USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 965 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 43 TYR OH : rot 23:sc= 0.308 USER MOD Set 1.2: A 47 HIS : no HE2:sc= 0.114 K(o=0.21,f=-1.1) USER MOD Set 1.3: A 69 MET CE :methyl -179:sc= -0.207 (180deg=-0.212) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.956 (180deg=0.263!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HE2:sc= 0.16 K(o=0.16,f=-0.65) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.964 USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 0.136 (180deg=-0.39) USER MOD Single : A 20 GLN : amide:sc= -0.152 K(o=-0.15,f=-3.4!) USER MOD Single : A 21 ASN : amide:sc= 0.174 X(o=0.17,f=-0.11) USER MOD Single : A 23 ASN : amide:sc= -0.582 K(o=-0.58,f=-2.8) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0.671 (180deg=0.592) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.389 X(o=0.39,f=0) USER MOD Single : A 36 MET CE :methyl -140:sc= -2.62 (180deg=-3.29!) USER MOD Single : A 38 TYR OH : rot -111:sc= 0.293 USER MOD Single : A 40 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 41 LYS NZ :NH3+ -136:sc= 0.945 (180deg=-0.0264) USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 49 MET CE :methyl 171:sc= -1.32 (180deg=-1.55) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.54 (180deg=-0.599) USER MOD Single : A 53 THR OG1 : rot -90:sc= -1.88! USER MOD Single : A 55 THR OG1 : rot -26:sc= 0.0719 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -59:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -164:sc= -0.547 (180deg=-2.21) USER MOD Single : A 77 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.13) USER MOD Single : A 78 SER OG : rot -17:sc= 0.46 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -126:sc= 0.318 (180deg=-0.713) USER MOD Single : A 92 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00199) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 75:sc= -0.343 USER MOD Single : A 103 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0556) USER MOD Single : A 104 LYS NZ :NH3+ -168:sc= -0.0148 (180deg=-0.154) USER MOD Single : A 106 SER OG : rot 0:sc= 0.23 USER MOD Single : A 108 SER OG : rot 180:sc= -0.142 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.228 9.389 11.671 1.00 3.04 N ATOM 2 CA MET A 1 -13.657 8.043 12.136 1.00 23.12 C ATOM 3 C MET A 1 -13.927 8.058 13.653 1.00 60.31 C ATOM 4 O MET A 1 -13.356 8.881 14.377 1.00 1.13 O ATOM 5 CB MET A 1 -12.583 6.971 11.788 1.00 11.32 C ATOM 6 CG MET A 1 -12.249 6.838 10.290 1.00 31.52 C ATOM 7 SD MET A 1 -11.530 8.347 9.597 1.00 15.25 S ATOM 8 CE MET A 1 -11.126 7.825 7.929 1.00 65.53 C ATOM 0 H1 MET A 1 -12.620 9.289 10.833 1.00 3.04 H new ATOM 0 H2 MET A 1 -14.065 9.955 11.426 1.00 3.04 H new ATOM 0 H3 MET A 1 -12.698 9.865 12.429 1.00 3.04 H new ATOM 0 HA MET A 1 -14.581 7.783 11.620 1.00 23.12 H new ATOM 0 HB2 MET A 1 -11.667 7.209 12.328 1.00 11.32 H new ATOM 0 HB3 MET A 1 -12.927 6.004 12.154 1.00 11.32 H new ATOM 0 HG2 MET A 1 -11.553 6.011 10.149 1.00 31.52 H new ATOM 0 HG3 MET A 1 -13.157 6.588 9.741 1.00 31.52 H new ATOM 0 HE1 MET A 1 -10.675 8.656 7.387 1.00 65.53 H new ATOM 0 HE2 MET A 1 -10.423 6.993 7.968 1.00 65.53 H new ATOM 0 HE3 MET A 1 -12.034 7.508 7.417 1.00 65.53 H new ATOM 20 N GLY A 2 -14.792 7.128 14.116 1.00 24.31 N ATOM 21 CA GLY A 2 -15.163 7.026 15.536 1.00 4.24 C ATOM 22 C GLY A 2 -13.969 6.718 16.458 1.00 73.14 C ATOM 23 O GLY A 2 -13.247 5.738 16.228 1.00 14.41 O ATOM 0 H GLY A 2 -15.246 6.436 13.519 1.00 24.31 H new ATOM 0 HA2 GLY A 2 -15.625 7.962 15.852 1.00 4.24 H new ATOM 0 HA3 GLY A 2 -15.914 6.245 15.653 1.00 4.24 H new ATOM 27 N SER A 3 -13.760 7.566 17.492 1.00 53.24 N ATOM 28 CA SER A 3 -12.644 7.422 18.463 1.00 53.11 C ATOM 29 C SER A 3 -12.896 6.239 19.429 1.00 61.04 C ATOM 30 O SER A 3 -13.346 6.415 20.570 1.00 3.10 O ATOM 31 CB SER A 3 -12.436 8.745 19.245 1.00 51.53 C ATOM 32 OG SER A 3 -11.361 8.649 20.170 1.00 1.55 O ATOM 0 H SER A 3 -14.359 8.370 17.679 1.00 53.24 H new ATOM 0 HA SER A 3 -11.732 7.205 17.907 1.00 53.11 H new ATOM 0 HB2 SER A 3 -12.240 9.555 18.543 1.00 51.53 H new ATOM 0 HB3 SER A 3 -13.352 9.000 19.778 1.00 51.53 H new ATOM 0 HG SER A 3 -11.259 9.501 20.643 1.00 1.55 H new ATOM 38 N HIS A 4 -12.648 5.015 18.927 1.00 54.32 N ATOM 39 CA HIS A 4 -12.923 3.751 19.652 1.00 22.42 C ATOM 40 C HIS A 4 -11.780 2.730 19.451 1.00 31.24 C ATOM 41 O HIS A 4 -11.139 2.697 18.396 1.00 10.54 O ATOM 42 CB HIS A 4 -14.267 3.120 19.166 1.00 43.14 C ATOM 43 CG HIS A 4 -15.521 3.892 19.532 1.00 53.23 C ATOM 44 ND1 HIS A 4 -16.402 3.483 20.509 1.00 33.21 N ATOM 45 CD2 HIS A 4 -16.053 5.030 19.020 1.00 63.24 C ATOM 46 CE1 HIS A 4 -17.405 4.330 20.582 1.00 12.31 C ATOM 47 NE2 HIS A 4 -17.221 5.278 19.689 1.00 10.42 N ATOM 0 H HIS A 4 -12.248 4.870 18.000 1.00 54.32 H new ATOM 0 HA HIS A 4 -12.997 3.993 20.712 1.00 22.42 H new ATOM 0 HB2 HIS A 4 -14.228 3.017 18.082 1.00 43.14 H new ATOM 0 HB3 HIS A 4 -14.347 2.115 19.579 1.00 43.14 H new ATOM 0 HD1 HIS A 4 -16.293 2.650 21.088 1.00 33.21 H new ATOM 0 HD2 HIS A 4 -15.631 5.631 18.228 1.00 63.24 H new ATOM 0 HE1 HIS A 4 -18.241 4.259 21.262 1.00 12.31 H new ATOM 56 N GLN A 5 -11.552 1.885 20.472 1.00 3.25 N ATOM 57 CA GLN A 5 -10.662 0.700 20.374 1.00 72.54 C ATOM 58 C GLN A 5 -11.277 -0.358 19.416 1.00 4.54 C ATOM 59 O GLN A 5 -10.563 -1.124 18.768 1.00 3.42 O ATOM 60 CB GLN A 5 -10.411 0.113 21.791 1.00 25.51 C ATOM 61 CG GLN A 5 -9.412 -1.066 21.839 1.00 23.10 C ATOM 62 CD GLN A 5 -9.073 -1.522 23.263 1.00 34.22 C ATOM 63 OE1 GLN A 5 -8.129 -1.038 23.885 1.00 1.45 O ATOM 64 NE2 GLN A 5 -9.845 -2.442 23.802 1.00 34.34 N ATOM 0 H GLN A 5 -11.977 1.999 21.392 1.00 3.25 H new ATOM 0 HA GLN A 5 -9.701 1.001 19.957 1.00 72.54 H new ATOM 0 HB2 GLN A 5 -10.043 0.909 22.438 1.00 25.51 H new ATOM 0 HB3 GLN A 5 -11.363 -0.219 22.205 1.00 25.51 H new ATOM 0 HG2 GLN A 5 -9.829 -1.908 21.286 1.00 23.10 H new ATOM 0 HG3 GLN A 5 -8.493 -0.774 21.331 1.00 23.10 H new ATOM 0 HE21 GLN A 5 -10.623 -2.831 23.269 1.00 34.34 H new ATOM 0 HE22 GLN A 5 -9.665 -2.766 24.752 1.00 34.34 H new ATOM 73 N GLU A 6 -12.621 -0.361 19.352 1.00 12.10 N ATOM 74 CA GLU A 6 -13.420 -1.172 18.397 1.00 64.32 C ATOM 75 C GLU A 6 -13.015 -0.920 16.917 1.00 30.12 C ATOM 76 O GLU A 6 -12.979 -1.858 16.112 1.00 63.15 O ATOM 77 CB GLU A 6 -14.921 -0.853 18.607 1.00 4.33 C ATOM 78 CG GLU A 6 -15.426 -1.148 20.035 1.00 73.35 C ATOM 79 CD GLU A 6 -16.819 -0.565 20.319 1.00 21.52 C ATOM 80 OE1 GLU A 6 -17.835 -1.230 20.013 1.00 14.13 O ATOM 81 OE2 GLU A 6 -16.896 0.576 20.832 1.00 11.24 O ATOM 0 H GLU A 6 -13.198 0.208 19.971 1.00 12.10 H new ATOM 0 HA GLU A 6 -13.223 -2.225 18.597 1.00 64.32 H new ATOM 0 HB2 GLU A 6 -15.095 0.199 18.380 1.00 4.33 H new ATOM 0 HB3 GLU A 6 -15.509 -1.434 17.896 1.00 4.33 H new ATOM 0 HG2 GLU A 6 -15.453 -2.227 20.188 1.00 73.35 H new ATOM 0 HG3 GLU A 6 -14.716 -0.742 20.755 1.00 73.35 H new ATOM 88 N TYR A 7 -12.700 0.357 16.585 1.00 35.33 N ATOM 89 CA TYR A 7 -12.143 0.747 15.260 1.00 73.04 C ATOM 90 C TYR A 7 -10.814 0.005 14.991 1.00 42.34 C ATOM 91 O TYR A 7 -10.620 -0.589 13.928 1.00 73.34 O ATOM 92 CB TYR A 7 -11.909 2.289 15.198 1.00 52.50 C ATOM 93 CG TYR A 7 -11.244 2.790 13.892 1.00 30.32 C ATOM 94 CD1 TYR A 7 -11.997 3.006 12.735 1.00 31.12 C ATOM 95 CD2 TYR A 7 -9.862 3.038 13.817 1.00 14.43 C ATOM 96 CE1 TYR A 7 -11.403 3.435 11.560 1.00 74.13 C ATOM 97 CE2 TYR A 7 -9.270 3.471 12.641 1.00 75.12 C ATOM 98 CZ TYR A 7 -10.044 3.671 11.518 1.00 34.31 C ATOM 99 OH TYR A 7 -9.456 4.103 10.344 1.00 1.23 O ATOM 0 H TYR A 7 -12.823 1.143 17.223 1.00 35.33 H new ATOM 0 HA TYR A 7 -12.865 0.468 14.493 1.00 73.04 H new ATOM 0 HB2 TYR A 7 -12.868 2.794 15.318 1.00 52.50 H new ATOM 0 HB3 TYR A 7 -11.286 2.583 16.043 1.00 52.50 H new ATOM 0 HD1 TYR A 7 -13.063 2.835 12.758 1.00 31.12 H new ATOM 0 HD2 TYR A 7 -9.249 2.888 14.694 1.00 14.43 H new ATOM 0 HE1 TYR A 7 -12.004 3.585 10.675 1.00 74.13 H new ATOM 0 HE2 TYR A 7 -8.206 3.651 12.605 1.00 75.12 H new ATOM 0 HH TYR A 7 -8.494 4.222 10.485 1.00 1.23 H new ATOM 109 N ILE A 8 -9.932 0.041 16.005 1.00 13.31 N ATOM 110 CA ILE A 8 -8.574 -0.545 15.948 1.00 72.22 C ATOM 111 C ILE A 8 -8.621 -2.077 15.682 1.00 31.02 C ATOM 112 O ILE A 8 -7.800 -2.607 14.922 1.00 62.20 O ATOM 113 CB ILE A 8 -7.798 -0.234 17.290 1.00 34.44 C ATOM 114 CG1 ILE A 8 -7.738 1.314 17.546 1.00 3.02 C ATOM 115 CG2 ILE A 8 -6.381 -0.861 17.292 1.00 31.22 C ATOM 116 CD1 ILE A 8 -7.119 1.731 18.879 1.00 73.41 C ATOM 0 H ILE A 8 -10.141 0.483 16.900 1.00 13.31 H new ATOM 0 HA ILE A 8 -8.042 -0.088 15.114 1.00 72.22 H new ATOM 0 HB ILE A 8 -8.351 -0.694 18.109 1.00 34.44 H new ATOM 0 HG12 ILE A 8 -7.170 1.777 16.739 1.00 3.02 H new ATOM 0 HG13 ILE A 8 -8.751 1.714 17.493 1.00 3.02 H new ATOM 0 HG21 ILE A 8 -5.880 -0.625 18.231 1.00 31.22 H new ATOM 0 HG22 ILE A 8 -6.462 -1.943 17.186 1.00 31.22 H new ATOM 0 HG23 ILE A 8 -5.803 -0.457 16.461 1.00 31.22 H new ATOM 0 HD11 ILE A 8 -7.125 2.818 18.959 1.00 73.41 H new ATOM 0 HD12 ILE A 8 -7.698 1.304 19.698 1.00 73.41 H new ATOM 0 HD13 ILE A 8 -6.092 1.369 18.933 1.00 73.41 H new ATOM 128 N LYS A 9 -9.610 -2.763 16.292 1.00 65.13 N ATOM 129 CA LYS A 9 -9.819 -4.224 16.109 1.00 63.13 C ATOM 130 C LYS A 9 -10.148 -4.573 14.634 1.00 53.33 C ATOM 131 O LYS A 9 -9.505 -5.437 14.023 1.00 51.01 O ATOM 132 CB LYS A 9 -10.989 -4.720 16.998 1.00 3.44 C ATOM 133 CG LYS A 9 -10.882 -4.388 18.494 1.00 24.43 C ATOM 134 CD LYS A 9 -12.154 -4.819 19.263 1.00 15.31 C ATOM 135 CE LYS A 9 -12.194 -4.281 20.693 1.00 54.20 C ATOM 136 NZ LYS A 9 -13.428 -4.693 21.413 1.00 3.01 N ATOM 0 H LYS A 9 -10.284 -2.328 16.922 1.00 65.13 H new ATOM 0 HA LYS A 9 -8.890 -4.716 16.396 1.00 63.13 H new ATOM 0 HB2 LYS A 9 -11.916 -4.293 16.616 1.00 3.44 H new ATOM 0 HB3 LYS A 9 -11.068 -5.802 16.890 1.00 3.44 H new ATOM 0 HG2 LYS A 9 -10.012 -4.890 18.918 1.00 24.43 H new ATOM 0 HG3 LYS A 9 -10.725 -3.317 18.620 1.00 24.43 H new ATOM 0 HD2 LYS A 9 -13.035 -4.470 18.724 1.00 15.31 H new ATOM 0 HD3 LYS A 9 -12.206 -5.907 19.288 1.00 15.31 H new ATOM 0 HE2 LYS A 9 -11.321 -4.638 21.238 1.00 54.20 H new ATOM 0 HE3 LYS A 9 -12.134 -3.193 20.672 1.00 54.20 H new ATOM 0 HZ1 LYS A 9 -13.412 -4.306 22.378 1.00 3.01 H new ATOM 0 HZ2 LYS A 9 -14.262 -4.331 20.908 1.00 3.01 H new ATOM 0 HZ3 LYS A 9 -13.474 -5.731 21.457 1.00 3.01 H new ATOM 150 N LYS A 10 -11.145 -3.861 14.077 1.00 33.34 N ATOM 151 CA LYS A 10 -11.675 -4.115 12.717 1.00 44.43 C ATOM 152 C LYS A 10 -10.639 -3.789 11.625 1.00 20.43 C ATOM 153 O LYS A 10 -10.423 -4.575 10.690 1.00 51.40 O ATOM 154 CB LYS A 10 -12.944 -3.260 12.474 1.00 1.04 C ATOM 155 CG LYS A 10 -14.108 -3.506 13.455 1.00 53.42 C ATOM 156 CD LYS