O ATOM 428 OD2 ASP A 28 11.313 -10.471 -6.022 1.00 0.00 O ATOM 0 H ASP A 28 10.548 -6.126 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 28 8.793 -8.233 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.636 -7.837 -4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.316 -9.232 -3.826 1.00 0.00 H new ATOM 433 N GLN A 29 9.622 -7.790 -1.737 1.00 0.00 N ATOM 434 CA GLN A 29 9.305 -8.251 -0.357 1.00 0.00 C ATOM 435 C GLN A 29 7.816 -8.061 -0.076 1.00 0.00 C ATOM 436 O GLN A 29 7.091 -9.011 0.140 1.00 0.00 O ATOM 437 CB GLN A 29 10.122 -7.449 0.660 1.00 0.00 C ATOM 438 CG GLN A 29 10.890 -8.411 1.568 1.00 0.00 C ATOM 439 CD GLN A 29 12.127 -7.705 2.129 1.00 0.00 C ATOM 440 OE1 GLN A 29 12.212 -6.494 2.105 1.00 0.00 O ATOM 441 NE2 GLN A 29 13.095 -8.417 2.640 1.00 0.00 N ATOM 0 H GLN A 29 10.146 -6.917 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 29 9.557 -9.308 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.817 -6.787 0.143 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.463 -6.818 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.250 -8.748 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.187 -9.298 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.024 -9.434 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.922 -7.956 3.019 1.00 0.00 H new ATOM 450 N LEU A 30 7.352 -6.843 -0.079 1.00 0.00 N ATOM 451 CA LEU A 30 5.907 -6.603 0.188 1.00 0.00 C ATOM 452 C LEU A 30 5.074 -7.591 -0.634 1.00 0.00 C ATOM 453 O LEU A 30 3.958 -7.919 -0.282 1.00 0.00 O ATOM 454 CB LEU A 30 5.549 -5.166 -0.200 1.00 0.00 C ATOM 455 CG LEU A 30 5.256 -4.352 1.062 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.530 -3.637 1.517 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.173 -3.315 0.758 1.00 0.00 C ATOM 0 H LEU A 30 7.908 -6.006 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 30 5.696 -6.748 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.371 -4.713 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.680 -5.162 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 30 4.912 -5.019 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.321 -3.057 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.304 -4.374 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.875 -2.970 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.963 -2.734 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.519 -2.649 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.264 -3.822 0.433 1.00 0.00 H new ATOM 469 N ASP A 31 5.609 -8.080 -1.721 1.00 0.00 N ATOM 470 CA ASP A 31 4.848 -9.056 -2.551 1.00 0.00 C ATOM 471 C ASP A 31 4.629 -10.338 -1.743 1.00 0.00 C ATOM 472 O ASP A 31 3.512 -10.752 -1.501 1.00 0.00 O ATOM 473 CB ASP A 31 5.645 -9.383 -3.818 1.00 0.00 C ATOM 474 CG ASP A 31 4.686 -9.591 -4.991 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.926 -10.545 -4.947 1.00 0.00 O ATOM 476 OD2 ASP A 31 4.728 -8.795 -5.916 1.00 0.00 O ATOM 0 H ASP A 31 6.539 -7.846 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 31 3.886 -8.627 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.339 -8.573 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.243 -10.281 -3.661 1.00 0.00 H new ATOM 481 N THR A 32 5.690 -10.969 -1.318 1.00 0.00 N ATOM 482 CA THR A 32 5.542 -12.220 -0.524 1.00 0.00 C ATOM 483 C THR A 32 4.845 -11.903 0.800 1.00 0.00 C ATOM 484 O THR A 32 4.416 -12.787 1.516 1.00 0.00 O ATOM 485 CB THR A 32 6.924 -12.815 -0.244 1.00 0.00 C ATOM 486 OG1 THR A 32 7.552 -13.152 -1.473 1.00 0.00 O ATOM 487 CG2 THR A 32 6.775 -14.069 0.617 1.00 0.00 C ATOM 0 H THR A 32 6.651 -10.672 -1.486 1.00 0.00 H new ATOM 0 HA THR A 32 4.946 -12.939 -1.086 1.00 0.00 H new ATOM 0 HB THR A 32 7.534 -12.084 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.438 -13.531 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.759 -14.493 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.295 -13.808 1.560 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.165 -14.802 0.090 1.00 0.00 H new ATOM 495 N ILE A 33 4.728 -10.646 1.135 1.00 0.00 N ATOM 496 CA ILE A 33 4.057 -10.279 2.415 1.00 0.00 C ATOM 497 C ILE A 33 2.540 -10.387 2.248 1.00 0.00 C ATOM 498 O ILE A 33 1.852 -10.927 3.092 1.00 0.00 O ATOM 499 CB ILE A 33 4.430 -8.841 2.796 1.00 0.00 C ATOM 500 CG1 ILE A 33 5.855 -8.815 3.351 1.00 0.00 C ATOM 501 CG2 ILE A 33 3.467 -8.323 3.867 1.00 0.00 C ATOM 502 CD1 ILE A 33 5.889 -9.535 4.700 1.00 0.00 C ATOM 0 H ILE A 33 5.067 -9.860 0.580 1.00 0.00 H new ATOM 0 HA ILE A 33 4.384 -10.959 3.202 1.00 0.00 H new ATOM 0 HB ILE A 33 4.366 -8.208 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.538 -9.297 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.193 -7.785 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.736 -7.301 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.448 -8.341 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.530 -8.958 4.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.904 -9.517 5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.218 -9.033 5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.569 -10.569 4.569 1.00 0.00 H new ATOM 514 N PHE A 34 2.008 -9.869 1.173 1.00 0.00 N ATOM 515 CA PHE A 34 0.534 -9.940 0.974 1.00 0.00 C ATOM 516 C PHE A 34 0.211 -10.183 -0.503 1.00 0.00 C ATOM 517 O PHE A 34 -0.601 -9.496 -1.090 1.00 0.00 O ATOM 518 CB PHE A 34 -0.097 -8.623 1.440 1.00 0.00 C ATOM 519 CG PHE A 34 0.255 -7.506 0.486 1.00 0.00 C ATOM 520 CD1 PHE A 34 1.576 -7.056 0.393 1.00 0.00 C ATOM 521 CD2 PHE A 34 -0.743 -6.906 -0.291 1.00 0.00 C ATOM 522 CE1 PHE A 34 1.899 -6.008 -0.478 1.00 0.00 C ATOM 523 CE2 PHE A 34 -0.421 -5.856 -1.161 1.00 0.00 C ATOM 524 CZ PHE A 34 0.901 -5.409 -1.255 1.00 0.00 C ATOM 0 H PHE A 34 2.528 -9.403 0.429 1.00 0.00 H new ATOM 0 HA PHE A 34 0.128 -10.767 1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.180 -8.732 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.254 -8.378 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.347 -7.517 0.993 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.763 -7.253 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.919 -5.662 -0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.192 -5.393 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.152 -4.602 -1.927 1.00 0.00 H new ATOM 534 N GLY A 35 0.839 -11.155 -1.110 1.00 0.00 N ATOM 535 CA GLY A 35 0.562 -11.438 -2.548 1.00 0.00 C ATOM 536 C GLY A 35 -0.289 -12.707 -2.678 1.00 0.00 C ATOM 537 O GLY A 35 -0.118 -13.485 -3.595 1.00 0.00 O ATOM 0 H GLY A 35 1.531 -11.764 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.042 -10.593 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.500 -11.562 -3.090 1.00 0.00 H new ATOM 541 N LYS A 36 -1.207 -12.921 -1.771 1.00 0.00 N ATOM 542 CA LYS A 36 -2.070 -14.139 -1.849 1.00 0.00 C ATOM 543 C LYS A 36 -3.428 -13.759 -2.446 1.00 0.00 C ATOM 544 O LYS A 36 -3.947 -14.427 -3.318 1.00 0.00 O ATOM 545 CB LYS A 36 -2.275 -14.713 -0.444 1.00 0.00 C ATOM 546 CG LYS A 36 -1.237 -15.805 -0.177 1.00 0.00 C ATOM 547 CD LYS A 36 -1.777 -16.779 0.872 1.00 0.00 C ATOM 548 CE LYS A 36 -1.403 -18.210 0.483 1.00 0.00 C ATOM 549 NZ LYS A 36 -2.196 -18.625 -0.708 1.00 0.00 N ATOM 0 H LYS A 36 -1.397 -12.306 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.588 -14.887 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.184 -13.921 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.281 -15.123 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.009 -16.338 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.306 -15.359 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.366 -16.538 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.860 -16.683 0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.337 -18.271 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.596 -18.887 1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.281 -19.661 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.144 -18.201 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.717 -18.303 -1.573 1.00 0.00 H new ATOM 563 N TYR A 37 -3.996 -12.674 -1.991 1.00 0.00 N ATOM 564 CA TYR A 37 -5.315 -12.229 -2.543 1.00 0.00 C ATOM 565 C TYR A 37 -5.046 -11.529 -3.876 1.00 0.00 C ATOM 566 O TYR A 37 -4.839 -12.172 -4.887 1.00 0.00 O ATOM 567 CB TYR A 37 -6.035 -11.268 -1.564 1.00 0.00 C ATOM 568 CG TYR A 37 -5.116 -10.833 -0.444 1.00 0.00 C ATOM 569 CD1 TYR A 37 -4.012 -10.012 -0.714 1.00 0.00 C ATOM 570 CD2 TYR A 37 -5.370 -11.251 0.868 1.00 0.00 C ATOM 571 CE1 TYR A 37 -3.169 -9.609 0.325 1.00 0.00 C ATOM 572 CE2 TYR A 37 -4.527 -10.846 1.907 1.00 0.00 C ATOM 573 CZ TYR A 37 -3.426 -10.028 1.637 1.00 0.00 C ATOM 574 OH TYR A 37 -2.597 -9.631 2.667 1.00 0.00 O ATOM 0 H TYR A 37 -3.607 -12.076 -1.262 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.968 -13.090 -2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.390 -10.392 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.912 -11.762 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.813 -9.691 -1.726 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.218 -11.887 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.320 -8.975 0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.727 -11.165 2.919 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.920 -10.010 3.511 1.00 0.00 H new ATOM 584 N GLY A 38 -4.981 -10.227 -3.887 1.00 0.00 N ATOM 585 CA GLY A 38 -4.650 -9.520 -5.157 1.00 0.00 C ATOM 586 C GLY A 38 -3.134 -9.556 -5.264 1.00 0.00 C ATOM 587 O GLY A 38 -2.445 -9.268 -4.309 1.00 0.00 O ATOM 0 H GLY A 38 -5.141 -9.625 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.115 -10.012 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.017 -8.494 -5.141 1.00 0.00 H new ATOM 591 N SER A 39 -2.597 -9.928 -6.386 1.00 0.00 N ATOM 592 CA SER A 39 -1.114 -9.990 -6.494 1.00 0.00 C ATOM 593 C SER A 39 -0.585 -8.575 -6.704 1.00 0.00 C ATOM 594 O SER A 39 -0.215 -8.222 -7.799 1.00 0.00 O ATOM 595 CB SER A 39 -0.724 -10.871 -7.682 1.00 0.00 C ATOM 596 OG SER A 39 -1.360 -10.385 -8.857 1.00 0.00 O ATOM 0 H SER A 39 -3.112 -10.190 -7.227 1.00 0.00 H new ATOM 0 HA SER A 39 -0.688 -10.415 -5.585 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.358 -10.867 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.019 -11.904 -7.496 1.00 0.00 H new ATOM 0 HG SER A 39 -1.149 -9.435 -8.974 1.00 0.00 H new ATOM 602 N ILE A 40 -0.570 -7.779 -5.649 1.00 0.00 N ATOM 603 CA ILE A 40 -0.097 -6.355 -5.715 1.00 0.00 C ATOM 604 C ILE A 40 -0.216 -5.822 -7.142 1.00 0.00 C ATOM 605 O ILE A 40 0.501 -6.197 -8.048 1.00 0.00 O ATOM 606 CB ILE A 40 1.344 -6.232 -5.195 1.00 0.00 C ATOM 607 CG1 ILE A 40 1.780 -7.542 -4.525 1.00 0.00 C ATOM 608 CG2 ILE A 40 1.413 -5.101 -4.171 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.924 -7.791 -3.281 1.00 0.00 C ATOM 0 H ILE A 40 -0.876 -8.071 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.733 -5.748 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 40 2.008 -6.021 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.675 -8.372 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.833 -7.489 -4.250 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.433 -5.009 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.113 -4.165 -4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.742 -5.321 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.235 -8.722 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.052 -6.966 -2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.125 -7.863 -3.569 1.00 0.00 H new ATOM 621 N VAL A 41 -1.148 -4.949 -7.325 1.00 0.00 N ATOM 622 CA VAL A 41 -1.425 -4.367 -8.664 1.00 0.00 C ATOM 623 C VAL A 41 -0.348 -3.333 -9.019 1.00 0.00 C ATOM 624 O VAL A 41 -0.316 -2.824 -10.120 1.00 0.00 O ATOM 625 CB VAL A 41 -2.814 -3.713 -8.586 1.00 0.00 C ATOM 626 CG1 VAL A 41 -3.401 -3.469 -9.962 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.779 -4.634 -7.824 1.00 0.00 C ATOM 0 H VAL A 41 -1.753 -4.599 -6.582 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.408 -5.131 -9.442 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.690 -2.758 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.383 -3.006 -9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.743 -2.808 -10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.500 -4.418 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.762 -4.167 -7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.858 -5.588 -8.345 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.402 -4.801 -6.815 1.00 0.00 H new ATOM 637 N GLN A 42 0.558 -3.057 -8.107 1.00 0.00 N ATOM 638 CA GLN A 42 1.665 -2.087 -8.397 1.00 0.00 C ATOM 639 C GLN A 42 2.427 -1.760 -7.109 1.00 0.00 C ATOM 640 O GLN A 42 2.008 -0.939 -6.319 1.00 0.00 O ATOM 641 CB GLN A 42 1.110 -0.785 -8.985 1.00 0.00 C ATOM 642 CG GLN A 42 2.138 -0.178 -9.945 1.00 0.00 C ATOM 643 CD GLN A 42 2.474 -1.187 -11.045 1.00 0.00 C ATOM 644 OE1 GLN A 42 3.462 -1.888 -10.960 1.00 0.00 O ATOM 645 NE2 GLN A 42 1.692 -1.287 -12.085 1.00 0.00 N ATOM 0 H GLN A 42 0.578 -3.463 -7.172 1.00 0.00 H new ATOM 0 HA GLN A 42 2.336 -2.550 -9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.176 -0.981 -9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.883 -0.080 -8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.742 0.737 -10.386 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.042 0.095 -9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.862 -0.699 -12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.911 -1.953 -12.825 1.00 0.00 H new ATOM 654 N LYS A 43 3.555 -2.383 -6.901 1.00 0.00 N ATOM 655 CA LYS A 43 4.358 -2.094 -5.677 1.00 0.00 C ATOM 656 C LYS A 43 5.279 -0.908 -5.966 1.00 0.00 C ATOM 657 O LYS A 43 6.409 -1.078 -6.380 1.00 0.00 O ATOM 658 CB LYS A 43 5.208 -3.320 -5.325 1.00 0.00 C ATOM 659 CG LYS A 43 4.899 -3.771 -3.898 1.00 0.00 C ATOM 660 CD LYS A 43 5.709 -5.033 -3.577 1.00 0.00 C ATOM 661 CE LYS A 43 5.162 -6.206 -4.391 1.00 0.00 C ATOM 662 NZ LYS A 43 6.056 -6.456 -5.558 1.00 0.00 N ATOM 0 H LYS A 43 3.956 -3.081 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 43 3.696 -1.861 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.002 -4.130 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.267 -3.079 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.146 -2.978 -3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.833 -3.972 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.761 -4.873 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.650 -5.256 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.100 -7.098 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.151 -5.986 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.965 -7.447 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.786 -5.830 -6.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.042 -6.266 -5.287 1.00 0.00 H new ATOM 676 N ASN A 44 4.810 0.295 -5.771 1.00 0.00 N ATOM 677 CA ASN A 44 5.671 1.477 -6.060 1.00 0.00 C ATOM 678 C ASN A 44 6.284 2.024 -4.768 1.00 0.00 C ATOM 679 O ASN A 44 5.690 1.971 -3.711 1.00 0.00 O ATOM 680 CB ASN A 44 4.826 2.566 -6.724 1.00 0.00 C ATOM 681 CG ASN A 44 5.622 3.208 -7.861 1.00 0.00 C ATOM 682 OD1 ASN A 44 6.383 4.130 -7.641 1.00 0.00 O ATOM 683 ND2 ASN A 44 5.477 2.757 -9.077 1.00 0.00 N ATOM 0 H ASN A 44 3.874 0.509 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 44 6.477 1.172 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.901 2.138 -7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.546 3.322 -5.990 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.002 3.178 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.838 1.983 -9.261 1.00 0.00 H new ATOM 690 N ILE A 45 7.473 2.557 -4.850 1.00 0.00 N ATOM 691 CA ILE A 45 8.128 3.122 -3.638 1.00 0.00 C ATOM 692 C ILE A 45 9.253 4.065 -4.072 1.00 0.00 C ATOM 693 O ILE A 45 9.974 3.789 -5.010 1.00 0.00 O ATOM 694 CB ILE A 45 8.705 1.993 -2.782 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.168 2.567 -1.440 1.00 0.00 C ATOM 696 CG2 ILE A 45 9.894 1.359 -3.504 1.00 0.00 C ATOM 697 CD1 ILE A 45 9.568 1.426 -0.503 1.00 0.00 C ATOM 0 H ILE A 45 8.020 2.625 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 45 7.393 3.671 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 45 7.941 1.234 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.013 3.239 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.369 3.157 -0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.304 0.555 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.565 0.955 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.662 2.114 