A 10 -15.366 -2.668 13.101 1.00 61.53 C ATOM 157 CE LYS A 10 -15.092 -1.150 13.039 1.00 15.13 C ATOM 158 NZ LYS A 10 -16.307 -0.385 12.657 1.00 41.15 N ATOM 0 H LYS A 10 -11.610 -3.090 14.556 1.00 33.34 H new ATOM 0 HA LYS A 10 -11.915 -5.177 12.658 1.00 44.43 H new ATOM 0 HB2 LYS A 10 -12.666 -2.207 12.524 1.00 1.04 H new ATOM 0 HB3 LYS A 10 -13.300 -3.449 11.461 1.00 1.04 H new ATOM 0 HG2 LYS A 10 -14.367 -4.565 13.450 1.00 53.42 H new ATOM 0 HG3 LYS A 10 -13.785 -3.262 14.467 1.00 53.42 H new ATOM 0 HD2 LYS A 10 -15.755 -2.999 12.138 1.00 61.53 H new ATOM 0 HD3 LYS A 10 -16.142 -2.860 13.842 1.00 61.53 H new ATOM 0 HE2 LYS A 10 -14.736 -0.805 14.010 1.00 15.13 H new ATOM 0 HE3 LYS A 10 -14.297 -0.953 12.319 1.00 15.13 H new ATOM 0 HZ1 LYS A 10 -16.083 0.630 12.626 1.00 41.15 H new ATOM 0 HZ2 LYS A 10 -16.633 -0.696 11.720 1.00 41.15 H new ATOM 0 HZ3 LYS A 10 -17.057 -0.553 13.357 1.00 41.15 H new ATOM 172 N VAL A 11 -10.002 -2.616 11.775 1.00 10.41 N ATOM 173 CA VAL A 11 -9.063 -2.059 10.784 1.00 34.52 C ATOM 174 C VAL A 11 -7.778 -2.924 10.636 1.00 2.25 C ATOM 175 O VAL A 11 -7.072 -2.833 9.628 1.00 52.52 O ATOM 176 CB VAL A 11 -8.719 -0.554 11.117 1.00 72.05 C ATOM 177 CG1 VAL A 11 -7.665 -0.411 12.244 1.00 3.42 C ATOM 178 CG2 VAL A 11 -8.312 0.220 9.849 1.00 0.23 C ATOM 0 H VAL A 11 -10.125 -2.021 12.595 1.00 10.41 H new ATOM 0 HA VAL A 11 -9.563 -2.083 9.816 1.00 34.52 H new ATOM 0 HB VAL A 11 -9.633 -0.103 11.503 1.00 72.05 H new ATOM 0 HG11 VAL A 11 -7.470 0.646 12.428 1.00 3.42 H new ATOM 0 HG12 VAL A 11 -8.042 -0.874 13.156 1.00 3.42 H new ATOM 0 HG13 VAL A 11 -6.741 -0.903 11.942 1.00 3.42 H new ATOM 0 HG21 VAL A 11 -8.081 1.253 10.111 1.00 0.23 H new ATOM 0 HG22 VAL A 11 -7.433 -0.246 9.404 1.00 0.23 H new ATOM 0 HG23 VAL A 11 -9.133 0.202 9.133 1.00 0.23 H new ATOM 188 N THR A 12 -7.490 -3.749 11.665 1.00 75.22 N ATOM 189 CA THR A 12 -6.406 -4.763 11.633 1.00 33.30 C ATOM 190 C THR A 12 -6.655 -5.822 10.517 1.00 64.42 C ATOM 191 O THR A 12 -5.741 -6.168 9.754 1.00 0.32 O ATOM 192 CB THR A 12 -6.285 -5.475 13.027 1.00 1.40 C ATOM 193 OG1 THR A 12 -5.936 -4.515 14.040 1.00 55.51 O ATOM 194 CG2 THR A 12 -5.251 -6.617 13.043 1.00 4.11 C ATOM 0 H THR A 12 -8.003 -3.733 12.546 1.00 75.22 H new ATOM 0 HA THR A 12 -5.472 -4.246 11.411 1.00 33.30 H new ATOM 0 HB THR A 12 -7.260 -5.918 13.229 1.00 1.40 H new ATOM 0 HG1 THR A 12 -6.704 -3.933 14.218 1.00 55.51 H new ATOM 0 HG21 THR A 12 -5.219 -7.065 14.036 1.00 4.11 H new ATOM 0 HG22 THR A 12 -5.534 -7.375 12.312 1.00 4.11 H new ATOM 0 HG23 THR A 12 -4.267 -6.221 12.792 1.00 4.11 H new ATOM 202 N ASP A 13 -7.900 -6.329 10.437 1.00 33.25 N ATOM 203 CA ASP A 13 -8.309 -7.293 9.384 1.00 14.15 C ATOM 204 C ASP A 13 -8.494 -6.579 8.023 1.00 34.41 C ATOM 205 O ASP A 13 -8.141 -7.123 6.972 1.00 1.23 O ATOM 206 CB ASP A 13 -9.624 -8.008 9.784 1.00 23.34 C ATOM 207 CG ASP A 13 -9.586 -8.584 11.207 1.00 73.43 C ATOM 208 OD1 ASP A 13 -9.101 -9.723 11.395 1.00 71.41 O ATOM 209 OD2 ASP A 13 -10.023 -7.883 12.145 1.00 64.23 O ATOM 0 H ASP A 13 -8.646 -6.089 11.089 1.00 33.25 H new ATOM 0 HA ASP A 13 -7.517 -8.035 9.283 1.00 14.15 H new ATOM 0 HB2 ASP A 13 -10.452 -7.304 9.705 1.00 23.34 H new ATOM 0 HB3 ASP A 13 -9.822 -8.814 9.077 1.00 23.34 H new ATOM 214 N GLU A 14 -9.057 -5.354 8.067 1.00 3.13 N ATOM 215 CA GLU A 14 -9.226 -4.489 6.874 1.00 21.22 C ATOM 216 C GLU A 14 -7.868 -4.107 6.236 1.00 13.31 C ATOM 217 O GLU A 14 -7.810 -3.828 5.042 1.00 51.01 O ATOM 218 CB GLU A 14 -10.008 -3.213 7.246 1.00 4.15 C ATOM 219 CG GLU A 14 -11.483 -3.441 7.644 1.00 41.33 C ATOM 220 CD GLU A 14 -12.178 -2.151 8.115 1.00 71.25 C ATOM 221 OE1 GLU A 14 -12.320 -1.212 7.301 1.00 35.53 O ATOM 222 OE2 GLU A 14 -12.583 -2.071 9.293 1.00 24.21 O ATOM 0 H GLU A 14 -9.408 -4.934 8.928 1.00 3.13 H new ATOM 0 HA GLU A 14 -9.789 -5.061 6.137 1.00 21.22 H new ATOM 0 HB2 GLU A 14 -9.497 -2.720 8.073 1.00 4.15 H new ATOM 0 HB3 GLU A 14 -9.978 -2.527 6.399 1.00 4.15 H new ATOM 0 HG2 GLU A 14 -12.026 -3.851 6.792 1.00 41.33 H new ATOM 0 HG3 GLU A 14 -11.530 -4.185 8.439 1.00 41.33 H new ATOM 229 N LEU A 15 -6.796 -4.088 7.054 1.00 4.13 N ATOM 230 CA LEU A 15 -5.407 -3.935 6.574 1.00 0.14 C ATOM 231 C LEU A 15 -5.023 -5.099 5.616 1.00 72.02 C ATOM 232 O LEU A 15 -4.469 -4.868 4.552 1.00 45.33 O ATOM 233 CB LEU A 15 -4.426 -3.884 7.783 1.00 20.35 C ATOM 234 CG LEU A 15 -2.879 -3.878 7.437 1.00 35.03 C ATOM 235 CD1 LEU A 15 -2.179 -2.562 7.833 1.00 24.21 C ATOM 236 CD2 LEU A 15 -2.166 -5.095 8.065 1.00 34.01 C ATOM 0 H LEU A 15 -6.869 -4.178 8.067 1.00 4.13 H new ATOM 0 HA LEU A 15 -5.334 -2.999 6.020 1.00 0.14 H new ATOM 0 HB2 LEU A 15 -4.649 -2.990 8.366 1.00 20.35 H new ATOM 0 HB3 LEU A 15 -4.629 -4.742 8.424 1.00 20.35 H new ATOM 0 HG LEU A 15 -2.805 -3.953 6.352 1.00 35.03 H new ATOM 0 HD11 LEU A 15 -1.122 -2.619 7.571 1.00 24.21 H new ATOM 0 HD12 LEU A 15 -2.641 -1.730 7.301 1.00 24.21 H new ATOM 0 HD13 LEU A 15 -2.279 -2.406 8.907 1.00 24.21 H new ATOM 0 HD21 LEU A 15 -1.106 -5.066 7.812 1.00 34.01 H new ATOM 0 HD22 LEU A 15 -2.281 -5.065 9.148 1.00 34.01 H new ATOM 0 HD23 LEU A 15 -2.606 -6.014 7.678 1.00 34.01 H new ATOM 248 N LYS A 16 -5.357 -6.345 6.014 1.00 63.43 N ATOM 249 CA LYS A 16 -5.112 -7.569 5.188 1.00 12.03 C ATOM 250 C LYS A 16 -5.969 -7.571 3.891 1.00 34.24 C ATOM 251 O LYS A 16 -5.500 -8.020 2.839 1.00 11.53 O ATOM 252 CB LYS A 16 -5.378 -8.870 6.020 1.00 73.35 C ATOM 253 CG LYS A 16 -4.162 -9.437 6.794 1.00 2.13 C ATOM 254 CD LYS A 16 -3.533 -8.441 7.788 1.00 74.21 C ATOM 255 CE LYS A 16 -2.362 -9.044 8.587 1.00 34.35 C ATOM 256 NZ LYS A 16 -1.309 -9.633 7.715 1.00 74.42 N ATOM 0 H LYS A 16 -5.802 -6.541 6.910 1.00 63.43 H new ATOM 0 HA LYS A 16 -4.063 -7.553 4.893 1.00 12.03 H new ATOM 0 HB2 LYS A 16 -6.175 -8.665 6.734 1.00 73.35 H new ATOM 0 HB3 LYS A 16 -5.746 -9.642 5.344 1.00 73.35 H new ATOM 0 HG2 LYS A 16 -4.474 -10.329 7.337 1.00 2.13 H new ATOM 0 HG3 LYS A 16 -3.402 -9.749 6.078 1.00 2.13 H new ATOM 0 HD2 LYS A 16 -3.180 -7.566 7.242 1.00 74.21 H new ATOM 0 HD3 LYS A 16 -4.300 -8.096 8.482 1.00 74.21 H new ATOM 0 HE2 LYS A 16 -1.918 -8.269 9.212 1.00 34.35 H new ATOM 0 HE3 LYS A 16 -2.744 -9.814 9.257 1.00 34.35 H new ATOM 0 HZ1 LYS A 16 -0.374 -9.467 8.139 1.00 74.42 H new ATOM 0 HZ2 LYS A 16 -1.469 -10.656 7.620 1.00 74.42 H new ATOM 0 HZ3 LYS A 16 -1.347 -9.188 6.776 1.00 74.42 H new ATOM 270 N GLU A 17 -7.222 -7.073 3.990 1.00 45.32 N ATOM 271 CA GLU A 17 -8.117 -6.878 2.814 1.00 51.22 C ATOM 272 C GLU A 17 -7.496 -5.890 1.816 1.00 62.40 C ATOM 273 O GLU A 17 -7.415 -6.150 0.613 1.00 42.30 O ATOM 274 CB GLU A 17 -9.512 -6.349 3.261 1.00 31.13 C ATOM 275 CG GLU A 17 -10.278 -7.263 4.236 1.00 72.12 C ATOM 276 CD GLU A 17 -10.573 -8.660 3.661 1.00 43.10 C ATOM 277 OE1 GLU A 17 -11.392 -8.764 2.723 1.00 5.34 O ATOM 278 OE2 GLU A 17 -9.997 -9.657 4.148 1.00 31.12 O ATOM 0 H GLU A 17 -7.644 -6.795 4.876 1.00 45.32 H new ATOM 0 HA GLU A 17 -8.241 -7.847 2.330 1.00 51.22 H new ATOM 0 HB2 GLU A 17 -9.380 -5.374 3.730 1.00 31.13 H new ATOM 0 HB3 GLU A 17 -10.126 -6.195 2.374 1.00 31.13 H new ATOM 0 HG2 GLU A 17 -9.698 -7.371 5.153 1.00 72.12 H new ATOM 0 HG3 GLU A 17 -11.219 -6.784 4.508 1.00 72.12 H new ATOM 285 N LEU A 18 -7.017 -4.781 2.370 1.00 72.44 N ATOM 286 CA LEU A 18 -6.409 -3.671 1.627 1.00 14.33 C ATOM 287 C LEU A 18 -5.128 -4.140 0.894 1.00 71.02 C ATOM 288 O LEU A 18 -4.935 -3.867 -0.290 1.00 32.15 O ATOM 289 CB LEU A 18 -6.112 -2.515 2.644 1.00 21.15 C ATOM 290 CG LEU A 18 -6.410 -1.060 2.171 1.00 61.01 C ATOM 291 CD1 LEU A 18 -7.782 -0.990 1.482 1.00 23.21 C ATOM 292 CD2 LEU A 18 -6.342 -0.069 3.359 1.00 15.20 C ATOM 0 H LEU A 18 -7.039 -4.620 3.377 1.00 72.44 H new ATOM 0 HA LEU A 18 -7.089 -3.307 0.857 1.00 14.33 H new ATOM 0 HB2 LEU A 18 -6.692 -2.702 3.548 1.00 21.15 H new ATOM 0 HB3 LEU A 18 -5.060 -2.571 2.923 1.00 21.15 H new ATOM 0 HG LEU A 18 -5.646 -0.772 1.448 1.00 61.01 H new ATOM 0 HD11 LEU A 18 -7.975 0.033 1.158 1.00 23.21 H new ATOM 0 HD12 LEU A 18 -7.789 -1.652 0.616 1.00 23.21 H new ATOM 0 HD13 LEU A 18 -8.557 -1.301 2.182 1.00 23.21 H new ATOM 0 HD21 LEU A 18 -6.553 0.940 3.004 1.00 15.20 H new ATOM 0 HD22 LEU A 18 -7.079 -0.351 4.111 1.00 15.20 H new ATOM 0 HD23 LEU A 18 -5.345 -0.097 3.800 1.00 15.20 H new ATOM 304 N ILE A 19 -4.300 -4.889 1.634 1.00 72.12 N ATOM 305 CA ILE A 19 -3.061 -5.530 1.139 1.00 71.25 C ATOM 306 C ILE A 19 -3.351 -6.564 0.020 1.00 15.52 C ATOM 307 O ILE A 19 -2.587 -6.657 -0.942 1.00 15.11 O ATOM 308 CB ILE A 19 -2.298 -6.188 2.364 1.00 11.15 C ATOM 309 CG1 ILE A 19 -1.593 -5.070 3.213 1.00 21.23 C ATOM 310 CG2 ILE A 19 -1.304 -7.307 1.952 1.00 5.33 C ATOM 311 CD1 ILE A 19 -1.011 -5.537 4.534 1.00 42.21 C ATOM 0 H ILE A 19 -4.473 -5.075 2.622 1.00 72.12 H new ATOM 0 HA ILE A 19 -2.424 -4.769 0.687 1.00 71.25 H new ATOM 0 HB ILE A 19 -3.048 -6.688 2.977 1.00 11.15 H new ATOM 0 HG12 ILE A 19 -0.793 -4.632 2.616 1.00 21.23 H new ATOM 0 HG13 ILE A 19 -2.314 -4.277 3.411 1.00 21.23 H new ATOM 0 HG21 ILE A 19 -0.820 -7.710 2.842 1.00 5.33 H new ATOM 0 HG22 ILE A 19 -1.845 -8.104 1.441 1.00 5.33 H new ATOM 0 HG23 ILE A 19 -0.548 -6.894 1.283 1.00 5.33 H new ATOM 0 HD11 ILE A 19 -0.547 -4.694 5.045 1.00 42.21 H new ATOM 0 HD12 ILE A 19 -1.806 -5.946 5.157 1.00 42.21 H new ATOM 0 HD13 ILE A 19 -0.262 -6.307 4.350 1.00 42.21 H new ATOM 323 N GLN A 20 -4.466 -7.313 0.147 1.00 4.50 N ATOM 324 CA GLN A 20 -4.899 -8.287 -0.886 1.00 43.32 C ATOM 325 C GLN A 20 -5.216 -7.576 -2.226 1.00 62.32 C ATOM 326 O GLN A 20 -4.751 -8.003 -3.281 1.00 5.32 O ATOM 327 CB GLN A 20 -6.134 -9.105 -0.405 1.00 64.33 C ATOM 328 CG GLN A 20 -6.657 -10.171 -1.406 1.00 3.34 C ATOM 329 CD GLN A 20 -5.740 -11.399 -1.597 1.00 43.13 C ATOM 330 OE1 GLN A 20 -4.524 -11.343 -1.452 1.00 52.34 O ATOM 331 NE2 GLN A 20 -6.323 -12.526 -1.947 1.00 13.51 N ATOM 0 H GLN A 20 -5.086 -7.264 0.955 1.00 4.50 H new ATOM 0 HA GLN A 20 -4.072 -8.978 -1.050 1.00 43.32 H new ATOM 0 HB2 GLN A 20 -5.877 -9.604 0.529 1.00 64.33 H new ATOM 0 HB3 GLN A 20 -6.944 -8.411 -0.183 1.00 64.33 H new ATOM 0 HG2 GLN A 20 -7.634 -10.516 -1.067 1.00 3.34 H new ATOM 0 HG3 GLN A 20 -6.806 -9.694 -2.375 1.00 3.34 H new ATOM 0 HE21 GLN A 20 -7.336 -12.561 -2.065 1.00 13.51 H new ATOM 0 HE22 GLN A 20 -5.762 -13.364 -2.100 1.00 13.51 H new ATOM 340 N ASN A 21 -5.993 -6.471 -2.161 1.00 22.31 N ATOM 341 CA ASN A 21 -6.345 -5.666 -3.360 1.00 54.52 C ATOM 342 C ASN A 21 -5.096 -5.020 -4.021 1.00 11.41 C ATOM 343 O ASN A 21 -4.999 -4.978 -5.251 1.00 70.00 O ATOM 344 CB ASN A 21 -7.381 -4.562 -3.026 1.00 44.03 C ATOM 345 CG ASN A 21 -8.742 -5.119 -2.605 1.00 44.32 C ATOM 346 OD1 ASN A 21 -9.569 -5.472 -3.437 1.00 5.14 O ATOM 347 ND2 ASN A 21 -9.010 -5.156 -1.322 1.00 1.42 N ATOM 0 H ASN A 21 -6.390 -6.114 -1.292 1.00 22.31 H new ATOM 0 HA ASN A 21 -6.788 -6.364 -4.070 1.00 54.52 H new ATOM 0 HB2 ASN A 21 -6.989 -3.935 -2.225 1.00 44.03 H new ATOM 0 HB3 ASN A 21 -7.512 -3.920 -3.897 1.00 44.03 H new ATOM 0 HD21 ASN A 21 -9.921 -5.483 -1.001 1.00 1.42 H new ATOM 0 HD22 ASN A 21 -8.307 -4.858 -0.645 1.00 1.42 H new ATOM 354 N VAL A 22 -4.154 -4.516 -3.186 1.00 33.13 N ATOM 355 CA VAL A 22 -2.887 -3.918 -3.676 1.00 20.53 C ATOM 356 C VAL A 22 -2.023 -4.977 -4.394 1.00 53.11 C ATOM 357 O VAL A 22 -1.683 -4.799 -5.556 1.00 34.02 O ATOM 358 CB VAL A 22 -2.050 -3.237 -2.520 1.00 70.43 C ATOM 359 CG1 VAL A 22 -0.686 -2.711 -3.027 1.00 42.33 C ATOM 360 CG2 VAL A 22 -2.837 -2.088 -1.866 1.00 70.13 C ATOM 0 H VAL A 22 -4.248 -4.512 -2.170 1.00 33.13 H new ATOM 0 HA VAL A 22 -3.166 -3.137 -4.383 1.00 20.53 H new ATOM 0 HB VAL A 22 -1.862 -4.009 -1.774 1.00 70.43 H new ATOM 0 HG11 VAL A 22 -0.144 -2.251 -2.201 1.00 42.33 H new ATOM 0 HG12 VAL A 22 -0.102 -3.540 -3.427 1.00 42.33 H new ATOM 0 HG13 VAL A 22 -0.850 -1.971 -3.810 1.00 42.33 H new ATOM 0 HG21 VAL A 22 -2.236 -1.639 -1.075 1.00 70.13 H new ATOM 0 HG22 VAL A 22 -3.070 -1.333 -2.617 1.00 70.13 H new ATOM 0 HG23 VAL A 22 -3.763 -2.476 -1.442 1.00 70.13 H new ATOM 370 N ASN A 23 -1.708 -6.087 -3.690 1.00 11.21 N ATOM 371 CA ASN A 23 -0.898 -7.206 -4.239 1.00 70.20 C ATOM 372 C ASN A 23 -1.482 -7.747 -5.560 1.00 31.03 C ATOM 373 O ASN A 23 -0.764 -7.822 -6.549 1.00 64.05 O ATOM 374 CB ASN A 23 -0.765 -8.362 -3.208 1.00 62.13 C ATOM 375 CG ASN A 23 0.188 -8.037 -2.053 1.00 54.04 C ATOM 376 OD1 ASN A 23 1.170 -7.320 -2.224 1.00 53.25 O ATOM 377 ND2 ASN A 23 -0.087 -8.563 -0.876 1.00 73.12 N ATOM 0 H ASN A 23 -2.006 -6.236 -2.726 1.00 11.21 H new ATOM 0 HA ASN A 23 0.093 -6.802 -4.447 1.00 70.20 H new ATOM 0 HB2 ASN A 23 -1.750 -8.593 -2.803 1.00 62.13 H new ATOM 0 HB3 ASN A 23 -0.412 -9.257 -3.720 1.00 62.13 H new ATOM 0 HD21 ASN A 23 0.523 -8.378 -0.080 1.00 73.12 H new ATOM 0 HD22 ASN A 23 -0.910 -9.155 -0.762 1.00 73.12 H new ATOM 384 N ASP A 24 -2.787 -8.087 -5.564 1.00 60.23 N ATOM 385 CA ASP A 24 -3.487 -8.620 -6.761 1.00 75.23 C ATOM 386 C ASP A 24 -3.430 -7.651 -7.972 1.00 61.42 C ATOM 387 O ASP A 24 -3.221 -8.091 -9.113 1.00 60.25 O ATOM 388 CB ASP A 24 -4.960 -8.982 -6.406 1.00 70.11 C ATOM 389 CG ASP A 24 -5.115 -10.246 -5.530 1.00 51.50 C ATOM 390 OD1 ASP A 24 -4.099 -10.799 -5.042 1.00 22.30 O ATOM 391 OD2 ASP A 24 -6.266 -10.708 -5.355 1.00 11.31 O ATOM 0 H ASP A 24 -3.387 -8.002 -4.744 1.00 60.23 H new ATOM 0 HA ASP A 24 -2.960 -9.524 -7.066 1.00 75.23 H new ATOM 0 HB2 ASP A 24 -5.414 -8.138 -5.887 1.00 70.11 H new ATOM 0 HB3 ASP A 24 -5.519 -9.125 -7.331 1.00 70.11 H new ATOM 396 N ASP A 25 -3.596 -6.345 -7.718 1.00 24.22 N ATOM 397 CA ASP A 25 -3.441 -5.300 -8.756 1.00 5.23 C ATOM 398 C ASP A 25 -1.993 -5.249 -9.307 1.00 43.00 C ATOM 399 O ASP A 25 -1.805 -5.307 -10.523 1.00 1.10 O ATOM 400 CB ASP A 25 -3.883 -3.904 -8.215 1.00 1.22 C ATOM 401 CG ASP A 25 -5.316 -3.520 -8.613 1.00 55.13 C ATOM 402 OD1 ASP A 25 -5.659 -3.670 -9.812 1.00 62.24 O ATOM 403 OD2 ASP A 25 -6.106 -3.072 -7.751 1.00 43.14 O ATOM 0 H ASP A 25 -3.839 -5.979 -6.797 1.00 24.22 H new ATOM 0 HA ASP A 25 -4.096 -5.566 -9.586 1.00 5.23 H new ATOM 0 HB2 ASP A 25 -3.803 -3.902 -7.128 1.00 1.22 H new ATOM 0 HB3 ASP A 25 -3.195 -3.144 -8.586 1.00 1.22 H new ATOM 408 N ILE A 26 -0.984 -5.177 -8.400 1.00 13.44 N ATOM 409 CA ILE A 26 0.457 -5.148 -8.785 1.00 72.41 C ATOM 410 C ILE A 26 0.833 -6.401 -9.613 1.00 24.32 C ATOM 411 O ILE A 26 1.538 -6.296 -10.603 1.00 54.42 O ATOM 412 CB ILE A 26 1.422 -5.076 -7.542 1.00 22.33 C ATOM 413 CG1 ILE A 26 1.109 -3.865 -6.621 1.00 12.44 C ATOM 414 CG2 ILE A 26 2.906 -5.018 -7.989 1.00 73.44 C ATOM 415 CD1 ILE A 26 1.846 -3.901 -5.287 1.00 25.54 C ATOM 0 H ILE A 26 -1.140 -5.138 -7.393 1.00 13.44 H new ATOM 0 HA ILE A 26 0.585 -4.242 -9.378 1.00 72.41 H new ATOM 0 HB ILE A 26 1.253 -5.988 -6.969 1.00 22.33 H new ATOM 0 HG12 ILE A 26 1.369 -2.945 -7.145 1.00 12.44 H new ATOM 0 HG13 ILE A 26 0.036 -3.832 -6.432 1.00 12.44 H new ATOM 0 HG21 ILE A 26 3.549 -4.969 -7.110 1.00 73.44 H new ATOM 0 HG22 ILE A 26 3.147 -5.911 -8.566 1.00 73.44 H new ATOM 0 HG23 ILE A 26 3.066 -4.133 -8.606 1.00 73.44 H new ATOM 0 HD11 ILE A 26 1.577 -3.024 -4.699 1.00 25.54 H new ATOM 0 HD12 ILE A 26 1.567 -4.803 -4.742 1.00 25.54 H new ATOM 0 HD13 ILE A 26 2.921 -3.902 -5.465 1.00 25.54 H new ATOM 427 N LYS A 27 0.315 -7.572 -9.196 1.00 43.11 N ATOM 428 CA LYS A 27 0.513 -8.870 -9.893 1.00 21.04 C ATOM 429 C LYS A 27 0.096 -8.789 -11.381 1.00 13.52 C ATOM 430 O LYS A 27 0.736 -9.392 -12.253 1.00 24.21 O ATOM 431 CB LYS A 27 -0.277 -9.996 -9.154 1.00 60.00 C ATOM 432 CG LYS A 27 0.376 -10.472 -7.823 1.00 5.24 C ATOM 433 CD LYS A 27 -0.625 -11.125 -6.827 1.00 2.40 C ATOM 434 CE LYS A 27 -1.444 -12.279 -7.430 1.00 53.11 C ATOM 435 NZ LYS A 27 -2.432 -12.822 -6.459 1.00 63.42 N ATOM 0 H LYS A 27 -0.260 -7.651 -8.357 1.00 43.11 H new ATOM 0 HA LYS A 27 1.576 -9.109 -9.870 1.00 21.04 H new ATOM 0 HB2 LYS A 27 -1.284 -9.638 -8.943 1.00 60.00 H new ATOM 0 HB3 LYS A 27 -0.377 -10.852 -9.822 1.00 60.00 H new ATOM 0 HG2 LYS A 27 1.164 -11.189 -8.053 1.00 5.24 H new ATOM 0 HG3 LYS A 27 0.852 -9.620 -7.338 1.00 5.24 H new ATOM 0 HD2 LYS A 27 -0.073 -11.497 -5.964 1.00 2.40 H new ATOM 0 HD3 LYS A 27 -1.309 -10.360 -6.461 1.00 2.40 H new ATOM 0 HE2 LYS A 27 -1.965 -11.928 -8.321 1.00 53.11 H new ATOM 0 HE3 LYS A 27 -0.771 -13.075 -7.747 1.00 53.11 H new ATOM 0 HZ1 LYS A 27 -3.086 -13.463 -6.951 1.00 63.42 H new ATOM 0 HZ2 LYS A 27 -1.933 -13.344 -5.711 1.00 63.42 H new ATOM 0 HZ3 LYS A 27 -2.969 -12.039 -6.035 1.00 63.42 H new ATOM 449 N GLU A 28 -0.968 -8.018 -11.654 1.00 31.03 N ATOM 450 CA GLU A 28 -1.397 -7.717 -13.028 1.00 3.35 C ATOM 451 C GLU A 28 -0.439 -6.707 -13.718 1.00 64.54 C ATOM 452 O GLU A 28 -0.102 -6.886 -14.890 1.00 50.33 O ATOM 453 CB GLU A 28 -2.856 -7.186 -13.046 1.00 72.32 C ATOM 454 CG GLU A 28 -3.903 -8.193 -12.520 1.00 42.54 C ATOM 455 CD GLU A 28 -5.361 -7.721 -12.699 1.00 22.24 C ATOM 456 OE1 GLU A 28 -5.845 -7.686 -13.850 1.00 60.00 O ATOM 457 OE2 GLU A 28 -6.032 -7.398 -11.696 1.00 64.00 O ATOM 0 H GLU A 28 -1.551 -7.589 -10.935 1.00 31.03 H new ATOM 0 HA GLU A 28 -1.360 -8.648 -13.594 1.00 3.35 H new ATOM 0 HB2 GLU A 28 -2.908 -6.278 -12.445 1.00 72.32 H new ATOM 0 HB3 GLU A 28 -3.117 -6.908 -14.067 1.00 72.32 H new ATOM 0 HG2 GLU A 28 -3.772 -9.144 -13.037 1.00 42.54 H new ATOM 0 HG3 GLU A 28 -3.717 -8.378 -11.462 1.00 42.54 H new ATOM 464 N VAL A 29 0.027 -5.669 -12.974 1.00 45.41 N ATOM 465 CA VAL A 29 0.879 -4.596 -13.560 1.00 51.11 C ATOM 466 C VAL A 29 2.338 -5.072 -13.868 1.00 4.02 C ATOM 467 O VAL A 29 2.989 -4.534 -14.763 1.00 0.15 O ATOM 468 CB VAL A 29 0.964 -3.287 -12.679 1.00 10.14 C ATOM 469 CG1 VAL A 29 1.454 -2.111 -13.546 1.00 4.15 C ATOM 470 CG2 VAL A 29 -0.367 -2.922 -11.989 1.00 13.42 C ATOM 0 H VAL A 29 -0.169 -5.552 -11.980 1.00 45.41 H new ATOM 0 HA VAL A 29 0.367 -4.354 -14.492 1.00 51.11 H new ATOM 0 HB VAL A 29 1.676 -3.491 -11.879 1.00 10.14 H new ATOM 0 HG11 VAL A 29 1.512 -1.209 -12.937 1.00 4.15 H new ATOM 0 HG12 VAL A 29 2.441 -2.342 -13.948 1.00 4.15 H new ATOM 0 HG13 VAL A 29 0.756 -1.949 -14.368 1.00 4.15 H new ATOM 0 HG21 VAL A 29 -0.235 -2.013 -11.401 1.00 13.42 H new ATOM 0 HG22 VAL A 29 -1.135 -2.757 -12.744 1.00 13.42 H new ATOM 0 HG23 VAL A 29 -0.672 -3.737 -11.333 1.00 13.42 H new ATOM 480 N GLU A 30 2.847 -6.072 -13.130 1.00 23.33 N ATOM 481 CA GLU A 30 4.195 -6.656 -13.391 1.00 75.32 C ATOM 482 C GLU A 30 4.256 -7.262 -14.810 1.00 23.33 C ATOM 483 O GLU A 30 5.290 -7.220 -15.483 1.00 23.23 O ATOM 484 CB GLU A 30 4.527 -7.746 -12.339 1.00 21.33 C ATOM 485 CG GLU A 30 4.546 -7.224 -10.883 1.00 12.35 C ATOM 486 CD GLU A 30 4.780 -8.311 -9.821 1.00 61.33 C ATOM 487 OE1 GLU A 30 3.917 -9.200 -9.669 1.00 74.54 O ATOM 488 OE2 GLU A 30 5.805 -8.266 -9.105 1.00 13.12 O ATOM 0 H GLU A 30 2.354 -6.500 -12.346 1.00 23.33 H new ATOM 0 HA GLU A 30 4.933 -5.857 -13.316 1.00 75.32 H new ATOM 0 HB2 GLU A 30 3.794 -8.549 -12.418 1.00 21.33 H new ATOM 0 HB3 GLU A 30 5.500 -8.179 -12.573 1.00 21.33 H new ATOM 0 HG2 GLU A 30 5.327 -6.469 -10.791 1.00 12.35 H new ATOM 0 HG3 GLU A 30 3.598 -6.729 -10.675 1.00 12.35 H new ATOM 495 N LYS A 31 3.110 -7.804 -15.240 1.00 75.25 N ATOM 496 CA LYS A 31 2.930 -8.408 -16.568 1.00 75.22 C ATOM 497 C LYS A 31 2.379 -7.371 -17.598 1.00 53.04 C ATOM 498 O LYS A 31 2.633 -7.475 -18.801 1.00 73.31 O ATOM 499 CB LYS A 31 1.979 -9.627 -16.414 1.00 74.40 C ATOM 500 CG LYS A 31 1.926 -10.558 -17.640 1.00 2.13 C ATOM 501 CD LYS A 31 1.086 -11.836 -17.386 1.00 75.04 C ATOM 502 CE LYS A 31 1.688 -12.733 -16.285 1.00 52.20 C ATOM 503 NZ LYS A 31 0.859 -13.936 -16.013 1.00 55.40 N ATOM 0 H LYS A 31 2.267 -7.836 -14.666 1.00 75.25 H new ATOM 0 HA LYS A 31 3.892 -8.739 -16.960 1.00 75.22 H new ATOM 0 HB2 LYS A 31 2.292 -10.208 -15.546 1.00 74.40 H new ATOM 0 HB3 LYS A 31 0.973 -9.262 -16.207 1.00 74.40 H new ATOM 0 HG2 LYS A 31 1.506 -10.014 -18.486 1.00 2.13 H new ATOM 0 HG3 LYS A 31 2.940 -10.844 -17.918 1.00 2.13 H new ATOM 0 HD2 LYS A 31 0.073 -11.550 -17.103 1.00 75.04 H new ATOM 0 HD3 LYS A 31 1.009 -12.406 -18.312 1.00 75.04 H new ATOM 0 HE2 LYS A 31 2.689 -13.045 -16.583 1.00 52.20 H new ATOM 0 HE3 LYS A 31 1.794 -12.154 -15.367 1.00 52.20 H new ATOM 0 HZ1 LYS A 31 1.307 -14.505 -15.266 1.00 55.40 H new ATOM 0 HZ2 LYS A 31 -0.089 -13.641 -15.702 1.00 55.40 H new ATOM 0 HZ3 LYS A 31 0.778 -14.505 -16.880 1.00 55.40 H new ATOM 517 N ASN A 32 1.623 -6.364 -17.097 1.00 13.41 N ATOM 518 CA ASN A 32 0.992 -5.289 -17.923 1.00 3.00 C ATOM 519 C ASN A 32 1.371 -3.881 -17.352 1.00 53.40 C ATOM 520 O ASN A 32 0.555 -3.235 -16.678 1.00 53.34 O ATOM 521 CB ASN A 32 -0.556 -5.486 -17.959 1.00 3.15 C ATOM 522 CG ASN A 32 -0.977 -6.869 -18.472 1.00 20.45 C ATOM 523 OD1 ASN A 32 -1.154 -7.079 -19.664 1.00 71.10 O ATOM 524 ND2 ASN A 32 -1.127 -7.831 -17.581 1.00 13.31 N ATOM 0 H ASN A 32 1.428 -6.268 -16.100 1.00 13.41 H new ATOM 0 HA ASN A 32 1.367 -5.351 -18.945 1.00 3.00 H new ATOM 0 HB2 ASN A 32 -0.958 -5.340 -16.956 1.00 3.15 H new ATOM 0 HB3 ASN A 32 -0.999 -4.719 -18.595 1.00 3.15 H new ATOM 0 HD21 ASN A 32 -1.395 -8.768 -17.882 1.00 13.31 H new ATOM 0 HD22 ASN A 32 -0.975 -7.637 -16.591 1.00 13.31 H new ATOM 531 N PRO A 33 2.642 -3.384 -17.597 1.00 11.34 N ATOM 532 CA PRO A 33 3.219 -2.192 -16.897 1.00 54.32 C ATOM 533 C PRO A 33 2.794 -0.820 -17.490 1.00 41.30 C ATOM 534 O PRO A 33 3.622 0.095 -17.599 1.00 22.02 O ATOM 535 CB PRO A 33 4.769 -2.436 -17.025 1.00 2.42 C ATOM 536 CG PRO A 33 4.932 -3.722 -17.808 1.00 74.40 C ATOM 537 CD PRO A 33 3.633 -3.930 -18.550 1.00 21.31 C ATOM 0 HA PRO A 33 2.859 -2.117 -15.871 1.00 54.32 H new ATOM 0 HB2 PRO A 33 5.253 -1.604 -17.537 1.00 2.42 H new ATOM 0 HB3 PRO A 33 5.233 -2.518 -16.042 1.00 2.42 H new ATOM 0 HG2 PRO A 33 5.770 -3.652 -18.502 1.00 74.40 H new ATOM 0 HG3 PRO A 33 5.139 -4.560 -17.142 1.00 74.40 H new ATOM 0 HD2 PRO A 33 3.618 -3.400 -19.502 1.00 21.31 H new ATOM 0 HD3 PRO A 33 3.452 -4.982 -18.768 1.00 21.31 H new ATOM 545 N GLU A 34 1.499 -0.659 -17.822 1.00 63.33 N ATOM 546 CA GLU A 34 0.966 0.597 -18.421 1.00 4.24 C ATOM 547 C GLU A 34 -0.414 0.989 -17.871 1.00 45.10 C ATOM 548 O GLU A 34 -0.806 2.162 -17.988 1.00 63.04 O ATOM 549 CB GLU A 34 0.904 0.481 -19.982 1.00 54.43 C ATOM 550 CG GLU A 34 2.252 0.693 -20.692 1.00 61.45 C ATOM 551 CD GLU A 34 2.714 2.162 -20.690 1.00 2.20 C ATOM 552 OE1 GLU A 34 2.123 2.979 -21.433 1.00 32.02 O ATOM 553 OE2 GLU A 34 3.663 2.511 -19.952 1.00 73.03 O ATOM 0 H GLU A 34 0.793 -1.383 -17.688 1.00 63.33 H new ATOM 0 HA GLU A 34 1.660 1.389 -18.138 1.00 4.24 H new ATOM 0 HB2 GLU A 34 0.520 -0.505 -20.245 1.00 54.43 H new ATOM 0 HB3 GLU A 34 0.190 1.213 -20.360 1.00 54.43 H new ATOM 0 HG2 GLU A 34 3.011 0.079 -20.207 1.00 61.45 H new ATOM 0 HG3 GLU A 34 2.171 0.346 -21.722 1.00 61.45 H new ATOM 560 N ASP A 35 -1.173 0.024 -17.317 1.00 30.34 N ATOM 561 CA ASP A 35 -2.502 0.297 -16.733 1.00 72.35 C ATOM 562 C ASP A 35 -2.390 1.238 -15.504 1.00 3.23 C ATOM 563 O ASP A 35 -2.197 0.791 -14.365 1.00 52.21 O ATOM 564 CB ASP A 35 -3.225 -1.026 -16.381 1.00 51.32 C ATOM 565 CG ASP A 35 -3.563 -1.862 -17.626 1.00 42.41 C ATOM 566 OD1 ASP A 35 -2.691 -2.616 -18.107 1.00 65.53 O ATOM 567 OD2 ASP A 35 -4.696 -1.743 -18.144 1.00 72.41 O ATOM 0 H ASP A 35 -0.888 -0.954 -17.261 1.00 30.34 H new ATOM 0 HA ASP A 35 -3.105 0.815 -17.479 1.00 72.35 H new ATOM 0 HB2 ASP A 35 -2.595 -1.614 -15.713 1.00 51.32 H new ATOM 0 HB3 ASP A 35 -4.143 -0.801 -15.838 1.00 51.32 H new ATOM 572 N MET A 36 -2.471 2.555 -15.785 1.00 44.12 N ATOM 573 CA MET A 36 -2.451 3.614 -14.764 1.00 63.13 C ATOM 574 C MET A 36 -3.694 3.506 -13.860 1.00 31.54 C ATOM 575 O MET A 36 -3.654 3.888 -12.713 1.00 61.11 O ATOM 576 CB MET A 36 -2.393 5.010 -15.436 1.00 10.52 C ATOM 577 CG MET A 36 -1.265 5.234 -16.473 1.00 22.12 C ATOM 578 SD MET A 36 0.367 5.561 -15.759 1.00 71.44 S ATOM 579 CE MET A 36 0.947 3.945 -15.268 1.00 62.40 C ATOM 0 H MET A 36 -2.553 2.913 -16.737 1.00 44.12 H new ATOM 0 HA MET A 36 -1.560 3.488 -14.149 1.00 63.13 H new ATOM 0 HB2 MET A 36 -3.349 5.191 -15.928 1.00 10.52 H new ATOM 0 HB3 MET A 36 -2.290 5.761 -14.653 1.00 10.52 H new ATOM 0 HG2 MET A 36 -1.197 4.353 -17.111 1.00 22.12 H new ATOM 0 HG3 MET A 36 -1.540 6.072 -17.114 1.00 22.12 H new ATOM 0 HE1 MET A 36 1.456 4.018 -14.307 1.00 62.40 H new ATOM 0 HE2 MET A 36 0.099 3.266 -15.179 1.00 62.40 H new ATOM 0 HE3 MET A 36 1.640 3.564 -16.018 1.00 62.40 H new ATOM 589 N GLU A 37 -4.781 2.963 -14.433 1.00 32.31 N ATOM 590 CA GLU A 37 -6.050 2.637 -13.729 1.00 70.55 C ATOM 591 C GLU A 37 -5.822 1.686 -12.528 1.00 61.33 C ATOM 592 O GLU A 37 -6.415 1.871 -11.456 1.00 31.23 O ATOM 593 CB GLU A 37 -7.070 1.998 -14.725 1.00 0.55 C ATOM 594 CG GLU A 37 -7.664 2.965 -15.782 1.00 25.12 C ATOM 595 CD GLU A 37 -6.625 3.618 -16.713 1.00 12.43 C ATOM 596 OE1 GLU A 37 -5.851 2.883 -17.370 1.00 54.25 O ATOM 597 OE2 GLU A 37 -6.548 4.865 -16.769 1.00 63.40 O ATOM 0 H GLU A 37 -4.810 2.729 -15.425 1.00 32.31 H new ATOM 0 HA GLU A 37 -6.454 3.571 -13.339 1.00 70.55 H new ATOM 0 HB2 GLU A 37 -6.578 1.176 -15.245 1.00 0.55 H new ATOM 0 HB3 GLU A 37 -7.890 1.566 -14.151 1.00 0.55 H new ATOM 0 HG2 GLU A 37 -8.384 2.418 -16.391 1.00 25.12 H new ATOM 0 HG3 GLU A 37 -8.215 3.752 -15.266 1.00 25.12 H new ATOM 604 N TYR A 38 -4.962 0.668 -12.726 1.00 21.51 N ATOM 605 CA TYR A 38 -4.540 -0.245 -11.639 1.00 31.34 C ATOM 606 C TYR A 38 -3.746 0.529 -10.566 1.00 60.45 C ATOM 607 O TYR A 38 -4.000 0.380 -9.378 1.00 33.24 O ATOM 608 CB TYR A 38 -3.691 -1.423 -12.193 1.00 44.11 C ATOM 609 CG TYR A 38 -4.437 -2.434 -13.087 1.00 11.21 C ATOM 610 CD1 TYR A 38 -5.832 -2.404 -13.252 1.00 0.53 C ATOM 611 CD2 TYR A 38 -3.735 -3.430 -13.773 1.00 14.34 C ATOM 612 CE1 TYR A 38 -6.478 -3.319 -14.057 1.00 14.33 C ATOM 613 CE2 TYR A 38 -4.384 -4.343 -14.580 1.00 54.34 C ATOM 614 CZ TYR A 38 -5.753 -4.283 -14.719 1.00 45.15 C ATOM 615 OH TYR A 38 -6.402 -5.197 -15.525 1.00 64.03 O ATOM 0 H TYR A 38 -4.543 0.455 -13.631 1.00 21.51 H new ATOM 0 HA TYR A 38 -5.438 -0.662 -11.182 1.00 31.34 H new ATOM 0 HB2 TYR A 38 -2.860 -1.009 -12.763 1.00 44.11 H new ATOM 0 HB3 TYR A 38 -3.261 -1.963 -11.349 1.00 44.11 H new ATOM 0 HD1 TYR A 38 -6.410 -1.650 -12.738 1.00 0.53 H new ATOM 0 HD2 TYR A 38 -2.661 -3.486 -13.669 1.00 14.34 H new ATOM 0 HE1 TYR A 38 -7.552 -3.279 -14.168 1.00 14.33 H new ATOM 0 HE2 TYR A 38 -3.820 -5.102 -15.101 1.00 54.34 H new ATOM 0 HH TYR A 38 -6.354 -6.086 -15.116 1.00 64.03 H new ATOM 625 N TRP A 39 -2.813 1.388 -11.021 1.00 32.23 N ATOM 626 CA TRP A 39 -1.999 2.256 -10.135 1.00 22.30 C ATOM 627 C TRP A 39 -2.838 3.328 -9.394 1.00 54.12 C ATOM 628 O TRP A 39 -2.468 3.733 -8.295 1.00 22.24 O ATOM 629 CB TRP A 39 -0.849 2.934 -10.929 1.00 11.52 C ATOM 630 CG TRP A 39 0.269 1.998 -11.325 1.00 73.05 C ATOM 631 CD1 TRP A 39 0.700 1.724 -12.586 1.00 73.52 C ATOM 632 CD2 TRP A 39 1.093 1.204 -10.441 1.00 62.42 C ATOM 633 NE1 TRP A 39 1.744 0.847 -12.555 1.00 43.21 N ATOM 634 CE2 TRP A 39 1.991 0.489 -11.248 1.00 62.23 C ATOM 635 CE3 TRP A 39 1.150 1.025 -9.054 1.00 54.14 C ATOM 636 CZ2 TRP A 39 2.940 -0.387 -10.715 1.00 61.23 C ATOM 637 CZ3 TRP A 39 2.088 0.157 -8.525 1.00 63.43 C ATOM 638 CH2 TRP A 39 2.968 -0.544 -9.355 1.00 61.12 C ATOM 0 H TRP A 39 -2.599 1.503 -12.012 1.00 32.23 H new ATOM 0 HA TRP A 39 -1.577 1.600 -9.374 1.00 22.30 H new ATOM 0 HB2 TRP A 39 -1.263 3.388 -11.829 1.00 11.52 H new ATOM 0 HB3 TRP A 39 -0.434 3.742 -10.326 1.00 11.52 H new ATOM 0 HD1 TRP A 39 0.275 2.143 -13.486 1.00 73.52 H new ATOM 0 HE1 TRP A 39 2.259 0.510 -13.369 1.00 43.21 H new ATOM 0 HE3 TRP A 39 0.470 1.558 -8.405 1.00 54.14 H new ATOM 0 HZ2 TRP A 39 3.628 -0.922 -11.353 1.00 61.23 H new ATOM 0 HZ3 TRP A 39 2.141 0.019 -7.455 1.00 63.43 H new ATOM 0 HH2 TRP A 39 3.684 -1.223 -8.915 1.00 61.12 H new ATOM 649 N ASN A 40 -3.956 3.784 -9.998 1.00 40.13 N ATOM 650 CA ASN A 40 -4.884 4.754 -9.360 1.00 24.34 C ATOM 651 C ASN A 40 -5.535 4.112 -8.134 1.00 73.43 C ATOM 652 O ASN A 40 -5.604 4.713 -7.057 1.00 52.43 O ATOM 653 CB ASN A 40 -5.991 5.216 -10.346 1.00 32.11 C ATOM 654 CG ASN A 40 -5.457 5.987 -11.545 1.00 24.44 C ATOM 655 OD1 ASN A 40 -4.446 6.676 -11.465 1.00 14.11 O ATOM 656 ND2 ASN A 40 -6.132 5.881 -12.667 1.00 63.25 N ATOM 0 H ASN A 40 -4.243 3.496 -10.933 1.00 40.13 H new ATOM 0 HA ASN A 40 -4.304 5.628 -9.064 1.00 24.34 H new ATOM 0 HB2 ASN A 40 -6.537 4.342 -10.701 1.00 32.11 H new ATOM 0 HB3 ASN A 40 -6.704 5.842 -9.810 1.00 32.11 H new ATOM 0 HD21 ASN A 40 -5.818 6.379 -13.500 1.00 63.25 H new ATOM 0 HD22 ASN A 40 -6.970 5.301 -12.705 1.00 63.25 H new ATOM 663 N LYS A 41 -6.003 2.871 -8.338 1.00 41.43 N ATOM 664 CA LYS A 41 -6.531 2.016 -7.262 1.00 34.41 C ATOM 665 C LYS A 41 -5.471 1.755 -6.171 1.00 70.32 C ATOM 666 O LYS A 41 -5.717 2.044 -5.011 1.00 75.41 O ATOM 667 CB LYS A 41 -7.060 0.686 -7.836 1.00 5.02 C ATOM 668 CG LYS A 41 -8.352 0.830 -8.681 1.00 53.12 C ATOM 669 CD LYS A 41 -8.939 -0.539 -9.088 1.00 54.30 C ATOM 670 CE LYS A 41 -8.006 -1.340 -10.011 1.00 12.14 C ATOM 671 NZ LYS A 41 -8.357 -2.781 -10.029 1.00 60.32 N ATOM 0 H LYS A 41 -6.026 2.430 -9.257 1.00 41.43 H new ATOM 0 HA LYS A 41 -7.360 2.548 -6.795 1.00 34.41 H new ATOM 0 HB2 LYS A 41 -6.283 0.235 -8.454 1.00 5.02 H new ATOM 0 HB3 LYS A 41 -7.252 -0.002 -7.013 1.00 5.02 H new ATOM 0 HG2 LYS A 41 -9.096 1.388 -8.112 1.00 53.12 H new ATOM 0 HG3 LYS A 41 -8.135 1.411 -9.577 1.00 53.12 H new ATOM 0 HD2 LYS A 41 -9.142 -1.123 -8.190 1.00 54.30 H new ATOM 0 HD3 LYS A 41 -9.894 -0.384 -9.591 1.00 54.30 H new ATOM 0 HE2 LYS A 41 -8.063 -0.939 -11.023 1.00 12.14 H new ATOM 0 HE3 LYS A 41 -6.975 -1.221 -9.678 1.00 12.14 H new ATOM 0 HZ1 LYS A 41 -7.489 -3.351 -9.963 1.00 60.32 H new ATOM 0 HZ2 LYS A 41 -8.976 -2.998 -9.222 1.00 60.32 H new ATOM 0 HZ3 LYS A 41 -8.852 -3.007 -10.915 1.00 60.32 H new ATOM 685 N ILE A 42 -4.287 1.250 -6.558 1.00 61.43 N ATOM 686 CA ILE A 42 -3.156 0.986 -5.621 1.00 41.21 C ATOM 687 C ILE A 42 -2.782 2.254 -4.806 1.00 63.23 C ATOM 688 O ILE A 42 -2.484 2.172 -3.612 1.00 0.22 O ATOM 689 CB ILE A 42 -1.901 0.450 -6.413 1.00 63.43 C ATOM 690 CG1 ILE A 42 -2.234 -0.928 -7.074 1.00 70.34 C ATOM 691 CG2 ILE A 42 -0.626 0.348 -5.520 1.00 42.24 C ATOM 692 CD1 ILE A 42 -1.217 -1.423 -8.096 1.00 72.03 C ATOM 0 H ILE A 42 -4.077 1.010 -7.527 1.00 61.43 H new ATOM 0 HA ILE A 42 -3.481 0.222 -4.914 1.00 41.21 H new ATOM 0 HB ILE A 42 -1.672 1.176 -7.193 1.00 63.43 H new ATOM 0 HG12 ILE A 42 -2.328 -1.677 -6.287 1.00 70.34 H new ATOM 0 HG13 ILE A 42 -3.207 -0.853 -7.560 1.00 70.34 H new ATOM 0 HG21 ILE A 42 0.207 -0.026 -6.116 1.00 42.24 H new ATOM 0 HG22 ILE A 42 -0.377 1.334 -5.127 1.00 42.24 H new ATOM 0 HG23 ILE A 42 -0.815 -0.335 -4.692 1.00 42.24 H new ATOM 0 HD11 ILE A 42 -1.540 -2.385 -8.495 1.00 72.03 H new ATOM 0 HD12 ILE A 42 -1.138 -0.701 -8.909 1.00 72.03 H new ATOM 0 HD13 ILE A 42 -0.245 -1.537 -7.616 1.00 72.03 H new ATOM 704 N TYR A 43 -2.865 3.419 -5.463 1.00 2.10 N ATOM 705 CA TYR A 43 -2.558 4.720 -4.847 1.00 31.11 C ATOM 706 C TYR A 43 -3.595 5.086 -3.757 1.00 74.42 C ATOM 707 O TYR A 43 -3.210 5.464 -2.658 1.00 72.40 O ATOM 708 CB TYR A 43 -2.492 5.822 -5.930 1.00 74.13 C ATOM 709 CG TYR A 43 -1.984 7.180 -5.415 1.00 31.44 C ATOM 710 CD1 TYR A 43 -0.615 7.417 -5.257 1.00 63.44 C ATOM 711 CD2 TYR A 43 -2.865 8.218 -5.085 1.00 31.53 C ATOM 712 CE1 TYR A 43 -0.154 8.627 -4.790 1.00 32.33 C ATOM 713 CE2 TYR A 43 -2.398 9.426 -4.619 1.00 24.55 C ATOM 714 CZ TYR A 43 -1.046 9.625 -4.480 1.00 53.50 C ATOM 715 OH TYR A 43 -0.580 10.830 -4.020 1.00 43.00 O ATOM 0 H TYR A 43 -3.148 3.487 -6.441 1.00 2.10 H new ATOM 0 HA TYR A 43 -1.584 4.644 -4.363 1.00 31.11 H new ATOM 0 HB2 TYR A 43 -1.841 5.485 -6.737 1.00 74.13 H new ATOM 0 HB3 TYR A 43 -3.486 5.956 -6.357 1.00 74.13 H new ATOM 0 HD1 TYR A 43 0.091 6.639 -5.505 1.00 63.44 H new ATOM 0 HD2 TYR A 43 -3.929 8.068 -5.198 1.00 31.53 H new ATOM 0 HE1 TYR A 43 0.906 8.792 -4.668 1.00 32.33 H new ATOM 0 HE2 TYR A 43 -3.091 10.214 -4.364 1.00 24.55 H new ATOM 0 HH TYR A 43 0.349 10.953 -4.307 1.00 43.00 H new ATOM 725 N ARG A 44 -4.910 4.980 -4.077 1.00 41.03 N ATOM 726 CA ARG A 44 -6.005 5.266 -3.103 1.00 3.23 C ATOM 727 C ARG A 44 -6.120 4.183 -1.990 1.00 12.51 C ATOM 728 O ARG A 44 -6.606 4.470 -0.898 1.00 30.52 O ATOM 729 CB ARG A 44 -7.373 5.555 -3.816 1.00 64.11 C ATOM 730 CG ARG A 44 -7.905 4.488 -4.815 1.00 63.43 C ATOM 731 CD ARG A 44 -8.581 3.265 -4.159 1.00 32.14 C ATOM 732 NE ARG A 44 -9.784 3.634 -3.398 1.00 5.01 N ATOM 733 CZ ARG A 44 -10.482 2.826 -2.630 1.00 13.33 C ATOM 734 NH1 ARG A 44 -10.148 1.583 -2.483 1.00 50.33 N ATOM 735 NH2 ARG A 44 -11.518 3.275 -2.005 1.00 13.32 N ATOM 0 H ARG A 44 -5.242 4.699 -5.000 1.00 41.03 H new ATOM 0 HA ARG A 44 -5.727 6.187 -2.590 1.00 3.23 H new ATOM 0 HB2 ARG A 44 -8.130 5.700 -3.045 1.00 64.11 H new ATOM 0 HB3 ARG A 44 -7.279 6.500 -4.352 1.00 64.11 H new ATOM 0 HG2 ARG A 44 -8.620 4.964 -5.486 1.00 63.43 H new ATOM 0 HG3 ARG A 44 -7.074 4.140 -5.429 1.00 63.43 H new ATOM 0 HD2 ARG A 44 -8.849 2.543 -4.931 1.00 32.14 H new ATOM 0 HD3 ARG A 44 -7.871 2.773 -3.495 1.00 32.14 H new ATOM 0 HE ARG A 44 -10.105 4.599 -3.472 1.00 5.01 H new ATOM 0 HH11 ARG A 44 -9.330 1.214 -2.968 1.00 50.33 H new ATOM 0 HH12 ARG A 44 -10.703 0.973 -1.883 1.00 50.33 H new ATOM 0 HH21 ARG A 44 -11.792 4.252 -2.108 1.00 13.32 H new ATOM 0 HH22 ARG A 44 -12.063 2.653 -1.408 1.00 13.32 H new ATOM 749 N LEU A 45 -5.680 2.943 -2.285 1.00 42.53 N ATOM 750 CA LEU A 45 -5.599 1.841 -1.290 1.00 33.41 C ATOM 751 C LEU A 45 -4.505 2.145 -0.235 1.00 71.33 C ATOM 752 O LEU A 45 -4.740 2.041 0.969 1.00 2.22 O ATOM 753 CB LEU A 45 -5.299 0.490 -2.001 1.00 23.02 C ATOM 754 CG LEU A 45 -6.434 -0.084 -2.919 1.00 10.21 C ATOM 755 CD1 LEU A 45 -5.915 -1.223 -3.832 1.00 5.53 C ATOM 756 CD2 LEU A 45 -7.639 -0.553 -2.085 1.00 21.11 C ATOM 0 H LEU A 45 -5.370 2.672 -3.218 1.00 42.53 H new ATOM 0 HA LEU A 45 -6.561 1.762 -0.783 1.00 33.41 H new ATOM 0 HB2 LEU A 45 -4.401 0.615 -2.606 1.00 23.02 H new ATOM 0 HB3 LEU A 45 -5.068 -0.253 -1.238 1.00 23.02 H new ATOM 0 HG LEU A 45 -6.766 0.728 -3.567 1.00 10.21 H new ATOM 0 HD11 LEU A 45 -6.732 -1.593 -4.452 1.00 5.53 H new ATOM 0 HD12 LEU A 45 -5.118 -0.843 -4.471 1.00 5.53 H new ATOM 0 HD13 LEU A 45 -5.530 -2.036 -3.216 1.00 5.53 H new ATOM 0 HD21 LEU A 45 -8.410 -0.946 -2.748 1.00 21.11 H new ATOM 0 HD22 LEU A 45 -7.322 -1.334 -1.395 1.00 21.11 H new ATOM 0 HD23 LEU A 45 -8.041 0.289 -1.521 1.00 21.11 H new ATOM 768 N VAL A 46 -3.315 2.535 -0.723 1.00 43.14 N ATOM 769 CA VAL A 46 -2.164 2.948 0.118 1.00 20.04 C ATOM 770 C VAL A 46 -2.414 4.338 0.781 1.00 3.12 C ATOM 771 O VAL A 46 -1.905 4.615 1.869 1.00 62.00 O ATOM 772 CB VAL A 46 -0.832 2.928 -0.733 1.00 53.31 C ATOM 773 CG1 VAL A 46 0.368 3.546 0.025 1.00 31.34 C ATOM 774 CG2 VAL A 46 -0.505 1.476 -1.184 1.00 63.14 C ATOM 0 H VAL A 46 -3.117 2.575 -1.723 1.00 43.14 H new ATOM 0 HA VAL A 46 -2.053 2.231 0.931 1.00 20.04 H new ATOM 0 HB VAL A 46 -1.002 3.550 -1.612 1.00 53.31 H new ATOM 0 HG11 VAL A 46 1.256 3.506 -0.606 1.00 31.34 H new ATOM 0 HG12 VAL A 46 0.146 4.584 0.274 1.00 31.34 H new ATOM 0 HG13 VAL A 46 0.548 2.984 0.941 1.00 31.34 H new ATOM 0 HG21 VAL A 46 0.415 1.475 -1.769 1.00 63.14 H new ATOM 0 HG22 VAL A 46 -0.377 0.842 -0.306 1.00 63.14 H new ATOM 0 HG23 VAL A 46 -1.323 1.091 -1.793 1.00 63.14 H new ATOM 784 N HIS A 47 -3.232 5.182 0.120 1.00 61.52 N ATOM 785 CA HIS A 47 -3.730 6.470 0.686 1.00 22.14 C ATOM 786 C HIS A 47 -4.611 6.192 1.920 1.00 33.00 C ATOM 787 O HIS A 47 -4.550 6.913 2.922 1.00 15.54 O ATOM 788 CB HIS A 47 -4.549 7.237 -0.390 1.00 64.12 C ATOM 789 CG HIS A 47 -5.049 8.614 -0.004 1.00 52.52 C ATOM 790 ND1 HIS A 47 -6.045 8.833 0.928 1.00 42.22 N ATOM 791 CD2 HIS A 47 -4.708 9.844 -0.464 1.00 73.43 C ATOM 792 CE1 HIS A 47 -6.290 10.122 1.019 1.00 4.15 C ATOM 793 NE2 HIS A 47 -5.493 10.758 0.188 1.00 13.25 N ATOM 0 H HIS A 47 -3.571 4.997 -0.824 1.00 61.52 H new ATOM 0 HA HIS A 47 -2.880 7.082 0.987 1.00 22.14 H new ATOM 0 HB2 HIS A 47 -3.931 7.336 -1.283 1.00 64.12 H new ATOM 0 HB3 HIS A 47 -5.409 6.626 -0.664 1.00 64.12 H new ATOM 0 HD1 HIS A 47 -6.518 8.106 1.464 1.00 42.22 H new ATOM 0 HD2 HIS A 47 -3.956 10.062 -1.208 1.00 73.43 H new ATOM 0 HE1 HIS A 47 -7.022 10.581 1.667 1.00 4.15 H new ATOM 802 N THR A 48 -5.437 5.128 1.812 1.00 35.41 N ATOM 803 CA THR A 48 -6.280 4.650 2.922 1.00 30.35 C ATOM 804 C THR A 48 -5.390 4.088 4.062 1.00 15.11 C ATOM 805 O THR A 48 -5.605 4.417 5.217 1.00 55.21 O ATOM 806 CB THR A 48 -7.321 3.573 2.447 1.00 75.34 C ATOM 807 OG1 THR A 48 -8.119 4.099 1.371 1.00 41.35 O ATOM 808 CG2 THR A 48 -8.265 3.113 3.578 1.00 61.14 C ATOM 0 H THR A 48 -5.535 4.581 0.956 1.00 35.41 H new ATOM 0 HA THR A 48 -6.848 5.500 3.299 1.00 30.35 H new ATOM 0 HB THR A 48 -6.743 2.710 2.117 1.00 75.34 H new ATOM 0 HG1 THR A 48 -7.577 4.148 0.556 1.00 41.35 H new ATOM 0 HG21 THR A 48 -8.962 2.369 3.191 1.00 61.14 H new ATOM 0 HG22 THR A 48 -7.679 2.675 4.386 1.00 61.14 H new ATOM 0 HG23 THR A 48 -8.822 3.969 3.957 1.00 61.14 H new ATOM 816 N MET A 49 -4.357 3.291 3.712 1.00 21.45 N ATOM 817 CA MET A 49 -3.370 2.750 4.697 1.00 12.41 C ATOM 818 C MET A 49 -2.638 3.875 5.462 1.00 32.24 C ATOM 819 O MET A 49 -2.415 3.775 6.674 1.00 54.15 O ATOM 820 CB MET A 49 -2.311 1.867 3.983 1.00 71.43 C ATOM 821 CG MET A 49 -2.882 0.648 3.280 1.00 52.21 C ATOM 822 SD MET A 49 -1.638 -0.304 2.396 1.00 14.34 S ATOM 823 CE MET A 49 -2.666 -1.579 1.675 1.00 52.43 C ATOM 0 H MET A 49 -4.177 3.002 2.751 1.00 21.45 H new ATOM 0 HA MET A 49 -3.938 2.153 5.411 1.00 12.41 H new ATOM 0 HB2 MET A 49 -1.780 2.477 3.252 1.00 71.43 H new ATOM 0 HB3 MET A 49 -1.576 1.537 4.717 1.00 71.43 H new ATOM 0 HG2 MET A 49 -3.367 0.006 4.015 1.00 52.21 H new ATOM 0 HG3 MET A 49 -3.652 0.968 2.578 1.00 52.21 H new ATOM 0 HE1 MET A 49 -2.079 -2.162 0.965 1.00 52.43 H new ATOM 0 HE2 MET A 49 -3.039 -2.234 2.462 1.00 52.43 H new ATOM 0 HE3 MET A 49 -3.508 -1.118 1.158 1.00 52.43 H new ATOM 833 N LYS A 50 -2.278 4.933 4.717 1.00 63.42 N ATOM 834 CA LYS A 50 -1.569 6.111 5.243 1.00 15.51 C ATOM 835 C LYS A 50 -2.425 6.838 6.304 1.00 60.55 C ATOM 836 O LYS A 50 -2.002 6.988 7.447 1.00 1.14 O ATOM 837 CB LYS A 50 -1.226 7.064 4.064 1.00 41.11 C ATOM 838 CG LYS A 50 -0.427 8.336 4.441 1.00 40.01 C ATOM 839 CD LYS A 50 -0.139 9.241 3.215 1.00 70.44 C ATOM 840 CE LYS A 50 0.497 10.594 3.594 1.00 61.34 C ATOM 841 NZ LYS A 50 -0.390 11.418 4.461 1.00 43.20 N ATOM 0 H LYS A 50 -2.474 4.995 3.718 1.00 63.42 H new ATOM 0 HA LYS A 50 -0.647 5.790 5.728 1.00 15.51 H new ATOM 0 HB2 LYS A 50 -0.655 6.505 3.323 1.00 41.11 H new ATOM 0 HB3 LYS A 50 -2.156 7.370 3.585 1.00 41.11 H new ATOM 0 HG2 LYS A 50 -0.985 8.904 5.185 1.00 40.01 H new ATOM 0 HG3 LYS A 50 0.516 8.045 4.903 1.00 40.01 H new ATOM 0 HD2 LYS A 50 0.525 8.714 2.531 1.00 70.44 H new ATOM 0 HD3 LYS A 50 -1.070 9.422 2.679 1.00 70.44 H new ATOM 0 HE2 LYS A 50 1.441 10.416 4.110 1.00 61.34 H new ATOM 0 HE3 LYS A 50 0.730 11.150 2.686 1.00 61.34 H new ATOM 0 HZ1 LYS A 50 -0.384 12.403 4.127 1.00 43.20 H new ATOM 0 HZ2 LYS A 50 -1.360 11.044 4.420 1.00 43.20 H new ATOM 0 HZ3 LYS A 50 -0.046 11.383 5.442 1.00 43.20 H new ATOM 855 N GLU A 51 -3.663 7.210 5.926 1.00 51.33 N ATOM 856 CA GLU A 51 -4.602 7.926 6.828 1.00 71.34 C ATOM 857 C GLU A 51 -5.041 7.046 8.037 1.00 2.12 C ATOM 858 O GLU A 51 -5.298 7.573 9.125 1.00 24.14 O ATOM 859 CB GLU A 51 -5.833 8.457 6.036 1.00 14.11 C ATOM 860 CG GLU A 51 -6.763 7.369 5.470 1.00 64.34 C ATOM 861 CD GLU A 51 -7.867 7.914 4.549 1.00 63.12 C ATOM 862 OE1 GLU A 51 -7.615 8.067 3.333 1.00 14.03 O ATOM 863 OE2 GLU A 51 -8.981 8.200 5.036 1.00 40.33 O ATOM 0 H GLU A 51 -4.043 7.028 4.997 1.00 51.33 H new ATOM 0 HA GLU A 51 -4.068 8.782 7.240 1.00 71.34 H new ATOM 0 HB2 GLU A 51 -6.415 9.106 6.691 1.00 14.11 H new ATOM 0 HB3 GLU A 51 -5.476 9.074 5.211 1.00 14.11 H new ATOM 0 HG2 GLU A 51 -6.165 6.645 4.916 1.00 64.34 H new ATOM 0 HG3 GLU A 51 -7.226 6.833 6.298 1.00 64.34 H new ATOM 870 N ILE A 52 -5.107 5.707 7.833 1.00 63.33 N ATOM 871 CA ILE A 52 -5.381 4.725 8.916 1.00 73.22 C ATOM 872 C ILE A 52 -4.288 4.790 10.011 1.00 10.51 C ATOM 873 O ILE A 52 -4.592 5.038 11.177 1.00 4.11 O ATOM 874 CB ILE A 52 -5.515 3.245 8.348 1.00 21.01 C ATOM 875 CG1 ILE A 52 -6.890 3.055 7.616 1.00 31.23 C ATOM 876 CG2 ILE A 52 -5.316 2.153 9.443 1.00 22.12 C ATOM 877 CD1 ILE A 52 -7.022 1.757 6.830 1.00 35.35 C ATOM 0 H ILE A 52 -4.973 5.277 6.918 1.00 63.33 H new ATOM 0 HA ILE A 52 -6.337 4.996 9.364 1.00 73.22 H new ATOM 0 HB ILE A 52 -4.708 3.113 7.628 1.00 21.01 H new ATOM 0 HG12 ILE A 52 -7.689 3.098 8.357 1.00 31.23 H new ATOM 0 HG13 ILE A 52 -7.042 3.893 6.935 1.00 31.23 H new ATOM 0 HG21 ILE A 52 -5.419 1.165 8.994 1.00 22.12 H new ATOM 0 HG22 ILE A 52 -4.322 2.252 9.879 1.00 22.12 H new ATOM 0 HG23 ILE A 52 -6.068 2.278 10.222 1.00 22.12 H new ATOM 0 HD11 ILE A 52 -8.004 1.715 6.359 1.00 35.35 H new ATOM 0 HD12 ILE A 52 -6.250 1.717 6.062 1.00 35.35 H new ATOM 0 HD13 ILE A 52 -6.907 0.909 7.505 1.00 35.35 H new ATOM 889 N THR A 53 -3.017 4.588 9.624 1.00 51.24 N ATOM 890 CA THR A 53 -1.895 4.586 10.589 1.00 22.33 C ATOM 891 C THR A 53 -1.658 5.992 11.204 1.00 43.14 C ATOM 892 O THR A 53 -1.206 6.097 12.341 1.00 64.50 O ATOM 893 CB THR A 53 -0.572 4.016 9.975 1.00 44.13 C ATOM 894 OG1 THR A 53 0.449 3.999 10.955 1.00 33.53 O ATOM 895 CG2 THR A 53 -0.081 4.797 8.750 1.00 33.25 C ATOM 0 H THR A 53 -2.738 4.425 8.657 1.00 51.24 H new ATOM 0 HA THR A 53 -2.192 3.913 11.393 1.00 22.33 H new ATOM 0 HB THR A 53 -0.803 3.005 9.640 1.00 44.13 H new ATOM 0 HG1 THR A 53 0.937 4.849 10.934 1.00 33.53 H new ATOM 0 HG21 THR A 53 0.839 4.347 8.377 1.00 33.25 H new ATOM 0 HG22 THR A 53 -0.842 4.767 7.970 1.00 33.25 H new ATOM 0 HG23 THR A 53 0.110 5.833 9.031 1.00 33.25 H new ATOM 903 N GLU A 54 -1.996 7.063 10.455 1.00 74.53 N ATOM 904 CA GLU A 54 -1.898 8.462 10.950 1.00 21.34 C ATOM 905 C GLU A 54 -2.982 8.788 12.015 1.00 4.23 C ATOM 906 O GLU A 54 -2.720 9.565 12.939 1.00 12.42 O ATOM 907 CB GLU A 54 -1.970 9.471 9.773 1.00 44.44 C ATOM 908 CG GLU A 54 -0.748 9.435 8.834 1.00 4.21 C ATOM 909 CD GLU A 54 -0.858 10.386 7.625 1.00 34.15 C ATOM 910 OE1 GLU A 54 -1.867 10.305 6.886 1.00 24.14 O ATOM 911 OE2 GLU A 54 0.058 11.206 7.397 1.00 60.14 O ATOM 0 H GLU A 54 -2.342 6.989 9.498 1.00 74.53 H new ATOM 0 HA GLU A 54 -0.927 8.559 11.437 1.00 21.34 H new ATOM 0 HB2 GLU A 54 -2.868 9.268 9.190 1.00 44.44 H new ATOM 0 HB3 GLU A 54 -2.073 10.478 10.178 1.00 44.44 H new ATOM 0 HG2 GLU A 54 0.144 9.692 9.405 1.00 4.21 H new ATOM 0 HG3 GLU A 54 -0.612 8.416 8.471 1.00 4.21 H new ATOM 918 N THR A 55 -4.202 8.207 11.884 1.00 54.15 N ATOM 919 CA THR A 55 -5.266 8.361 12.923 1.00 62.33 C ATOM 920 C THR A 55 -5.041 7.382 14.109 1.00 54.52 C ATOM 921 O THR A 55 -5.556 7.601 15.210 1.00 74.22 O ATOM 922 CB THR A 55 -6.733 8.221 12.352 1.00 74.13 C ATOM 