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.897 1.837 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.712 0.772 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.381 0.855 -0.952 1.00 0.00 H new ATOM 709 N LEU A 46 9.415 5.177 -3.403 1.00 0.00 N ATOM 710 CA LEU A 46 10.500 6.122 -3.796 1.00 0.00 C ATOM 711 C LEU A 46 10.800 7.087 -2.647 1.00 0.00 C ATOM 712 O LEU A 46 9.963 7.351 -1.805 1.00 0.00 O ATOM 713 CB LEU A 46 10.066 6.914 -5.032 1.00 0.00 C ATOM 714 CG LEU A 46 8.702 7.557 -4.782 1.00 0.00 C ATOM 715 CD1 LEU A 46 8.894 8.955 -4.193 1.00 0.00 C ATOM 716 CD2 LEU A 46 7.944 7.666 -6.108 1.00 0.00 C ATOM 0 H LEU A 46 8.847 5.469 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 46 11.401 5.553 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.804 7.683 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.014 6.254 -5.898 1.00 0.00 H new ATOM 0 HG LEU A 46 8.134 6.944 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.920 9.412 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.438 8.881 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.461 9.570 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.970 8.124 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.515 8.280 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.806 6.671 -6.531 1.00 0.00 H new ATOM 728 N ARG A 47 11.994 7.619 -2.611 1.00 0.00 N ATOM 729 CA ARG A 47 12.360 8.571 -1.524 1.00 0.00 C ATOM 730 C ARG A 47 13.495 9.480 -2.005 1.00 0.00 C ATOM 731 O ARG A 47 13.770 9.577 -3.184 1.00 0.00 O ATOM 732 CB ARG A 47 12.823 7.788 -0.295 1.00 0.00 C ATOM 733 CG ARG A 47 11.958 8.166 0.911 1.00 0.00 C ATOM 734 CD ARG A 47 12.581 9.364 1.631 1.00 0.00 C ATOM 735 NE ARG A 47 12.014 9.469 3.005 1.00 0.00 N ATOM 736 CZ ARG A 47 10.870 10.071 3.194 1.00 0.00 C ATOM 737 NH1 ARG A 47 10.669 11.264 2.703 1.00 0.00 N ATOM 738 NH2 ARG A 47 9.927 9.478 3.875 1.00 0.00 N ATOM 0 H ARG A 47 12.732 7.434 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 47 11.492 9.177 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.751 6.717 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.871 8.005 -0.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.947 8.410 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.877 7.320 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.664 9.249 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.383 10.280 1.074 1.00 0.00 H new ATOM 0 HE ARG A 47 12.519 9.071 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.406 11.727 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.775 11.733 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.084 8.546 4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.033 9.947 4.023 1.00 0.00 H new ATOM 752 N ASP A 48 14.155 10.149 -1.097 1.00 0.00 N ATOM 753 CA ASP A 48 15.271 11.052 -1.498 1.00 0.00 C ATOM 754 C ASP A 48 16.604 10.323 -1.317 1.00 0.00 C ATOM 755 O ASP A 48 16.655 9.216 -0.820 1.00 0.00 O ATOM 756 CB ASP A 48 15.253 12.305 -0.619 1.00 0.00 C ATOM 757 CG ASP A 48 15.453 11.905 0.843 1.00 0.00 C ATOM 758 OD1 ASP A 48 15.775 10.753 1.084 1.00 0.00 O ATOM 759 OD2 ASP A 48 15.281 12.758 1.699 1.00 0.00 O ATOM 0 H ASP A 48 13.969 10.109 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 48 15.151 11.338 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.040 12.992 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.306 12.831 -0.737 1.00 0.00 H new ATOM 764 N LYS A 49 17.685 10.937 -1.715 1.00 0.00 N ATOM 765 CA LYS A 49 19.013 10.277 -1.561 1.00 0.00 C ATOM 766 C LYS A 49 19.756 10.898 -0.379 1.00 0.00 C ATOM 767 O LYS A 49 20.109 10.224 0.570 1.00 0.00 O ATOM 768 CB LYS A 49 19.837 10.474 -2.836 1.00 0.00 C ATOM 769 CG LYS A 49 19.035 9.996 -4.047 1.00 0.00 C ATOM 770 CD LYS A 49 19.396 8.542 -4.356 1.00 0.00 C ATOM 771 CE LYS A 49 18.123 7.754 -4.669 1.00 0.00 C ATOM 772 NZ LYS A 49 18.219 7.175 -6.038 1.00 0.00 N ATOM 0 H LYS A 49 17.706 11.864 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 49 18.867 9.211 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 49 20.098 11.526 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 49 20.773 9.919 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 49 17.967 10.082 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.249 10.626 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 49 20.080 8.499 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 49 19.912 8.096 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.985 6.959 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.253 8.406 -4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.353 6.639 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.331 7.941 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.040 6.539 -6.089 1.00 0.00 H new ATOM 786 N LEU A 50 20.002 12.178 -0.428 1.00 0.00 N ATOM 787 CA LEU A 50 20.728 12.839 0.692 1.00 0.00 C ATOM 788 C LEU A 50 19.880 13.985 1.250 1.00 0.00 C ATOM 789 O LEU A 50 19.571 14.026 2.425 1.00 0.00 O ATOM 790 CB LEU A 50 22.058 13.390 0.176 1.00 0.00 C ATOM 791 CG LEU A 50 22.800 12.292 -0.590 1.00 0.00 C ATOM 792 CD1 LEU A 50 23.480 12.895 -1.819 1.00 0.00 C ATOM 793 CD2 LEU A 50 23.858 11.663 0.317 1.00 0.00 C ATOM 0 H LEU A 50 19.732 12.794 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 50 20.915 12.113 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 21.882 14.247 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.666 13.742 1.009 1.00 0.00 H new ATOM 0 HG LEU A 50 22.089 11.528 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.008 12.112 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.728 13.344 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.190 13.660 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.386 10.881 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.567 12.428 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.375 11.231 1.194 1.00 0.00 H new ATOM 805 N THR A 51 19.501 14.919 0.419 1.00 0.00 N ATOM 806 CA THR A 51 18.677 16.061 0.907 1.00 0.00 C ATOM 807 C THR A 51 17.607 16.405 -0.134 1.00 0.00 C ATOM 808 O THR A 51 17.798 16.219 -1.319 1.00 0.00 O ATOM 809 CB THR A 51 19.575 17.281 1.133 1.00 0.00 C ATOM 810 OG1 THR A 51 20.535 17.358 0.089 1.00 0.00 O ATOM 811 CG2 THR A 51 20.291 17.151 2.478 1.00 0.00 C ATOM 0 H THR A 51 19.726 14.940 -0.576 1.00 0.00 H new ATOM 0 HA THR A 51 18.196 15.783 1.845 1.00 0.00 H new ATOM 0 HB THR A 51 18.966 18.185 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 51 21.110 18.139 0.230 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.929 18.020 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.554 17.092 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.901 16.248 2.479 1.00 0.00 H new ATOM 819 N GLY A 52 16.482 16.907 0.303 1.00 0.00 N ATOM 820 CA GLY A 52 15.400 17.262 -0.659 1.00 0.00 C ATOM 821 C GLY A 52 14.090 16.608 -0.217 1.00 0.00 C ATOM 822 O GLY A 52 13.193 17.266 0.272 1.00 0.00 O ATOM 0 H GLY A 52 16.267 17.086 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.281 18.344 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 52 15.666 16.927 -1.662 1.00 0.00 H new ATOM 826 N ARG A 53 13.978 15.316 -0.382 1.00 0.00 N ATOM 827 CA ARG A 53 12.728 14.606 0.028 1.00 0.00 C ATOM 828 C ARG A 53 11.509 15.451 -0.346 1.00 0.00 C ATOM 829 O ARG A 53 10.995 16.195 0.466 1.00 0.00 O ATOM 830 CB ARG A 53 12.736 14.354 1.544 1.00 0.00 C ATOM 831 CG ARG A 53 13.685 15.335 2.242 1.00 0.00 C ATOM 832 CD ARG A 53 13.925 14.874 3.681 1.00 0.00 C ATOM 833 NE ARG A 53 13.175 15.755 4.618 1.00 0.00 N ATOM 834 CZ ARG A 53 11.877 15.838 4.535 1.00 0.00 C ATOM 835 NH1 ARG A 53 11.137 14.790 4.777 1.00 0.00 N ATOM 836 NH2 ARG A 53 11.316 16.968 4.207 1.00 0.00 N ATOM 0 H ARG A 53 14.701 14.719 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 53 12.679 13.649 -0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.728 14.466 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.047 13.329 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.631 15.389 1.703 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.258 16.338 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.602 13.840 3.