923 OG1 THR A 55 -7.693 8.605 13.357 1.00 70.31 O ATOM 924 CG2 THR A 55 -7.074 6.801 11.863 1.00 14.21 C ATOM 0 H THR A 55 -4.476 7.636 11.085 1.00 54.15 H new ATOM 0 HA THR A 55 -5.177 9.384 13.288 1.00 62.33 H new ATOM 0 HB THR A 55 -6.781 8.883 11.487 1.00 74.13 H new ATOM 0 HG1 THR A 55 -7.306 8.472 14.247 1.00 70.31 H new ATOM 0 HG21 THR A 55 -8.096 6.782 11.485 1.00 14.21 H new ATOM 0 HG22 THR A 55 -6.387 6.516 11.066 1.00 14.21 H new ATOM 0 HG23 THR A 55 -6.980 6.099 12.691 1.00 14.21 H new ATOM 932 N MET A 56 -4.273 6.296 13.866 1.00 42.31 N ATOM 933 CA MET A 56 -3.794 5.375 14.935 1.00 14.31 C ATOM 934 C MET A 56 -2.558 5.968 15.678 1.00 74.31 C ATOM 935 O MET A 56 -2.162 5.469 16.736 1.00 2.44 O ATOM 936 CB MET A 56 -3.471 3.977 14.322 1.00 25.23 C ATOM 937 CG MET A 56 -4.707 3.237 13.767 1.00 4.42 C ATOM 938 SD MET A 56 -4.292 1.783 12.769 1.00 43.44 S ATOM 939 CE MET A 56 -3.555 0.677 13.968 1.00 14.11 C ATOM 0 H MET A 56 -3.966 6.030 12.930 1.00 42.31 H new ATOM 0 HA MET A 56 -4.586 5.255 15.675 1.00 14.31 H new ATOM 0 HB2 MET A 56 -2.744 4.102 13.520 1.00 25.23 H new ATOM 0 HB3 MET A 56 -3.000 3.357 15.085 1.00 25.23 H new ATOM 0 HG2 MET A 56 -5.339 2.928 14.599 1.00 4.42 H new ATOM 0 HG3 MET A 56 -5.293 3.928 13.161 1.00 4.42 H new ATOM 0 HE1 MET A 56 -3.260 -0.249 13.475 1.00 14.11 H new ATOM 0 HE2 MET A 56 -2.677 1.150 14.408 1.00 14.11 H new ATOM 0 HE3 MET A 56 -4.279 0.456 14.752 1.00 14.11 H new ATOM 949 N GLY A 57 -1.959 7.034 15.098 1.00 75.24 N ATOM 950 CA GLY A 57 -0.865 7.794 15.742 1.00 13.22 C ATOM 951 C GLY A 57 0.547 7.308 15.393 1.00 21.52 C ATOM 952 O GLY A 57 1.529 7.766 15.981 1.00 73.14 O ATOM 0 H GLY A 57 -2.219 7.388 14.178 1.00 75.24 H new ATOM 0 HA2 GLY A 57 -0.954 8.843 15.458 1.00 13.22 H new ATOM 0 HA3 GLY A 57 -0.994 7.744 16.823 1.00 13.22 H new ATOM 956 N PHE A 58 0.642 6.362 14.450 1.00 53.21 N ATOM 957 CA PHE A 58 1.914 5.785 13.976 1.00 13.30 C ATOM 958 C PHE A 58 2.427 6.510 12.703 1.00 44.32 C ATOM 959 O PHE A 58 2.257 6.028 11.577 1.00 61.33 O ATOM 960 CB PHE A 58 1.700 4.267 13.724 1.00 4.21 C ATOM 961 CG PHE A 58 1.457 3.449 14.995 1.00 4.23 C ATOM 962 CD1 PHE A 58 2.521 2.893 15.709 1.00 31.32 C ATOM 963 CD2 PHE A 58 0.163 3.248 15.485 1.00 44.02 C ATOM 964 CE1 PHE A 58 2.298 2.173 16.872 1.00 44.21 C ATOM 965 CE2 PHE A 58 -0.057 2.532 16.648 1.00 72.44 C ATOM 966 CZ PHE A 58 1.009 1.989 17.338 1.00 65.45 C ATOM 0 H PHE A 58 -0.175 5.967 13.985 1.00 53.21 H new ATOM 0 HA PHE A 58 2.684 5.922 14.736 1.00 13.30 H new ATOM 0 HB2 PHE A 58 0.850 4.137 13.054 1.00 4.21 H new ATOM 0 HB3 PHE A 58 2.575 3.868 13.210 1.00 4.21 H new ATOM 0 HD1 PHE A 58 3.531 3.026 15.350 1.00 31.32 H new ATOM 0 HD2 PHE A 58 -0.679 3.658 14.947 1.00 44.02 H new ATOM 0 HE1 PHE A 58 3.132 1.755 17.415 1.00 44.21 H new ATOM 0 HE2 PHE A 58 -1.063 2.398 17.017 1.00 72.44 H new ATOM 0 HZ PHE A 58 0.836 1.421 18.240 1.00 65.45 H new ATOM 976 N SER A 59 3.064 7.681 12.886 1.00 13.14 N ATOM 977 CA SER A 59 3.670 8.447 11.760 1.00 53.23 C ATOM 978 C SER A 59 4.890 7.702 11.169 1.00 73.44 C ATOM 979 O SER A 59 5.242 7.903 10.004 1.00 14.13 O ATOM 980 CB SER A 59 4.083 9.864 12.218 1.00 10.32 C ATOM 981 OG SER A 59 5.054 9.813 13.253 1.00 61.01 O ATOM 0 H SER A 59 3.177 8.124 13.798 1.00 13.14 H new ATOM 0 HA SER A 59 2.914 8.539 10.980 1.00 53.23 H new ATOM 0 HB2 SER A 59 4.482 10.420 11.370 1.00 10.32 H new ATOM 0 HB3 SER A 59 3.204 10.405 12.568 1.00 10.32 H new ATOM 0 HG SER A 59 5.296 10.724 13.520 1.00 61.01 H new ATOM 987 N SER A 60 5.515 6.844 12.002 1.00 14.34 N ATOM 988 CA SER A 60 6.636 5.960 11.601 1.00 44.21 C ATOM 989 C SER A 60 6.230 4.984 10.467 1.00 75.10 C ATOM 990 O SER A 60 6.982 4.784 9.505 1.00 50.11 O ATOM 991 CB SER A 60 7.128 5.151 12.826 1.00 12.00 C ATOM 992 OG SER A 60 7.475 6.006 13.905 1.00 24.35 O ATOM 0 H SER A 60 5.255 6.742 12.983 1.00 14.34 H new ATOM 0 HA SER A 60 7.437 6.596 11.223 1.00 44.21 H new ATOM 0 HB2 SER A 60 6.348 4.459 13.144 1.00 12.00 H new ATOM 0 HB3 SER A 60 7.992 4.550 12.544 1.00 12.00 H new ATOM 0 HG SER A 60 7.780 5.467 14.664 1.00 24.35 H new ATOM 998 N VAL A 61 5.031 4.381 10.600 1.00 21.04 N ATOM 999 CA VAL A 61 4.475 3.453 9.584 1.00 53.15 C ATOM 1000 C VAL A 61 4.034 4.240 8.324 1.00 74.31 C ATOM 1001 O VAL A 61 4.240 3.786 7.196 1.00 11.42 O ATOM 1002 CB VAL A 61 3.256 2.628 10.151 1.00 30.04 C ATOM 1003 CG1 VAL A 61 2.721 1.596 9.121 1.00 11.55 C ATOM 1004 CG2 VAL A 61 3.610 1.943 11.495 1.00 33.14 C ATOM 0 H VAL A 61 4.422 4.519 11.407 1.00 21.04 H new ATOM 0 HA VAL A 61 5.263 2.749 9.317 1.00 53.15 H new ATOM 0 HB VAL A 61 2.454 3.341 10.341 1.00 30.04 H new ATOM 0 HG11 VAL A 61 1.882 1.051 9.554 1.00 11.55 H new ATOM 0 HG12 VAL A 61 2.390 2.117 8.222 1.00 11.55 H new ATOM 0 HG13 VAL A 61 3.515 0.895 8.863 1.00 11.55 H new ATOM 0 HG21 VAL A 61 2.747 1.383 11.857 1.00 33.14 H new ATOM 0 HG22 VAL A 61 4.448 1.262 11.347 1.00 33.14 H new ATOM 0 HG23 VAL A 61 3.884 2.701 12.229 1.00 33.14 H new ATOM 1014 N ALA A 62 3.450 5.439 8.542 1.00 51.43 N ATOM 1015 CA ALA A 62 3.020 6.349 7.449 1.00 44.31 C ATOM 1016 C ALA A 62 4.187 6.725 6.505 1.00 15.44 C ATOM 1017 O ALA A 62 3.977 6.857 5.303 1.00 11.44 O ATOM 1018 CB ALA A 62 2.376 7.615 8.027 1.00 21.12 C ATOM 0 H ALA A 62 3.263 5.805 9.475 1.00 51.43 H new ATOM 0 HA ALA A 62 2.282 5.810 6.855 1.00 44.31 H new ATOM 0 HB1 ALA A 62 2.067 8.270 7.213 1.00 21.12 H new ATOM 0 HB2 ALA A 62 1.505 7.341 8.623 1.00 21.12 H new ATOM 0 HB3 ALA A 62 3.097 8.135 8.657 1.00 21.12 H new ATOM 1024 N LYS A 63 5.404 6.883 7.075 1.00 12.42 N ATOM 1025 CA LYS A 63 6.659 7.132 6.301 1.00 14.12 C ATOM 1026 C LYS A 63 6.949 6.008 5.274 1.00 34.21 C ATOM 1027 O LYS A 63 7.450 6.270 4.174 1.00 14.34 O ATOM 1028 CB LYS A 63 7.870 7.272 7.270 1.00 70.55 C ATOM 1029 CG LYS A 63 7.838 8.530 8.164 1.00 1.55 C ATOM 1030 CD LYS A 63 8.972 8.561 9.220 1.00 31.11 C ATOM 1031 CE LYS A 63 10.385 8.582 8.601 1.00 62.12 C ATOM 1032 NZ LYS A 63 10.615 9.773 7.741 1.00 20.14 N ATOM 0 H LYS A 63 5.552 6.843 8.083 1.00 12.42 H new ATOM 0 HA LYS A 63 6.514 8.060 5.749 1.00 14.12 H new ATOM 0 HB2 LYS A 63 7.911 6.390 7.909 1.00 70.55 H new ATOM 0 HB3 LYS A 63 8.788 7.283 6.683 1.00 70.55 H new ATOM 0 HG2 LYS A 63 7.913 9.417 7.534 1.00 1.55 H new ATOM 0 HG3 LYS A 63 6.876 8.581 8.673 1.00 1.55 H new ATOM 0 HD2 LYS A 63 8.847 9.441 9.851 1.00 31.11 H new ATOM 0 HD3 LYS A 63 8.880 7.689 9.867 1.00 31.11 H new ATOM 0 HE2 LYS A 63 11.127 8.566 9.399 1.00 62.12 H new ATOM 0 HE3 LYS A 63 10.532 7.678 8.010 1.00 62.12 H new ATOM 0 HZ1 LYS A 63 11.599 9.774 7.405 1.00 20.14 H new ATOM 0 HZ2 LYS A 63 9.971 9.742 6.925 1.00 20.14 H new ATOM 0 HZ3 LYS A 63 10.436 10.638 8.290 1.00 20.14 H new ATOM 1046 N VAL A 64 6.642 4.758 5.661 1.00 51.23 N ATOM 1047 CA VAL A 64 6.833 3.573 4.797 1.00 43.31 C ATOM 1048 C VAL A 64 5.829 3.594 3.612 1.00 73.13 C ATOM 1049 O VAL A 64 6.226 3.461 2.459 1.00 70.10 O ATOM 1050 CB VAL A 64 6.692 2.231 5.616 1.00 61.22 C ATOM 1051 CG1 VAL A 64 6.960 0.982 4.735 1.00 33.31 C ATOM 1052 CG2 VAL A 64 7.615 2.241 6.868 1.00 34.24 C ATOM 0 H VAL A 64 6.255 4.538 6.579 1.00 51.23 H new ATOM 0 HA VAL A 64 7.847 3.614 4.398 1.00 43.31 H new ATOM 0 HB VAL A 64 5.658 2.169 5.956 1.00 61.22 H new ATOM 0 HG11 VAL A 64 6.852 0.081 5.339 1.00 33.31 H new ATOM 0 HG12 VAL A 64 6.244 0.956 3.913 1.00 33.31 H new ATOM 0 HG13 VAL A 64 7.972 1.031 4.333 1.00 33.31 H new ATOM 0 HG21 VAL A 64 7.498 1.305 7.414 1.00 34.24 H new ATOM 0 HG22 VAL A 64 8.653 2.351 6.554 1.00 34.24 H new ATOM 0 HG23 VAL A 64 7.342 3.075 7.515 1.00 34.24 H new ATOM 1062 N LEU A 65 4.537 3.816 3.917 1.00 5.40 N ATOM 1063 CA LEU A 65 3.449 3.894 2.892 1.00 11.32 C ATOM 1064 C LEU A 65 3.606 5.135 1.981 1.00 22.22 C ATOM 1065 O LEU A 65 3.232 5.110 0.803 1.00 63.14 O ATOM 1066 CB LEU A 65 2.038 3.897 3.568 1.00 42.43 C ATOM 1067 CG LEU A 65 1.534 2.535 4.151 1.00 14.23 C ATOM 1068 CD1 LEU A 65 1.399 1.467 3.044 1.00 43.12 C ATOM 1069 CD2 LEU A 65 2.437 2.041 5.292 1.00 62.22 C ATOM 0 H LEU A 65 4.206 3.947 4.873 1.00 5.40 H new ATOM 0 HA LEU A 65 3.536 3.005 2.267 1.00 11.32 H new ATOM 0 HB2 LEU A 65 2.049 4.629 4.375 1.00 42.43 H new ATOM 0 HB3 LEU A 65 1.310 4.243 2.834 1.00 42.43 H new ATOM 0 HG LEU A 65 0.542 2.707 4.569 1.00 14.23 H new ATOM 0 HD11 LEU A 65 1.047 0.532 3.481 1.00 43.12 H new ATOM 0 HD12 LEU A 65 0.685 1.808 2.294 1.00 43.12 H new ATOM 0 HD13 LEU A 65 2.369 1.305 2.574 1.00 43.12 H new ATOM 0 HD21 LEU A 65 2.057 1.093 5.673 1.00 62.22 H new ATOM 0 HD22 LEU A 65 3.452 1.901 4.919 1.00 62.22 H new ATOM 0 HD23 LEU A 65 2.444 2.778 6.095 1.00 62.22 H new ATOM 1081 N HIS A 66 4.192 6.200 2.544 1.00 31.22 N ATOM 1082 CA HIS A 66 4.438 7.473 1.844 1.00 14.44 C ATOM 1083 C HIS A 66 5.421 7.287 0.653 1.00 25.40 C ATOM 1084 O HIS A 66 5.364 8.042 -0.332 1.00 12.14 O ATOM 1085 CB HIS A 66 4.954 8.526 2.853 1.00 34.54 C ATOM 1086 CG HIS A 66 5.048 9.930 2.319 1.00 73.33 C ATOM 1087 ND1 HIS A 66 6.168 10.423 1.693 1.00 52.22 N ATOM 1088 CD2 HIS A 66 4.145 10.941 2.310 1.00 31.25 C ATOM 1089 CE1 HIS A 66 5.957 11.665 1.326 1.00 31.51 C ATOM 1090 NE2 HIS A 66 4.739 12.006 1.685 1.00 65.04 N ATOM 0 H HIS A 66 4.514 6.204 3.512 1.00 31.22 H new ATOM 0 HA HIS A 66 3.499 7.829 1.419 1.00 14.44 H new ATOM 0 HB2 HIS A 66 4.295 8.528 3.721 1.00 34.54 H new ATOM 0 HB3 HIS A 66 5.940 8.220 3.202 1.00 34.54 H new ATOM 0 HD2 HIS A 66 3.146 10.912 2.718 1.00 31.25 H new ATOM 0 HE1 HIS A 66 6.665 12.300 0.815 1.00 31.51 H new ATOM 0 HE2 HIS A 66 4.306 12.916 1.524 1.00 65.04 H new ATOM 1099 N THR A 67 6.318 6.268 0.750 1.00 30.21 N ATOM 1100 CA THR A 67 7.295 5.969 -0.337 1.00 63.22 C ATOM 1101 C THR A 67 6.590 5.351 -1.561 1.00 62.22 C ATOM 1102 O THR A 67 6.961 5.649 -2.701 1.00 2.25 O ATOM 1103 CB THR A 67 8.471 5.025 0.104 1.00 43.50 C ATOM 1104 OG1 THR A 67 7.998 3.692 0.365 1.00 51.43 O ATOM 1105 CG2 THR A 67 9.198 5.562 1.347 1.00 15.31 C ATOM 0 H THR A 67 6.386 5.647 1.557 1.00 30.21 H new ATOM 0 HA THR A 67 7.733 6.933 -0.596 1.00 63.22 H new ATOM 0 HB THR A 67 9.178 4.998 -0.726 1.00 43.50 H new ATOM 0 HG1 THR A 67 7.318 3.718 1.070 1.00 51.43 H new ATOM 0 HG21 THR A 67 10.004 4.881 1.620 1.00 15.31 H new ATOM 0 HG22 THR A 67 9.613 6.546 1.129 1.00 15.31 H new ATOM 0 HG23 THR A 67 8.494 5.640 2.175 1.00 15.31 H new ATOM 1113 N ILE A 68 5.565 4.499 -1.311 1.00 0.42 N ATOM 1114 CA ILE A 68 4.722 3.912 -2.386 1.00 0.10 C ATOM 1115 C ILE A 68 3.914 5.029 -3.106 1.00 22.12 C ATOM 1116 O ILE A 68 3.778 5.008 -4.327 1.00 3.05 O ATOM 1117 CB ILE A 68 3.720 2.788 -1.868 1.00 2.52 C ATOM 1118 CG1 ILE A 68 4.465 1.545 -1.253 1.00 32.32 C ATOM 1119 CG2 ILE A 68 2.758 2.317 -2.991 1.00 3.30 C ATOM 1120 CD1 ILE A 68 4.970 