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.990 14.904 3.911 1.00 0.00 H new ATOM 0 HE ARG A 53 13.677 16.293 5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.575 13.904 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.121 14.857 4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.893 17.787 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.300 17.033 4.142 1.00 0.00 H new ATOM 850 N PRO A 54 11.087 15.304 -1.573 1.00 0.00 N ATOM 851 CA PRO A 54 9.912 16.078 -2.032 1.00 0.00 C ATOM 852 C PRO A 54 8.623 15.288 -1.788 1.00 0.00 C ATOM 853 O PRO A 54 7.600 15.845 -1.443 1.00 0.00 O ATOM 854 CB PRO A 54 10.146 16.277 -3.530 1.00 0.00 C ATOM 855 CG PRO A 54 11.108 15.156 -3.969 1.00 0.00 C ATOM 856 CD PRO A 54 11.814 14.661 -2.695 1.00 0.00 C ATOM 0 HA PRO A 54 9.802 17.024 -1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.207 16.222 -4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.576 17.259 -3.730 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.563 14.344 -4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.832 15.528 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.774 13.574 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.867 14.942 -2.694 1.00 0.00 H new ATOM 864 N ARG A 55 8.662 13.997 -1.970 1.00 0.00 N ATOM 865 CA ARG A 55 7.436 13.177 -1.753 1.00 0.00 C ATOM 866 C ARG A 55 7.771 11.977 -0.864 1.00 0.00 C ATOM 867 O ARG A 55 7.223 11.815 0.208 1.00 0.00 O ATOM 868 CB ARG A 55 6.911 12.683 -3.104 1.00 0.00 C ATOM 869 CG ARG A 55 6.909 13.841 -4.106 1.00 0.00 C ATOM 870 CD ARG A 55 7.835 13.507 -5.278 1.00 0.00 C ATOM 871 NE ARG A 55 8.157 14.754 -6.027 1.00 0.00 N ATOM 872 CZ ARG A 55 8.981 14.712 -7.037 1.00 0.00 C ATOM 873 NH1 ARG A 55 9.864 13.755 -7.121 1.00 0.00 N ATOM 874 NH2 ARG A 55 8.921 15.624 -7.967 1.00 0.00 N ATOM 0 H ARG A 55 9.489 13.474 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 55 6.674 13.785 -1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.536 11.870 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.903 12.285 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.897 14.020 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.239 14.758 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.751 13.044 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.356 12.786 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 55 7.733 15.640 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.910 13.039 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.508 13.723 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.229 16.371 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.566 15.590 -8.757 1.00 0.00 H new ATOM 888 N GLY A 56 8.667 11.135 -1.300 1.00 0.00 N ATOM 889 CA GLY A 56 9.036 9.947 -0.477 1.00 0.00 C ATOM 890 C GLY A 56 7.772 9.190 -0.074 1.00 0.00 C ATOM 891 O GLY A 56 7.212 9.415 0.981 1.00 0.00 O ATOM 0 H GLY A 56 9.160 11.217 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.699 9.292 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.582 10.263 0.412 1.00 0.00 H new ATOM 895 N VAL A 57 7.314 8.297 -0.907 1.00 0.00 N ATOM 896 CA VAL A 57 6.081 7.527 -0.570 1.00 0.00 C ATOM 897 C VAL A 57 6.007 6.257 -1.423 1.00 0.00 C ATOM 898 O VAL A 57 6.708 6.109 -2.405 1.00 0.00 O ATOM 899 CB VAL A 57 4.839 8.388 -0.835 1.00 0.00 C ATOM 900 CG1 VAL A 57 4.352 8.991 0.482 1.00 0.00 C ATOM 901 CG2 VAL A 57 5.179 9.518 -1.813 1.00 0.00 C ATOM 0 H VAL A 57 7.738 8.066 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 57 6.116 7.253 0.485 1.00 0.00 H new ATOM 0 HB VAL A 57 4.059 7.763 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.469 9.604 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.099 8.190 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.140 9.610 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.290 10.123 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.963 10.144 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.526 9.092 -2.755 1.00 0.00 H new ATOM 911 N ALA A 58 5.147 5.350 -1.052 1.00 0.00 N ATOM 912 CA ALA A 58 4.991 4.084 -1.825 1.00 0.00 C ATOM 913 C ALA A 58 3.506 3.875 -2.120 1.00 0.00 C ATOM 914 O ALA A 58 2.653 4.299 -1.365 1.00 0.00 O ATOM 915 CB ALA A 58 5.513 2.906 -1.000 1.00 0.00 C ATOM 0 H ALA A 58 4.539 5.432 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 58 5.557 4.146 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.397 1.984 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.567 3.061 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.947 2.833 -0.071 1.00 0.00 H new ATOM 921 N PHE A 59 3.180 3.234 -3.207 1.00 0.00 N ATOM 922 CA PHE A 59 1.745 3.019 -3.528 1.00 0.00 C ATOM 923 C PHE A 59 1.465 1.537 -3.775 1.00 0.00 C ATOM 924 O PHE A 59 1.710 1.027 -4.852 1.00 0.00 O ATOM 925 CB PHE A 59 1.384 3.790 -4.801 1.00 0.00 C ATOM 926 CG PHE A 59 1.553 5.275 -4.579 1.00 0.00 C ATOM 927 CD1 PHE A 59 2.806 5.873 -4.762 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.453 6.056 -4.204 1.00 0.00 C ATOM 929 CE1 PHE A 59 2.959 7.252 -4.569 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.607 7.435 -4.009 1.00 0.00 C ATOM 931 CZ PHE A 59 1.859 8.033 -4.192 1.00 0.00 C ATOM 0 H PHE A 59 3.842 2.852 -3.883 1.00 0.00 H new ATOM 0 HA PHE A 59 1.151 3.369 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.019 3.464 -5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.355 3.573 -5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.654 5.271 -5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.514 5.596 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.925 7.713 -4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.241 8.037 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.977 9.096 -4.043 1.00 0.00 H new ATOM 941 N VAL A 60 0.903 0.845 -2.818 1.00 0.00 N ATOM 942 CA VAL A 60 0.564 -0.579 -3.071 1.00 0.00 C ATOM 943 C VAL A 60 -0.765 -0.564 -3.818 1.00 0.00 C ATOM 944 O VAL A 60 -1.800 -0.258 -3.267 1.00 0.00 O ATOM 945 CB VAL A 60 0.441 -1.378 -1.751 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.166 -0.515 -0.645 1.00 0.00 C ATOM 947 CG2 VAL A 60 -0.451 -2.614 -1.962 1.00 0.00 C ATOM 0 H VAL A 60 0.669 1.199 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 60 1.348 -1.069 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 60 1.443 -1.688 -1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.242 -1.099 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.470 0.353 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.159 -0.183 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.531 -3.169 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.444 -2.296 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.011 -3.254 -2.727 1.00 0.00 H new ATOM 957 N ARG A 61 -0.761 -0.851 -5.077 1.00 0.00 N ATOM 958 CA ARG A 61 -2.041 -0.799 -5.810 1.00 0.00 C ATOM 959 C ARG A 61 -2.848 -2.048 -5.470 1.00 0.00 C ATOM 960 O ARG A 61 -2.791 -3.040 -6.139 1.00 0.00 O ATOM 961 CB ARG A 61 -1.776 -0.729 -7.313 1.00 0.00 C ATOM 962 CG ARG A 61 -1.355 0.698 -7.678 1.00 0.00 C ATOM 963 CD ARG A 61 -1.425 0.910 -9.194 1.00 0.00 C ATOM 964 NE ARG A 61 -2.264 -0.146 -9.829 1.00 0.00 N ATOM 965 CZ ARG A 61 -3.183 0.185 -10.695 1.00 0.00 C ATOM 966 NH1 ARG A 61 -3.892 1.266 -10.513 1.00 0.00 N ATOM 967 NH2 ARG A 61 -3.389 -0.563 -11.743 1.00 0.00 N ATOM 0 H ARG A 61 0.058 -1.115 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.603 0.089 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.994 -1.435 -7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.671 -1.011 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.004 1.414 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.341 0.885 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.842 1.894 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.421 0.889 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.120 -1.126 -9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.728 1.852 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.610 1.525 -11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.832 -1.406 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.107 -0.305 -12.420 1.00 0.00 H new ATOM 981 N TYR A 62 -3.609 -2.004 -4.419 1.00 0.00 N ATOM 982 CA TYR A 62 -4.426 -3.191 -4.056 1.00 0.00 C ATOM 983 C TYR A 62 -5.810 -2.983 -4.667 1.00 0.00 C ATOM 984 O TYR A 62 -6.512 -2.064 -4.301 1.00 0.00 O ATOM 985 CB TYR A 62 -4.549 -3.281 -2.538 1.00 0.00 C ATOM 986 CG TYR A 62 -4.944 -4.680 -2.163 1.00 0.00 C ATOM 987 CD1 TYR A 62 -6.146 -5.216 -2.634 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.104 -5.445 -1.349 1.00 0.00 C ATOM 989 CE1 TYR A 62 -6.510 -6.517 -2.288 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.468 -6.748 -1.003 1.00 0.00 C ATOM 991 CZ TYR A 62 -5.672 -7.283 -1.474 1.00 0.00 C ATOM 992 OH TYR A 62 -6.031 -8.567 -1.138 1.00 0.00 O ATOM 0 H TYR A 62 -3.702 -1.201 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.968 -4.109 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.602 -3.018 -2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.293 -2.570 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.792 -4.623 -3.265 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.175 -5.029 -0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -7.439 -6.932 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.822 -7.341 -0.373 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.269 -9.021 -0.721 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.216 -3.784 -5.611 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.542 -3.519 -6.221 1.00 0.00 C ATOM 1004 C ASN A 63 -8.682 -3.856 -5.241 1.00 0.00 C ATOM 1005 O ASN A 63 -8.901 -3.144 -4.288 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.724 -4.313 -7.493 1.00 0.00 C ATOM 1007 CG ASN A 63 -6.558 -4.041 -8.416 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -5.958 -2.884 -8.347 1.00 0.00 O flip ATOM 1009 ND2 ASN A 63 -6.189 -4.884 -9.207 1.00 0.00 N flip ATOM 0 H ASN A 63 -5.704 -4.587 -5.976 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.581 -2.456 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.784 -5.378 -7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.660 -4.037 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.666 -5.785 -9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.402 -4.692 -9.827 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.401 -4.936 -5.511 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.569 -5.401 -4.677 1.00 0.00 C ATOM 1018 C LYS A 64 -10.970 -4.415 -3.579 1.00 0.00 C ATOM 1019 O LYS A 64 -10.177 -4.011 -2.765 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.225 -6.741 -4.038 1.00 0.00 C ATOM 1021 CG LYS A 64 -10.749 -7.880 -4.916 1.00 0.00 C ATOM 1022 CD LYS A 64 -12.215 -8.160 -4.576 1.00 0.00 C ATOM 1023 CE LYS A 64 -13.098 -7.802 -5.775 1.00 0.00 C ATOM 1024 NZ LYS A 64 -13.718 -9.040 -6.324 1.00 0.00 N ATOM 0 H LYS A 64 -9.213 -5.538 -6.313 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.421 -5.486 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.146 -6.830 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.665 -6.804 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.654 -7.614 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.151 -8.778 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.344 -9.211 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.514 -7.578 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.873 -7.098 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.503 -7.309 -6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.318 -8.796 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.971 -9.697 -6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.299 -9.492 -5.590 1.00 0.00 H new ATOM 1038 N ARG A 65 -12.223 -4.059 -3.528 1.00 0.00 N ATOM 1039 CA ARG A 65 -12.688 -3.131 -2.462 1.00 0.00 C ATOM 1040 C ARG A 65 -12.471 -3.788 -1.099 1.00 0.00 C ATOM 1041 O ARG A 65 -11.735 -3.296 -0.266 1.00 0.00 O ATOM 1042 CB ARG A 65 -14.183 -2.849 -2.649 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.375 -1.572 -3.466 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.560 -1.933 -4.941 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.584 -1.034 -5.544 1.00 0.00 N ATOM 1046 CZ ARG A 65 -16.769 -1.495 -5.828 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -17.656 -1.637 -4.881 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -17.068 -1.816 -7.056 1.00 0.00 N ATOM 0 H ARG A 65 -12.944 -4.371 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.129 -2.197 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.660 -3.689 -3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.666 -2.745 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -15.244 -1.023 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.511 -0.918 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.614 -1.834 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -14.871 -2.973 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.357 -0.058 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -17.421 -1.387 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -18.584 -1.998 -5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -16.374 -1.706 -7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.996 -2.177 -7.277 1.00 0.00 H new ATOM 1062 N GLU A 66 -13.111 -4.898 -0.868 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.953 -5.594 0.437 1.00 0.00 C ATOM 1064 C GLU A 66 -11.481 -5.953 0.653 1.00 0.00 C ATOM 1065 O GLU A 66 -10.895 -5.632 1.671 1.00 0.00 O ATOM 1066 CB GLU A 66 -13.794 -6.873 0.432 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.269 -7.181 1.854 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.789 -7.022 1.933 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -16.305 -6.129 1.282 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.410 -7.794 2.645 1.00 0.00 O ATOM 0 H GLU A 66 -13.739 -5.355 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.286 -4.939 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.651 -6.754 -0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.206 -7.706 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.984 -8.196 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.786 -6.509 2.563 1.00 0.00 H new ATOM 1077 N GLU A 67 -10.875 -6.620 -0.289 1.00 0.00 N ATOM 1078 CA GLU A 67 -9.450 -6.997 -0.113 1.00 0.00 C ATOM 1079 C GLU A 67 -8.573 -5.738 -0.115 1.00 0.00 C ATOM 1080 O GLU A 67 -7.411 -5.779 0.244 1.00 0.00 O ATOM 1081 CB GLU A 67 -9.024 -7.948 -1.225 1.00 0.00 C ATOM 1082 CG GLU A 67 -9.885 -9.211 -1.166 1.00 0.00 C ATOM 1083 CD GLU A 67 -9.369 -10.232 -2.181 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -8.833 -9.814 -3.193 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -9.518 -11.416 -1.928 1.00 0.00 O ATOM 0 H GLU A 67 -11.303 -6.917 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.327 -7.504 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.134 -7.464 -2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.971 -8.206 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.858 -9.635 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.925 -8.965 -1.380 1.00 0.00 H new ATOM 1092 N ALA A 68 -9.116 -4.603 -0.475 1.00 0.00 N ATOM 1093 CA ALA A 68 -8.290 -3.369 -0.427 1.00 0.00 C ATOM 1094 C ALA A 68 -8.193 -3.014 1.053 1.00 0.00 C ATOM 1095 O ALA A 68 -7.154 -2.635 1.555 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.940 -2.232 -1.239 1.00 0.00 C ATOM 0 H ALA A 68 -10.077 -4.482 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.305 -3.520 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.313 -1.342 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.043 -2.541 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.924 -2.008 -0.828 1.00 0.00 H new ATOM 1102 N GLN A 69 -9.271 -3.217 1.769 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.257 -2.983 3.235 1.00 0.00 C ATOM 1104 C GLN A 69 -8.384 -4.078 3.850 1.00 0.00 C ATOM 1105 O GLN A 69 -7.866 -3.951 4.942 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.680 -3.078 3.794 1.00 0.00 C ATOM 1107 CG GLN A 69 -11.001 -1.812 4.591 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.407 -1.326 4.232 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -13.334 -2.108 4.163 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -12.606 -0.056 4.002 1.00 0.00 N ATOM 0 H GLN A 69 -10.163 -3.537 1.393 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.868 -1.992 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.395 -3.199 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.773 -3.956 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.937 -2.016 5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.269 -1.035 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.828 0.601 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.540 0.279 3.765 1.00 0.00 H new ATOM 1119 N GLU A 70 -8.204 -5.157 3.134 1.00 0.00 N ATOM 1120 CA GLU A 70 -7.342 -6.257 3.643 1.00 0.00 C ATOM 1121 C GLU A 70 -5.934 -5.719 3.798 1.00 0.00 C ATOM 1122 O GLU A 70 -5.465 -5.445 4.882 1.00 0.00 O ATOM 1123 CB GLU A 70 -7.285 -7.381 2.614 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.958 -8.636 3.176 1.00 0.00 C ATOM 1125 CD GLU A 70 -8.236 -9.618 2.037 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -7.402 -9.721 1.155 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.280 -10.248 2.065 1.00 0.00 O ATOM 0 H GLU A 70 -8.619 -5.321 2.217 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.742 -6.626 4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.783 -7.071 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.248 -7.598 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.316 -9.102 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.889 -8.369 3.676 1.00 0.00 H new ATOM 1134 N ALA A 71 -5.265 -5.564 2.697 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.883 -5.042 2.733 1.00 0.00 C ATOM 1136 C ALA A 71 -3.864 -3.768 3.581 1.00 0.00 C ATOM 1137 O ALA A 71 -2.853 -3.395 4.133 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.426 -4.761 1.303 1.00 0.00 C ATOM 0 H ALA A 71 -5.622 -5.779 1.766 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.201 -5.767 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.407 -4.375 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.457 -5.683 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.087 -4.024 0.848 1.00 0.00 H new ATOM 1144 N ILE A 72 -4.982 -3.109 3.722 1.00 0.00 N ATOM 1145 CA ILE A 72 -4.997 -1.889 4.573 1.00 0.00 C ATOM 1146 C ILE A 72 -4.540 -2.294 5.982 1.00 0.00 C ATOM 1147 O ILE A 72 -3.637 -1.714 6.542 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.419 -1.306 4.619 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.706 -0.546 3.310 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.573 -0.374 5.828 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.219 0.902 3.401 1.00 0.00 C ATOM 0 H ILE A 72 -5.872 -3.359 3.291 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.330 -1.128 4.168 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.138 -2.119 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.213 -1.048 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.776 -0.562 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.584 0.032 5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.388 -0.934 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.856 0.443 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.433 1.417 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.732 1.408 4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.145 0.914 3.584 1.00 0.00 H new ATOM 1163 N SER A 73 -5.145 -3.306 6.550 1.00 0.00 N ATOM 1164 CA SER A 73 -4.732 -3.754 7.914 1.00 0.00 C ATOM 1165 C SER A 73 -3.569 -4.748 7.816 1.00 0.00 C ATOM 1166 O SER A 73 -2.504 -4.529 8.360 1.00 0.00 O ATOM 1167 CB SER A 73 -5.915 -4.438 8.603 1.00 0.00 C ATOM 1168 OG SER A 73 -5.492 -4.951 9.861 1.00 0.00 O ATOM 0 H SER A 73 -5.905 -3.840 6.129 1.00 0.00 H new ATOM 0 HA SER A 73 -4.414 -2.885 8.490 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.730 -3.728 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.298 -5.245 7.978 1.00 0.00 H new ATOM 0 HG SER A 73 -6.247 -5.389 10.306 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.773 -5.842 7.141 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.696 -6.870 7.014 1.00 0.00 C ATOM 1176 C ALA A 74 -1.394 -6.224 6.530 1.00 0.00 C ATOM 1177 O ALA A 74 -0.326 -6.511 7.034 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.133 -7.944 6.016 1.00 0.00 C ATOM 0 H ALA A 74 -4.646 -6.073 6.666 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.523 -7.321 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.348 -8.695 5.922 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.048 -8.418 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.314 -7.485 5.044 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.467 -5.360 5.555 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.225 -4.711 5.043 1.00 0.00 C ATOM 1186 C LEU A 75 0.178 -3.579 5.996 1.00 0.00 C ATOM 1187 O LEU A 75 1.345 -3.387 6.271 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.491 -4.155 3.632 1.00 0.00 C ATOM 1189 CG LEU A 75 0.764 -4.230 2.740 1.00 0.00 C ATOM 1190 CD1 LEU A 75 1.504 -5.557 2.938 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.336 -4.130 1.273 1.00 0.00 C ATOM 0 H LEU A 75 -2.330 -5.075 5.091 1.00 0.00 H new ATOM 0 HA LEU A 75 0.586 -5.437 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.301 -4.717 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.823 -3.119 3.706 1.00 0.00 H new ATOM 0 HG LEU A 75 1.429 -3.411 3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.385 -5.582 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.811 -5.650 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.843 -6.384 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.217 -4.182 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.336 -4.954 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.177 -3.183 1.108 1.00 0.00 H new ATOM 1203 N ASN A 76 -0.778 -2.842 6.517 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.439 -1.737 7.469 1.00 0.00 C ATOM 1205 C ASN A 76 0.668 -2.223 8.414 1.00 0.00 C ATOM 1206 O ASN A 76 0.490 -3.161 9.165 1.00 0.00 O ATOM 1207 CB ASN A 76 -1.694 -1.353 8.270 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.305 -0.660 9.577 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -1.021 -1.312 10.561 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -1.290 0.644 9.628 1.00 0.00 N ATOM 0 H ASN A 76 -1.773 -2.958 6.324 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.089 -0.861 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.324 -0.692 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.282 -2.245 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.039 1.118 10.496 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.529 1.190 8.800 1.00 0.00 H new ATOM 1217 N ASN A 77 1.813 -1.601 8.362 1.00 0.00 N ATOM 1218 CA ASN A 77 2.945 -2.032 9.234 1.00 0.00 C ATOM 1219 C ASN A 77 3.409 -3.420 8.783 1.00 0.00 C ATOM 1220 O ASN A 77 3.081 -4.420 9.390 1.00 0.00 O ATOM 1221 CB ASN A 77 2.503 -2.104 10.701 1.00 0.00 C ATOM 1222 CG ASN A 77 1.512 -0.979 11.029 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.463 0.090 10.279 1.00 0.00 O flip ATOM 1224 ND2 ASN A 77 0.777 -1.073 11.992 1.00 0.00 N flip ATOM 0 H ASN A 77 2.016 -0.810 7.751 1.00 0.00 H new ATOM 0 HA ASN A 77 3.755 -1.308 9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.040 -3.071 10.899 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.374 -2.028 11.352 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.811 -1.905 12.581 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.126 -0.320 12.212 1.00 0.00 H new ATOM 1231 N VAL A 78 4.163 -3.494 7.719 1.00 0.00 N ATOM 1232 CA VAL A 78 4.633 -4.824 7.233 1.00 0.00 C ATOM 1233 C VAL A 78 5.923 -5.215 7.960 1.00 0.00 C ATOM 1234 O VAL A 78 6.913 -5.559 7.347 1.00 0.00 O ATOM 1235 CB VAL A 78 4.891 -4.763 5.724 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.914 -3.669 5.417 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.433 -6.112 5.250 1.00 0.00 C ATOM 0 H VAL A 78 4.473 -2.694 7.167 1.00 0.00 H new ATOM 0 HA VAL A 78 3.865 -5.570 7.437 1.00 0.00 H new ATOM 0 HB VAL A 78 3.958 -4.538 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.094 -3.630 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.530 -2.707 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.848 -3.889 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.618 -6.073 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.365 -6.333 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.703 -6.893 5.464 1.00 0.00 H new ATOM 1247 N ILE A 79 5.912 -5.172 9.265 1.00 0.00 N ATOM 1248 CA ILE A 79 7.127 -5.544 10.048 1.00 0.00 C ATOM 1249 C ILE A 79 6.793 -5.487 11.536 1.00 0.00 C ATOM 1250 O ILE A 79 5.748 -4.998 11.919 1.00 0.00 O ATOM 1251 CB ILE A 79 8.272 -4.564 9.760 1.00 0.00 C ATOM 1252 CG1 ILE A 79 7.708 -3.177 9.431 1.00 0.00 C ATOM 1253 CG2 ILE A 79 9.103 -5.073 8.581 1.00 0.00 C ATOM 1254 CD1 ILE A 79 8.321 -2.144 10.378 1.00 0.00 C ATOM 0 H ILE A 79 5.108 -4.893 9.827 1.00 0.00 H new ATOM 0 HA ILE A 79 7.438 -6.549 9.763 1.00 0.00 H new ATOM 0 HB ILE A 79 8.905 -4.490 10.644 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.932 -2.917 8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.623 -3.180 9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.915 -4.374 8.380 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.518 -6.051 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.469 -5.157 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.922 -1.156 10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.074 -2.403 11.408 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.404 -2.136 10.255 1.00 0.00 H new ATOM 1266 N PRO A 80 7.699 -5.978 12.335 1.00 0.00 N ATOM 1267 CA PRO A 80 7.448 -5.942 13.790 1.00 0.00 C ATOM 1268 C PRO A 80 7.947 -4.616 14.366 1.00 0.00 C ATOM 1269 O PRO A 80 8.508 -4.567 15.443 1.00 0.00 O ATOM 1270 CB PRO A 80 8.256 -7.112 14.349 1.00 0.00 C ATOM 1271 CG PRO A 80 9.364 -7.400 13.317 1.00 0.00 C ATOM 1272 CD PRO A 80 8.891 -6.789 11.987 1.00 0.00 C ATOM 0 HA PRO A 80 6.390 -6.021 14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.684 -6.861 15.320 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.623 -7.987 14.496 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.311 -6.960 13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.529 -8.472 13.214 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.670 -6.172 11.538 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.642 -7.565 11.263 1.00 0.00 H new ATOM 1280 N GLU A 81 7.755 -3.538 13.653 1.00 0.00 N ATOM 1281 CA GLU A 81 8.227 -2.222 14.161 1.00 0.00 C ATOM 1282 C GLU A 81 9.662 -2.376 14.668 1.00 0.00 C ATOM 1283 O GLU A 81 9.917 -2.305 15.853 1.00 0.00 O ATOM 1284 CB GLU A 81 7.326 -1.762 15.312 1.00 0.00 C ATOM 1285 CG GLU A 81 5.906 -2.295 15.101 1.00 0.00 C ATOM 1286 CD GLU A 81 5.254 -1.566 13.924 1.00 0.00 C ATOM 1287 OE1 GLU A 81 5.507 -0.383 13.772 1.00 0.00 O ATOM 1288 OE2 GLU A 81 4.513 -2.205 13.195 1.00 0.00 O ATOM 0 H GLU A 81 7.293 -3.514 12.744 1.00 0.00 H new ATOM 0 HA GLU A 81 8.192 -1.482 13.361 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.722 -2.121 16.262 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.312 -0.673 15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.934 -3.367 14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.314 -2.150 16.005 1.00 0.00 H new ATOM 1295 N GLY A 82 10.601 -2.598 13.786 1.00 0.00 N ATOM 1296 CA GLY A 82 12.010 -2.770 14.242 1.00 0.00 C ATOM 1297 C GLY A 82 12.981 -2.160 13.230 1.00 0.00 C ATOM 1298 O GLY A 82 14.115 -2.581 13.119 1.00 0.00 O ATOM 0 H GLY A 82 10.455 -2.667 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.144 -2.296 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.229 -3.830 14.372 1.00 0.00 H new ATOM 1302 N GLY A 83 12.560 -1.166 12.495 1.00 0.00 N ATOM 1303 CA GLY A 83 13.485 -0.539 11.507 1.00 0.00 C ATOM 1304 C GLY A 83 12.834 -0.493 10.125 1.00 0.00 C ATOM 1305 O GLY A 83 12.799 0.536 9.478 1.00 0.00 O ATOM 0 H GLY A 83 11.624 -0.764 12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.742 0.470 11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.415 -1.105 11.460 1.00 0.00 H new ATOM 1309 N SER A 84 12.327 -1.599 9.663 1.00 0.00 N ATOM 1310 CA SER A 84 11.687 -1.627 8.318 1.00 0.00 C ATOM 1311 C SER A 84 10.657 -0.498 8.195 1.00 0.00 C ATOM 1312 O SER A 84 10.263 -0.130 7.107 1.00 0.00 O ATOM 1313 CB SER A 84 10.988 -2.969 8.125 1.00 0.00 C ATOM 1314 OG SER A 84 11.962 -4.001 8.079 1.00 0.00 O ATOM 0 H SER A 84 12.328 -2.490 10.160 1.00 0.00 H new ATOM 0 HA SER A 84 12.454 -1.491 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.289 -3.149 8.941 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.406 -2.960 7.203 1.00 0.00 H new ATOM 0 HG SER A 84 11.721 -4.647 7.383 1.00 0.00 H new ATOM 1320 N GLN A 85 10.210 0.043 9.297 1.00 0.00 N ATOM 1321 CA GLN A 85 9.200 1.140 9.236 1.00 0.00 C ATOM 1322 C GLN A 85 7.900 0.596 8.638 1.00 0.00 C ATOM 1323 O GLN A 85 7.921 -0.209 7.727 1.00 0.00 O ATOM 1324 CB GLN A 85 9.736 2.294 8.380 1.00 0.00 C ATOM 1325 CG GLN A 85 10.789 3.066 9.178 1.00 0.00 C ATOM 1326 CD GLN A 85 12.158 2.890 8.517 1.00 0.00 C ATOM 1327 OE1 GLN A 85 12.343 2.003 7.708 1.00 0.00 O ATOM 1328 NE2 GLN A 85 13.131 3.701 8.829 1.00 0.00 N ATOM 0 H GLN A 85 10.500 -0.227 10.237 1.00 0.00 H new ATOM 0 HA GLN A 85 9.004 1.514 10.241 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.172 1.907 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.921 2.958 8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.526 4.123 9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.820 2.704 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.976 4.446 9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.047 3.590 8.394 1.00 0.00 H new ATOM 1337 N PRO A 86 6.808 1.046 9.193 1.00 0.00 N ATOM 1338 CA PRO A 86 5.490 0.570 8.714 1.00 0.00 C ATOM 1339 C PRO A 86 5.015 1.368 7.495 1.00 0.00 C ATOM 1340 O PRO A 86 5.679 2.273 7.030 1.00 0.00 O ATOM 1341 CB PRO A 86 4.556 0.803 9.902 1.00 0.00 C ATOM 1342 CG PRO A 86 5.217 1.893 10.770 1.00 0.00 C ATOM 1343 CD PRO A 86 6.704 1.916 10.387 1.00 0.00 C ATOM 0 HA PRO A 86 5.522 -0.472 8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.570 1.121 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.416 -0.116 10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.756 2.864 10.591 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.093 1.672 11.830 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.039 2.930 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.327 1.545 11.201 1.00 0.00 H new ATOM 1351 N LEU A 87 3.856 1.038 6.983 1.00 0.00 N ATOM 1352 CA LEU A 87 3.316 1.771 5.801 1.00 0.00 C ATOM 1353 C LEU A 87 1.957 2.365 6.160 1.00 0.00 C ATOM 1354 O LEU A 87 1.043 1.659 6.536 1.00 0.00 O ATOM 1355 CB LEU A 87 3.124 0.835 4.586 1.00 0.00 C ATOM 1356 CG LEU A 87 3.294 -0.646 4.955 1.00 0.00 C ATOM 1357 CD1 LEU A 87 1.934 -1.338 4.872 1.00 0.00 C ATOM 1358 CD2 LEU A 87 4.251 -1.304 3.959 1.00 0.00 C ATOM 0 H LEU A 87 3.259 0.289 7.335 1.00 0.00 H new ATOM 0 HA LEU A 87 4.033 2.548 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.131 0.990 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.843 1.098 3.811 1.00 0.00 H new ATOM 0 HG LEU A 87 3.695 -0.733 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.045 -2.391 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.241 -0.863 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.545 -1.254 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.376 -2.356 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.841 -1.222 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.218 -0.803 3.999 1.00 0.00 H new ATOM 1370 N SER A 88 1.796 3.650 6.013 1.00 0.00 N ATOM 1371 CA SER A 88 0.475 4.257 6.317 1.00 0.00 C ATOM 1372 C SER A 88 -0.428 3.969 5.123 1.00 0.00 C ATOM 1373 O SER A 88 -0.366 4.634 4.106 1.00 0.00 O ATOM 1374 CB SER A 88 0.622 5.767 6.509 1.00 0.00 C ATOM 1375 OG SER A 88 -0.466 6.429 5.879 1.00 0.00 O ATOM 0 H SER A 88 2.516 4.300 5.698 1.00 0.00 H new ATOM 0 HA SER A 88 0.057 3.842 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.644 6.010 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.566 6.109 6.084 1.00 0.00 H new ATOM 0 HG SER A 88 -0.375 7.397 6.001 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.224 2.942 5.217 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.089 2.554 4.070 1.00 0.00 C ATOM 1383 C VAL A 89 -3.325 3.449 3.954 1.00 0.00 C ATOM 1384 O VAL A 89 -3.701 4.158 4.866 1.00 0.00 O ATOM 1385 CB VAL A 89 -2.540 1.112 4.264 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -1.319 0.216 4.479 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.454 1.029 5.486 1.00 0.00 C ATOM 0 H VAL A 89 -1.313 2.351 6.044 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.508 2.666 3.155 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.081 0.778 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.644 -0.815 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.666 0.277 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.776 0.547 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.779 -0.002 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.911 1.363 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.325 1.666 5.333 1.00 0.00 H new ATOM 1397 N ARG A 90 -3.949 3.398 2.807 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.169 4.207 2.534 1.00 0.00 C ATOM 1399 C ARG A 90 -5.527 4.022 1.050 1.00 0.00 C ATOM 1400 O ARG A 90 -5.517 2.918 0.541 1.00 0.00 O ATOM 1401 CB ARG A 90 -4.891 5.683 2.841 1.00 0.00 C ATOM 1402 CG ARG A 90 -3.707 6.169 2.000 1.00 0.00 C ATOM 1403 CD ARG A 90 -3.103 7.430 2.626 1.00 0.00 C ATOM 1404 NE ARG A 90 -3.096 7.303 4.109 1.00 0.00 N ATOM 1405 CZ ARG A 90 -3.402 8.331 4.851 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -2.985 9.522 4.518 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -4.127 8.168 5.924 1.00 0.00 N ATOM 0 H ARG A 90 -3.653 2.811 2.027 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.999 3.884 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.775 6.283 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.673 5.809 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.951 5.387 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.035 6.380 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.087 7.578 2.260 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.680 8.306 2.330 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.852 6.413 4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.420 9.648 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.224 10.327 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.454 7.237 6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.367 8.972 6.505 1.00 0.00 H new ATOM 1421 N LEU A 91 -5.824 5.079 0.343 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.157 4.941 -1.107 1.00 0.00 C ATOM 1423 C LEU A 91 -5.656 6.191 -1.834 1.00 0.00 C ATOM 1424 O LEU A 91 -6.064 7.295 -1.537 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.677 4.815 -1.282 1.00 0.00 C ATOM 1426 CG LEU A 91 -8.028 3.584 -2.138 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -7.250 3.614 -3.454 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.684 2.296 -1.382 1.00 0.00 C ATOM 0 H LEU A 91 -5.851 6.032 0.705 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.683 4.050 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.155 4.733 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.069 5.716 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.097 3.608 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.508 2.738 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.506 4.517 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.180 3.608 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.937 1.434 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.618 2.280 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.252 2.257 -0.453 1.00 0.00 H new ATOM 1440 N ALA A 92 -4.766 6.039 -2.776 1.00 0.00 N ATOM 1441 CA ALA A 92 -4.248 7.234 -3.499 1.00 0.00 C ATOM 1442 C ALA A 92 -3.964 6.873 -4.957 1.00 0.00 C ATOM 1443 O ALA A 92 -4.262 5.785 -5.410 1.00 0.00 O ATOM 1444 CB ALA A 92 -2.959 7.719 -2.830 1.00 0.00 C ATOM 0 H ALA A 92 -4.377 5.145 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.995 8.027 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.581 8.593 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.165 7.984 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.212 6.925 -2.860 1.00 0.00 H new ATOM 1450 N GLU A 93 -3.392 7.782 -5.697 1.00 0.00 N ATOM 1451 CA GLU A 93 -3.093 7.497 -7.127 1.00 0.00 C ATOM 1452 C GLU A 93 -2.259 8.642 -7.704 1.00 0.00 C ATOM 1453 O GLU A 93 -2.784 9.594 -8.244 1.00 0.00 O ATOM 1454 CB GLU A 93 -4.405 7.376 -7.902 1.00 0.00 C ATOM 1455 CG GLU A 93 -5.404 8.405 -7.370 1.00 0.00 C ATOM 1456 CD GLU A 93 -6.412 8.753 -8.466 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -5.981 9.006 -9.579 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -7.595 8.757 -8.175 1.00 0.00 O ATOM 0 H GLU A 93 -3.119 8.710 -5.373 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.536 6.564 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.229 7.539 -8.965 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.811 6.370 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.922 8.007 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.879 9.303 -7.046 1.00 0.00 H new ATOM 1465 N GLU A 94 -0.963 8.561 -7.587 1.00 0.00 N ATOM 1466 CA GLU A 94 -0.096 9.647 -8.121 1.00 0.00 C ATOM 1467 C GLU A 94 -0.547 10.023 -9.533 1.00 0.00 C ATOM 1468 O GLU A 94 -0.419 11.155 -9.954 1.00 0.00 O ATOM 1469 CB GLU A 94 1.353 9.163 -8.162 1.00 0.00 C ATOM 1470 CG GLU A 94 2.289 10.371 -8.179 1.00 0.00 C ATOM 1471 CD GLU A 94 3.718 9.903 -8.453 1.00 0.00 C ATOM 1472 OE1 GLU A 94 3.937 9.313 -9.498 1.00 0.00 O ATOM 1473 OE2 GLU A 94 4.570 10.143 -7.614 1.00 0.00 O ATOM 0 H GLU A 94 -0.466 7.788 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.173 10.521 -7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.564 8.537 -7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.518 8.548 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.973 11.079 -8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.243 10.894 -7.224 1.00 0.00 H new ATOM 1480 N HIS A 95 -1.073 9.083 -10.268 1.00 0.00 N ATOM 1481 CA HIS A 95 -1.532 9.390 -11.652 1.00 0.00 C ATOM 1482 C HIS A 95 -2.351 8.215 -12.192 1.00 0.00 C ATOM 1483 O HIS A 95 -2.965 7.479 -11.445 1.00 0.00 O ATOM 1484 CB HIS A 95 -0.317 9.632 -12.554 1.00 0.00 C ATOM 1485 CG HIS A 95 0.443 8.347 -12.739 1.00 0.00 C ATOM 1486 ND1 HIS A 95 0.462 7.670 -13.948 1.00 0.00 N ATOM 1487 CD2 HIS A 95 1.221 7.607 -11.884 1.00 0.00 C ATOM 1488 CE1 HIS A 95 1.229 6.576 -13.789 1.00 0.00 C ATOM 1489 NE2 HIS A 95 1.716 6.489 -12.548 1.00 0.00 N ATOM 0 H HIS A 95 -1.205 8.116 -9.971 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.153 10.286 -11.638 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.641 10.016 -13.521 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.331 10.388 -12.112 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.018 7.950 -14.803 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.419 7.855 -10.852 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.427 5.856 -14.569 1.00 0.00 H new ATOM 1497 N GLY A 96 -2.372 8.036 -13.485 1.00 0.00 N ATOM 1498 CA GLY A 96 -3.160 6.911 -14.070 1.00 0.00 C ATOM 1499 C GLY A 96 -2.370 5.607 -13.958 1.00 0.00 C ATOM 1500 O GLY A 96 -1.549 5.294 -14.797 1.00 0.00 O ATOM 0 H GLY A 96 -1.879 8.619 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.113 6.814 -13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.387 7.120 -15.115 1.00 0.00 H new ATOM 1504 N LYS A 97 -2.615 4.838 -12.931 1.00 0.00 N ATOM 1505 CA LYS A 97 -1.879 3.551 -12.775 1.00 0.00 C ATOM 1506 C LYS A 97 -2.603 2.453 -13.557 1.00 0.00 C ATOM 1507 O LYS A 97 -2.431 2.403 -14.763 1.00 0.00 O ATOM 1508 CB LYS A 97 -1.822 3.165 -11.295 1.00 0.00 C ATOM 1509 CG LYS A 97 -0.656 3.892 -10.624 1.00 0.00 C ATOM 1510 CD LYS A 97 0.517 2.926 -10.453 1.00 0.00 C ATOM 1511 CE LYS A 97 1.824 3.646 -10.791 1.00 0.00 C ATOM 1512 NZ LYS A 97 2.156 3.425 -12.227 1.00 0.00 N ATOM 1513 OXT LYS A 97 -3.316 1.682 -12.937 1.00 0.00 O ATOM 0 H LYS A 97 -3.291 5.045 -12.196 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.865 3.667 -13.158 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.759 3.427 -10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.699 2.087 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.351 4.747 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.966 4.280 -9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.549 2.553 -9.429 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.387 2.061 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.727 4.713 -10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.630 3.274 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.077 2.947 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.422 2.833 -12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.201 4.341 -12.718 1.00 0.00 H new TER 1527 LYS A 97