1.724 0.163 1.00 4.11 C ATOM 0 H ILE A 68 5.301 4.202 -0.372 1.00 0.42 H new ATOM 0 HA ILE A 68 5.411 3.430 -3.079 1.00 0.10 H new ATOM 0 HB ILE A 68 3.138 3.255 -1.074 1.00 2.52 H new ATOM 0 HG12 ILE A 68 3.788 0.691 -1.274 1.00 32.32 H new ATOM 0 HG13 ILE A 68 5.311 1.297 -1.894 1.00 32.32 H new ATOM 0 HG21 ILE A 68 2.090 1.550 -2.600 1.00 3.30 H new ATOM 0 HG22 ILE A 68 2.170 3.164 -3.346 1.00 3.30 H new ATOM 0 HG23 ILE A 68 3.337 1.906 -3.818 1.00 3.30 H new ATOM 0 HD11 ILE A 68 5.467 0.811 0.490 1.00 4.11 H new ATOM 0 HD12 ILE A 68 5.677 2.553 0.195 1.00 4.11 H new ATOM 0 HD13 ILE A 68 4.130 1.937 0.824 1.00 4.11 H new ATOM 1132 N MET A 69 3.406 6.009 -2.328 1.00 34.13 N ATOM 1133 CA MET A 69 2.611 7.150 -2.867 1.00 33.40 C ATOM 1134 C MET A 69 3.414 7.951 -3.917 1.00 34.53 C ATOM 1135 O MET A 69 2.985 8.081 -5.061 1.00 40.15 O ATOM 1136 CB MET A 69 2.175 8.092 -1.708 1.00 25.02 C ATOM 1137 CG MET A 69 1.335 7.405 -0.627 1.00 23.04 C ATOM 1138 SD MET A 69 -0.403 7.192 -1.077 1.00 4.11 S ATOM 1139 CE MET A 69 -1.005 8.875 -0.966 1.00 3.20 C ATOM 0 H MET A 69 3.530 6.038 -1.316 1.00 34.13 H new ATOM 0 HA MET A 69 1.727 6.740 -3.356 1.00 33.40 H new ATOM 0 HB2 MET A 69 3.065 8.518 -1.245 1.00 25.02 H new ATOM 0 HB3 MET A 69 1.604 8.922 -2.124 1.00 25.02 H new ATOM 0 HG2 MET A 69 1.767 6.428 -0.411 1.00 23.04 H new ATOM 0 HG3 MET A 69 1.394 7.989 0.291 1.00 23.04 H new ATOM 0 HE1 MET A 69 -2.069 8.897 -1.200 1.00 3.20 H new ATOM 0 HE2 MET A 69 -0.848 9.252 0.045 1.00 3.20 H new ATOM 0 HE3 MET A 69 -0.465 9.502 -1.675 1.00 3.20 H new ATOM 1149 N ASN A 70 4.622 8.403 -3.522 1.00 15.41 N ATOM 1150 CA ASN A 70 5.539 9.185 -4.399 1.00 72.34 C ATOM 1151 C ASN A 70 5.925 8.363 -5.660 1.00 45.13 C ATOM 1152 O ASN A 70 6.024 8.892 -6.777 1.00 74.34 O ATOM 1153 CB ASN A 70 6.821 9.545 -3.592 1.00 13.43 C ATOM 1154 CG ASN A 70 7.654 10.729 -4.141 1.00 34.12 C ATOM 1155 OD1 ASN A 70 8.346 11.402 -3.383 1.00 62.13 O ATOM 1156 ND2 ASN A 70 7.626 11.010 -5.435 1.00 61.32 N ATOM 0 H ASN A 70 4.996 8.240 -2.587 1.00 15.41 H new ATOM 0 HA ASN A 70 5.034 10.094 -4.725 1.00 72.34 H new ATOM 0 HB2 ASN A 70 6.529 9.775 -2.567 1.00 13.43 H new ATOM 0 HB3 ASN A 70 7.461 8.664 -3.551 1.00 13.43 H new ATOM 0 HD21 ASN A 70 8.179 11.785 -5.801 1.00 61.32 H new ATOM 0 HD22 ASN A 70 7.051 10.451 -6.066 1.00 61.32 H new ATOM 1163 N LEU A 71 6.135 7.065 -5.428 1.00 60.52 N ATOM 1164 CA LEU A 71 6.519 6.084 -6.450 1.00 43.42 C ATOM 1165 C LEU A 71 5.447 6.012 -7.576 1.00 53.42 C ATOM 1166 O LEU A 71 5.761 6.154 -8.768 1.00 2.11 O ATOM 1167 CB LEU A 71 6.714 4.716 -5.719 1.00 0.41 C ATOM 1168 CG LEU A 71 7.509 3.594 -6.442 1.00 4.22 C ATOM 1169 CD1 LEU A 71 7.927 2.483 -5.447 1.00 33.02 C ATOM 1170 CD2 LEU A 71 6.723 2.991 -7.619 1.00 51.42 C ATOM 0 H LEU A 71 6.040 6.655 -4.499 1.00 60.52 H new ATOM 0 HA LEU A 71 7.447 6.368 -6.945 1.00 43.42 H new ATOM 0 HB2 LEU A 71 7.212 4.916 -4.770 1.00 0.41 H new ATOM 0 HB3 LEU A 71 5.725 4.322 -5.484 1.00 0.41 H new ATOM 0 HG LEU A 71 8.408 4.056 -6.851 1.00 4.22 H new ATOM 0 HD11 LEU A 71 8.482 1.709 -5.978 1.00 33.02 H new ATOM 0 HD12 LEU A 71 8.557 2.911 -4.667 1.00 33.02 H new ATOM 0 HD13 LEU A 71 7.037 2.046 -4.995 1.00 33.02 H new ATOM 0 HD21 LEU A 71 7.319 2.211 -8.093 1.00 51.42 H new ATOM 0 HD22 LEU A 71 5.790 2.562 -7.252 1.00 51.42 H new ATOM 0 HD23 LEU A 71 6.502 3.772 -8.347 1.00 51.42 H new ATOM 1182 N VAL A 72 4.184 5.818 -7.163 1.00 73.01 N ATOM 1183 CA VAL A 72 3.038 5.691 -8.085 1.00 3.14 C ATOM 1184 C VAL A 72 2.700 7.052 -8.760 1.00 21.42 C ATOM 1185 O VAL A 72 2.326 7.080 -9.938 1.00 72.41 O ATOM 1186 CB VAL A 72 1.774 5.113 -7.346 1.00 25.24 C ATOM 1187 CG1 VAL A 72 0.580 4.969 -8.312 1.00 44.34 C ATOM 1188 CG2 VAL A 72 2.090 3.752 -6.671 1.00 15.23 C ATOM 0 H VAL A 72 3.926 5.744 -6.179 1.00 73.01 H new ATOM 0 HA VAL A 72 3.327 4.988 -8.867 1.00 3.14 H new ATOM 0 HB VAL A 72 1.500 5.824 -6.567 1.00 25.24 H new ATOM 0 HG11 VAL A 72 -0.278 4.568 -7.773 1.00 44.34 H new ATOM 0 HG12 VAL A 72 0.325 5.946 -8.724 1.00 44.34 H new ATOM 0 HG13 VAL A 72 0.848 4.292 -9.123 1.00 44.34 H new ATOM 0 HG21 VAL A 72 1.197 3.379 -6.169 1.00 15.23 H new ATOM 0 HG22 VAL A 72 2.407 3.035 -7.428 1.00 15.23 H new ATOM 0 HG23 VAL A 72 2.888 3.885 -5.941 1.00 15.23 H new ATOM 1198 N ASP A 73 2.862 8.166 -8.001 1.00 34.12 N ATOM 1199 CA ASP A 73 2.718 9.557 -8.522 1.00 63.15 C ATOM 1200 C ASP A 73 3.604 9.801 -9.772 1.00 13.24 C ATOM 1201 O ASP A 73 3.175 10.446 -10.735 1.00 55.11 O ATOM 1202 CB ASP A 73 3.082 10.606 -7.415 1.00 21.22 C ATOM 1203 CG ASP A 73 1.971 10.881 -6.399 1.00 62.01 C ATOM 1204 OD1 ASP A 73 0.817 11.108 -6.822 1.00 22.41 O ATOM 1205 OD2 ASP A 73 2.252 10.954 -5.179 1.00 2.34 O ATOM 0 H ASP A 73 3.096 8.129 -7.009 1.00 34.12 H new ATOM 0 HA ASP A 73 1.674 9.680 -8.811 1.00 63.15 H new ATOM 0 HB2 ASP A 73 3.965 10.257 -6.880 1.00 21.22 H new ATOM 0 HB3 ASP A 73 3.353 11.544 -7.899 1.00 21.22 H new ATOM 1210 N LYS A 74 4.842 9.278 -9.733 1.00 61.23 N ATOM 1211 CA LYS A 74 5.815 9.434 -10.836 1.00 52.13 C ATOM 1212 C LYS A 74 5.467 8.564 -12.068 1.00 33.41 C ATOM 1213 O LYS A 74 5.482 9.050 -13.196 1.00 21.12 O ATOM 1214 CB LYS A 74 7.252 9.123 -10.340 1.00 71.43 C ATOM 1215 CG LYS A 74 7.875 10.236 -9.467 1.00 43.31 C ATOM 1216 CD LYS A 74 9.389 10.042 -9.245 1.00 14.44 C ATOM 1217 CE LYS A 74 10.022 11.192 -8.439 1.00 23.41 C ATOM 1218 NZ LYS A 74 11.496 11.056 -8.340 1.00 73.54 N ATOM 0 H LYS A 74 5.197 8.739 -8.944 1.00 61.23 H new ATOM 0 HA LYS A 74 5.763 10.474 -11.159 1.00 52.13 H new ATOM 0 HB2 LYS A 74 7.234 8.195 -9.768 1.00 71.43 H new ATOM 0 HB3 LYS A 74 7.894 8.952 -11.204 1.00 71.43 H new ATOM 0 HG2 LYS A 74 7.702 11.203 -9.940 1.00 43.31 H new ATOM 0 HG3 LYS A 74 7.370 10.259 -8.501 1.00 43.31 H new ATOM 0 HD2 LYS A 74 9.558 9.101 -8.722 1.00 14.44 H new ATOM 0 HD3 LYS A 74 9.887 9.964 -10.211 1.00 14.44 H new ATOM 0 HE2 LYS A 74 9.777 12.143 -8.911 1.00 23.41 H new ATOM 0 HE3 LYS A 74 9.592 11.213 -7.438 1.00 23.41 H new ATOM 0 HZ1 LYS A 74 11.882 11.850 -7.790 1.00 73.54 H new ATOM 0 HZ2 LYS A 74 11.731 10.160 -7.867 1.00 73.54 H new ATOM 0 HZ3 LYS A 74 11.910 11.062 -9.294 1.00 73.54 H new ATOM 1232 N MET A 75 5.166 7.283 -11.844 1.00 3.30 N ATOM 1233 CA MET A 75 4.862 6.322 -12.936 1.00 13.41 C ATOM 1234 C MET A 75 3.529 6.652 -13.657 1.00 41.24 C ATOM 1235 O MET A 75 3.370 6.352 -14.847 1.00 52.31 O ATOM 1236 CB MET A 75 4.860 4.886 -12.387 1.00 5.24 C ATOM 1237 CG MET A 75 6.206 4.450 -11.780 1.00 41.15 C ATOM 1238 SD MET A 75 6.248 2.696 -11.356 1.00 43.41 S ATOM 1239 CE MET A 75 4.733 2.540 -10.419 1.00 12.22 C ATOM 0 H MET A 75 5.123 6.873 -10.911 1.00 3.30 H new ATOM 0 HA MET A 75 5.647 6.411 -13.687 1.00 13.41 H new ATOM 0 HB2 MET A 75 4.084 4.799 -11.626 1.00 5.24 H new ATOM 0 HB3 MET A 75 4.596 4.200 -13.192 1.00 5.24 H new ATOM 0 HG2 MET A 75 7.006 4.667 -12.488 1.00 41.15 H new ATOM 0 HG3 MET A 75 6.404 5.040 -10.885 1.00 41.15 H new ATOM 0 HE1 MET A 75 4.749 1.608 -9.853 1.00 12.22 H new ATOM 0 HE2 MET A 75 4.642 3.381 -9.731 1.00 12.22 H new ATOM 0 HE3 MET A 75 3.882 2.536 -11.101 1.00 12.22 H new ATOM 1249 N LEU A 76 2.591 7.258 -12.899 1.00 43.52 N ATOM 1250 CA LEU A 76 1.299 7.801 -13.407 1.00 71.24 C ATOM 1251 C LEU A 76 1.501 8.721 -14.650 1.00 25.14 C ATOM 1252 O LEU A 76 0.654 8.768 -15.551 1.00 11.31 O ATOM 1253 CB LEU A 76 0.626 8.596 -12.253 1.00 52.51 C ATOM 1254 CG LEU A 76 -0.825 9.119 -12.490 1.00 20.51 C ATOM 1255 CD1 LEU A 76 -1.798 7.968 -12.838 1.00 70.43 C ATOM 1256 CD2 LEU A 76 -1.321 9.917 -11.258 1.00 13.40 C ATOM 0 H LEU A 76 2.707 7.390 -11.894 1.00 43.52 H new ATOM 0 HA LEU A 76 0.667 6.973 -13.728 1.00 71.24 H new ATOM 0 HB2 LEU A 76 0.614 7.959 -11.368 1.00 52.51 H new ATOM 0 HB3 LEU A 76 1.259 9.453 -12.021 1.00 52.51 H new ATOM 0 HG LEU A 76 -0.802 9.790 -13.349 1.00 20.51 H new ATOM 0 HD11 LEU A 76 -2.798 8.372 -12.996 1.00 70.43 H new ATOM 0 HD12 LEU A 76 -1.461 7.469 -13.746 1.00 70.43 H new ATOM 0 HD13 LEU A 76 -1.822 7.251 -12.017 1.00 70.43 H new ATOM 0 HD21 LEU A 76 -2.334 10.275 -11.440 1.00 13.40 H new ATOM 0 HD22 LEU A 76 -1.316 9.271 -10.380 1.00 13.40 H new ATOM 0 HD23 LEU A 76 -0.662 10.768 -11.086 1.00 13.40 H new ATOM 1268 N ASN A 77 2.631 9.456 -14.671 1.00 33.43 N ATOM 1269 CA ASN A 77 3.078 10.246 -15.846 1.00 21.22 C ATOM 1270 C ASN A 77 4.260 9.537 -16.568 1.00 41.52 C ATOM 1271 O ASN A 77 5.298 9.240 -15.964 1.00 44.12 O ATOM 1272 CB ASN A 77 3.432 11.718 -15.453 1.00 22.35 C ATOM 1273 CG ASN A 77 4.052 11.870 -14.060 1.00 33.01 C ATOM 1274 OD1 ASN A 77 3.358 12.103 -13.079 1.00 43.53 O ATOM 1275 ND2 ASN A 77 5.349 11.713 -13.948 1.00 40.22 N ATOM 0 H ASN A 77 3.264 9.521 -13.874 1.00 33.43 H new ATOM 0 HA ASN A 77 2.246 10.303 -16.548 1.00 21.22 H new ATOM 0 HB2 ASN A 77 4.125 12.122 -16.192 1.00 22.35 H new ATOM 0 HB3 ASN A 77 2.526 12.322 -15.502 1.00 22.35 H new ATOM 0 HD21 ASN A 77 5.794 11.785 -13.033 1.00 40.22 H new ATOM 0 HD22 ASN A 77 5.913 11.519 -14.776 1.00 40.22 H new ATOM 1282 N SER A 78 4.087 9.318 -17.887 1.00 30.40 N ATOM 1283 CA SER A 78 5.036 8.567 -18.757 1.00 43.22 C ATOM 1284 C SER A 78 6.406 9.285 -18.957 1.00 64.02 C ATOM 1285 O SER A 78 7.318 8.723 -19.574 1.00 3.02 O ATOM 1286 CB SER A 78 4.356 8.305 -20.125 1.00 5.22 C ATOM 1287 OG SER A 78 5.196 7.587 -21.026 1.00 61.43 O ATOM 0 H SER A 78 3.271 9.661 -18.394 1.00 30.40 H new ATOM 0 HA SER A 78 5.268 7.629 -18.253 1.00 43.22 H new ATOM 0 HB2 SER A 78 3.435 7.744 -19.967 1.00 5.22 H new ATOM 0 HB3 SER A 78 4.076 9.257 -20.576 1.00 5.22 H new ATOM 0 HG SER A 78 6.123 7.628 -20.711 1.00 61.43 H new ATOM 1293 N GLU A 79 6.554 10.510 -18.410 1.00 33.32 N ATOM 1294 CA GLU A 79 7.834 11.271 -18.446 1.00 34.35 C ATOM 1295 C GLU A 79 8.922 10.551 -17.597 1.00 42.33 C ATOM 1296 O GLU A 79 10.123 10.658 -17.859 1.00 52.03 O ATOM 1297 CB GLU A 79 7.606 12.717 -17.914 1.00 1.31 C ATOM 1298 CG GLU A 79 7.234 12.794 -16.422 1.00 25.31 C ATOM 1299 CD GLU A 79 7.095 14.220 -15.880 1.00 45.24 C ATOM 1300 OE1 GLU A 79 5.994 14.805 -15.989 1.00 62.14 O ATOM 1301 OE2 GLU A 79 8.086 14.754 -15.330 1.00 52.15 O ATOM 0 H GLU A 79 5.799 11.002 -17.933 1.00 33.32 H new ATOM 0 HA GLU A 79 8.181 11.322 -19.478 1.00 34.35 H new ATOM 0 HB2 GLU A 79 8.512 13.300 -18.081 1.00 1.31 H new ATOM 0 HB3 GLU A 79 6.814 13.185 -18.498 1.00 1.31 H new ATOM 0 HG2 GLU A 79 6.294 12.265 -16.266 1.00 25.31 H new ATOM 0 HG3 GLU A 79 7.994 12.270 -15.842 1.00 25.31 H new ATOM 1308 N ILE A 80 8.447 9.830 -16.570 1.00 0.30 N ATOM 1309 CA ILE A 80 9.271 9.015 -15.661 1.00 55.41 C ATOM 1310 C ILE A 80 9.294 7.545 -16.146 1.00 31.23 C ATOM 1311 O ILE A 80 10.343 6.885 -16.117 1.00 14.51 O ATOM 1312 CB ILE A 80 8.669 9.091 -14.211 1.00 14.24 C ATOM 1313 CG1 ILE A 80 8.533 10.584 -13.739 1.00 60.14 C ATOM 1314 CG2 ILE A 80 9.483 8.241 -13.198 1.00 74.40 C ATOM 1315 CD1 ILE A 80 9.822 11.254 -13.283 1.00 35.42 C ATOM 0 H ILE A 80 7.453 9.796 -16.342 1.00 0.30 H new ATOM 0 HA ILE A 80 10.292 9.398 -15.652 1.00 55.41 H new ATOM 0 HB ILE A 80 7.669 8.659 -14.248 1.00 14.24 H new ATOM 0 HG12 ILE A 80 8.112 11.167 -14.558 1.00 60.14 H new ATOM 0 HG13 ILE A 80 7.816 10.622 -12.919 1.00 60.14 H new ATOM 0 HG21 ILE A 80 9.032 8.323 -12.209 1.00 74.40 H new ATOM 0 HG22 ILE A 80 9.480 7.198 -13.513 1.00 74.40 H new ATOM 0 HG23 ILE A 80 10.510 8.605 -13.160 1.00 74.40 H new ATOM 0 HD11 ILE A 80 9.611 12.280 -12.980 1.00 35.42 H new ATOM 0 HD12 ILE A 80 10.239 10.705 -12.439 1.00 35.42 H new ATOM 0 HD13 ILE A 80 10.540 11.258 -14.103 1.00 35.42 H new ATOM 1327 N LYS A 81 8.094 7.063 -16.562 1.00 53.54 N ATOM 1328 CA LYS A 81 7.850 5.698 -17.100 1.00 62.22 C ATOM 1329 C LYS A 81 7.912 4.608 -15.989 1.00 72.24 C ATOM 1330 O LYS A 81 8.596 4.759 -14.967 1.00 70.04 O ATOM 1331 CB LYS A 81 8.796 5.371 -18.298 1.00 51.00 C ATOM 1332 CG LYS A 81 8.425 4.101 -19.106 1.00 1.03 C ATOM 1333 CD LYS A 81 9.406 3.826 -20.267 1.00 52.23 C ATOM 1334 CE LYS A 81 9.034 2.570 -21.073 1.00 71.34 C ATOM 1335 NZ LYS A 81 9.978 2.330 -22.195 1.00 25.14 N ATOM 0 H LYS A 81 7.246 7.629 -16.532 1.00 53.54 H new ATOM 0 HA LYS A 81 6.831 5.687 -17.487 1.00 62.22 H new ATOM 0 HB2 LYS A 81 8.804 6.224 -18.977 1.00 51.00 H new ATOM 0 HB3 LYS A 81 9.811 5.256 -17.918 1.00 51.00 H new ATOM 0 HG2 LYS A 81 8.410 3.241 -18.437 1.00 1.03 H new ATOM 0 HG3 LYS A 81 7.417 4.211 -19.506 1.00 1.03 H new ATOM 0 HD2 LYS A 81 9.425 4.688 -20.934 1.00 52.23 H new ATOM 0 HD3 LYS A 81 10.413 3.711 -19.867 1.00 52.23 H new ATOM 0 HE2 LYS A 81 9.028 1.703 -20.412 1.00 71.34 H new ATOM 0 HE3 LYS A 81 8.023 2.678 -21.466 1.00 71.34 H new ATOM 0 HZ1 LYS A 81 9.692 1.475 -22.713 1.00 25.14 H new ATOM 0 HZ2 LYS A 81 9.965 3.146 -22.840 1.00 25.14 H new ATOM 0 HZ3 LYS A 81 10.939 2.202 -21.819 1.00 25.14 H new ATOM 1349 N ILE A 82 7.190 3.495 -16.219 1.00 13.31 N ATOM 1350 CA ILE A 82 6.953 2.444 -15.215 1.00 51.31 C ATOM 1351 C ILE A 82 8.059 1.374 -15.302 1.00 21.11 C ATOM 1352 O ILE A 82 8.035 0.506 -16.182 1.00 0.14 O ATOM 1353 CB ILE A 82 5.522 1.770 -15.381 1.00 55.32 C ATOM 1354 CG1 ILE A 82 4.368 2.830 -15.468 1.00 72.21 C ATOM 1355 CG2 ILE A 82 5.232 0.773 -14.237 1.00 4.11 C ATOM 1356 CD1 ILE A 82 4.205 3.509 -16.815 1.00 34.31 C ATOM 0 H ILE A 82 6.750 3.299 -17.118 1.00 13.31 H new ATOM 0 HA ILE A 82 6.978 2.915 -14.233 1.00 51.31 H new ATOM 0 HB ILE A 82 5.550 1.227 -16.326 1.00 55.32 H new ATOM 0 HG12 ILE A 82 3.429 2.340 -15.211 1.00 72.21 H new ATOM 0 HG13 ILE A 82 4.545 3.596 -14.713 1.00 72.21 H new ATOM 0 HG21 ILE A 82 4.246 0.331 -14.381 1.00 4.11 H new ATOM 0 HG22 ILE A 82 5.987 -0.013 -14.240 1.00 4.11 H new ATOM 0 HG23 ILE A 82 5.258 1.298 -13.282 1.00 4.11 H new ATOM 0 HD11 ILE A 82 3.381 4.221 -16.766 1.00 34.31 H new ATOM 0 HD12 ILE A 82 5.125 4.035 -17.071 1.00 34.31 H new ATOM 0 HD13 ILE A 82 3.991 2.759 -17.577 1.00 34.31 H new ATOM 1368 N THR A 83 9.054 1.490 -14.411 1.00 25.44 N ATOM 1369 CA THR A 83 10.172 0.535 -14.328 1.00 73.31 C ATOM 1370 C THR A 83 9.732 -0.739 -13.571 1.00 63.23 C ATOM 1371 O THR A 83 9.187 -0.633 -12.478 1.00 75.30 O ATOM 1372 CB THR A 83 11.420 1.184 -13.625 1.00 15.21 C ATOM 1373 OG1 THR A 83 11.831 2.364 -14.338 1.00 61.54 O ATOM 1374 CG2 THR A 83 12.620 0.214 -13.514 1.00 44.20 C ATOM 0 H THR A 83 9.108 2.246 -13.728 1.00 25.44 H new ATOM 0 HA THR A 83 10.460 0.262 -15.343 1.00 73.31 H new ATOM 0 HB THR A 83 11.109 1.439 -12.612 1.00 15.21 H new ATOM 0 HG1 THR A 83 12.607 2.762 -13.892 1.00 61.54 H new ATOM 0 HG21 THR A 83 13.451 0.718 -13.020 1.00 44.20 H new ATOM 0 HG22 THR A 83 12.329 -0.660 -12.932 1.00 44.20 H new ATOM 0 HG23 THR A 83 12.927 -0.100 -14.511 1.00 44.20 H new ATOM 1382 N SER A 84 9.984 -1.931 -14.153 1.00 75.24 N ATOM 1383 CA SER A 84 9.549 -3.237 -13.570 1.00 1.15 C ATOM 1384 C SER A 84 10.187 -3.510 -12.180 1.00 53.43 C ATOM 1385 O SER A 84 9.534 -4.042 -11.274 1.00 54.12 O ATOM 1386 CB SER A 84 9.880 -4.395 -14.540 1.00 33.50 C ATOM 1387 OG SER A 84 9.433 -5.647 -14.034 1.00 23.41 O ATOM 0 H SER A 84 10.490 -2.025 -15.034 1.00 75.24 H new ATOM 0 HA SER A 84 8.470 -3.177 -13.426 1.00 1.15 H new ATOM 0 HB2 SER A 84 9.413 -4.205 -15.507 1.00 33.50 H new ATOM 0 HB3 SER A 84 10.956 -4.433 -14.708 1.00 33.50 H new ATOM 0 HG SER A 84 9.657 -6.356 -14.672 1.00 23.41 H new ATOM 1393 N ASP A 85 11.466 -3.125 -12.024 1.00 31.12 N ATOM 1394 CA ASP A 85 12.199 -3.232 -10.734 1.00 31.20 C ATOM 1395 C ASP A 85 11.648 -2.239 -9.679 1.00 63.52 C ATOM 1396 O ASP A 85 11.737 -2.474 -8.472 1.00 32.11 O ATOM 1397 CB ASP A 85 13.700 -2.960 -10.951 1.00 13.34 C ATOM 1398 CG ASP A 85 14.320 -3.847 -12.042 1.00 52.14 C ATOM 1399 OD1 ASP A 85 14.291 -3.454 -13.229 1.00 21.30 O ATOM 1400 OD2 ASP A 85 14.838 -4.938 -11.719 1.00 61.22 O ATOM 0 H ASP A 85 12.025 -2.731 -12.781 1.00 31.12 H new ATOM 0 HA ASP A 85 12.055 -4.246 -10.361 1.00 31.20 H new ATOM 0 HB2 ASP A 85 13.839 -1.913 -11.220 1.00 13.34 H new ATOM 0 HB3 ASP A 85 14.232 -3.122 -10.013 1.00 13.34 H new ATOM 1405 N LEU A 86 11.114 -1.110 -10.155 1.00 4.32 N ATOM 1406 CA LEU A 86 10.462 -0.109 -9.292 1.00 21.31 C ATOM 1407 C LEU A 86 9.045 -0.574 -8.852 1.00 63.12 C ATOM 1408 O LEU A 86 8.593 -0.259 -7.746 1.00 43.35 O ATOM 1409 CB LEU A 86 10.390 1.255 -10.005 1.00 13.02 C ATOM 1410 CG LEU A 86 10.012 2.459 -9.098 1.00 31.41 C ATOM 1411 CD1 LEU A 86 11.179 2.872 -8.166 1.00 21.23 C ATOM 1412 CD2 LEU A 86 9.493 3.646 -9.939 1.00 23.52 C ATOM 0 H LEU A 86 11.119 -0.861 -11.144 1.00 4.32 H new ATOM 0 HA LEU A 86 11.068 0.000 -8.393 1.00 21.31 H new ATOM 0 HB2 LEU A 86 11.357 1.457 -10.465 1.00 13.02 H new ATOM 0 HB3 LEU A 86 9.661 1.186 -10.812 1.00 13.02 H new ATOM 0 HG LEU A 86 9.198 2.138 -8.448 1.00 31.41 H new ATOM 0 HD11 LEU A 86 10.871 3.717 -7.550 1.00 21.23 H new ATOM 0 HD12 LEU A 86 11.446 2.033 -7.524 1.00 21.23 H new ATOM 0 HD13 LEU A 86 12.042 3.157 -8.768 1.00 21.23 H new ATOM 0 HD21 LEU A 86 9.236 4.475 -9.279 1.00 23.52 H new ATOM 0 HD22 LEU A 86 10.268 3.964 -10.636 1.00 23.52 H new ATOM 0 HD23 LEU A 86 8.608 3.338 -10.496 1.00 23.52 H new ATOM 1424 N ILE A 87 8.344 -1.309 -9.746 1.00 41.40 N ATOM 1425 CA ILE A 87 7.098 -2.042 -9.393 1.00 35.41 C ATOM 1426 C ILE A 87 7.402 -3.067 -8.260 1.00 22.14 C ATOM 1427 O ILE A 87 6.582 -3.308 -7.362 1.00 45.01 O ATOM 1428 CB ILE A 87 6.498 -2.830 -10.631 1.00 45.11 C ATOM 1429 CG1 ILE A 87 6.238 -1.899 -11.853 1.00 44.33 C ATOM 1430 CG2 ILE A 87 5.203 -3.591 -10.259 1.00 2.24 C ATOM 1431 CD1 ILE A 87 5.719 -2.622 -13.100 1.00 51.13 C ATOM 0 H ILE A 87 8.619 -1.413 -10.723 1.00 41.40 H new ATOM 0 HA ILE A 87 6.367 -1.302 -9.068 1.00 35.41 H new ATOM 0 HB ILE A 87 7.255 -3.560 -10.918 1.00 45.11 H new ATOM 0 HG12 ILE A 87 5.517 -1.134 -11.565 1.00 44.33 H new ATOM 0 HG13 ILE A 87 7.165 -1.384 -12.106 1.00 44.33 H new ATOM 0 HG21 ILE A 87 4.825 -4.117 -11.136 1.00 2.24 H new ATOM 0 HG22 ILE A 87 5.418 -4.310 -9.469 1.00 2.24 H new ATOM 0 HG23 ILE A 87 4.452 -2.882 -9.910 1.00 2.24 H new ATOM 0 HD11 ILE A 87 5.565 -1.900 -13.902 1.00 51.13 H new ATOM 0 HD12 ILE A 87 6.448 -3.368 -13.418 1.00 51.13 H new ATOM 0 HD13 ILE A 87 4.774 -3.114 -12.869 1.00 51.13 H new ATOM 1443 N ASP A 88 8.623 -3.637 -8.324 1.00 64.31 N ATOM 1444 CA ASP A 88 9.123 -4.610 -7.340 1.00 64.34 C ATOM 1445 C ASP A 88 9.394 -3.926 -5.976 1.00 33.55 C ATOM 1446 O ASP A 88 9.305 -4.569 -4.924 1.00 42.41 O ATOM 1447 CB ASP A 88 10.403 -5.283 -7.889 1.00 50.43 C ATOM 1448 CG ASP A 88 10.912 -6.437 -7.012 1.00 72.53 C ATOM 1449 OD1 ASP A 88 10.238 -7.489 -6.949 1.00 15.14 O ATOM 1450 OD2 ASP A 88 11.979 -6.297 -6.374 1.00 70.01 O ATOM 0 H ASP A 88 9.292 -3.431 -9.066 1.00 64.31 H new ATOM 0 HA ASP A 88 8.364 -5.375 -7.176 1.00 64.34 H new ATOM 0 HB2 ASP A 88 10.204 -5.660 -8.892 1.00 50.43 H new ATOM 0 HB3 ASP A 88 11.188 -4.533 -7.980 1.00 50.43 H new ATOM 1455 N LYS A 89 9.732 -2.614 -6.010 1.00 3.02 N ATOM 1456 CA LYS A 89 9.888 -1.800 -4.786 1.00 24.41 C ATOM 1457 C LYS A 89 8.527 -1.631 -4.065 1.00 14.22 C ATOM 1458 O LYS A 89 8.467 -1.680 -2.836 1.00 43.45 O ATOM 1459 CB LYS A 89 10.512 -0.416 -5.115 1.00 12.21 C ATOM 1460 CG LYS A 89 10.834 0.447 -3.868 1.00 32.21 C ATOM 1461 CD LYS A 89 11.476 1.806 -4.225 1.00 63.34 C ATOM 1462 CE LYS A 89 11.756 2.670 -2.981 1.00 15.30 C ATOM 1463 NZ LYS A 89 12.381 3.972 -3.335 1.00 73.44 N ATOM 0 H LYS A 89 9.901 -2.099 -6.874 1.00 3.02 H new ATOM 0 HA LYS A 89 10.568 -2.325 -4.115 1.00 24.41 H new ATOM 0 HB2 LYS A 89 11.429 -0.569 -5.684 1.00 12.21 H new ATOM 0 HB3 LYS A 89 9.826 0.136 -5.758 1.00 12.21 H new ATOM 0 HG2 LYS A 89 9.916 0.621 -3.306 1.00 32.21 H new ATOM 0 HG3 LYS A 89 11.508 -0.106 -3.214 1.00 32.21 H new ATOM 0 HD2 LYS A 89 12.409 1.634 -4.761 1.00 63.34 H new ATOM 0 HD3 LYS A 89 10.816 2.350 -4.900 1.00 63.34 H new ATOM 0 HE2 LYS A 89 10.823 2.849 -2.447 1.00 15.30 H new ATOM 0 HE3 LYS A 89 12.412 2.126 -2.302 1.00 15.30 H new ATOM 0 HZ1 LYS A 89 12.552 4.522 -2.469 1.00 73.44 H new ATOM 0 HZ2 LYS A 89 13.284 3.803 -3.822 1.00 73.44 H new ATOM 0 HZ3 LYS A 89 11.744 4.504 -3.962 1.00 73.44 H new ATOM 1477 N VAL A 90 7.435 -1.456 -4.850 1.00 63.01 N ATOM 1478 CA VAL A 90 6.048 -1.387 -4.304 1.00 41.12 C ATOM 1479 C VAL A 90 5.692 -2.709 -3.579 1.00 65.12 C ATOM 1480 O VAL A 90 5.223 -2.699 -2.438 1.00 42.42 O ATOM 1481 CB VAL A 90 4.961 -1.124 -5.423 1.00 1.53 C ATOM 1482 CG1 VAL A 90 3.574 -0.823 -4.805 1.00 15.00 C ATOM 1483 CG2 VAL A 90 5.384 0.005 -6.374 1.00 13.55 C ATOM 0 H VAL A 90 7.484 -1.360 -5.864 1.00 63.01 H new ATOM 0 HA VAL A 90 6.034 -0.546 -3.610 1.00 41.12 H new ATOM 0 HB VAL A 90 4.881 -2.040 -6.008 1.00 1.53 H new ATOM 0 HG11 VAL A 90 2.851 -0.647 -5.602 1.00 15.00 H new ATOM 0 HG12 VAL A 90 3.252 -1.673 -4.203 1.00 15.00 H new ATOM 0 HG13 VAL A 90 3.641 0.063 -4.174 1.00 15.00 H new ATOM 0 HG21 VAL A 90 4.611 0.155 -7.128 1.00 13.55 H new ATOM 0 HG22 VAL A 90 5.521 0.926 -5.807 1.00 13.55 H new ATOM 0 HG23 VAL A 90 6.321 -0.263 -6.863 1.00 13.55 H new ATOM 1493 N LYS A 91 5.955 -3.836 -4.280 1.00 42.44 N ATOM 1494 CA LYS A 91 5.779 -5.207 -3.742 1.00 1.13 C ATOM 1495 C LYS A 91 6.539 -5.419 -2.408 1.00 51.21 C ATOM 1496 O LYS A 91 5.966 -5.925 -1.446 1.00 51.41 O ATOM 1497 CB LYS A 91 6.252 -6.276 -4.786 1.00 40.14 C ATOM 1498 CG LYS A 91 5.177 -6.761 -5.782 1.00 13.33 C ATOM 1499 CD LYS A 91 4.017 -7.522 -5.078 1.00 33.54 C ATOM 1500 CE LYS A 91 3.116 -8.283 -6.067 1.00 54.15 C ATOM 1501 NZ LYS A 91 3.879 -9.301 -6.837 1.00 72.04 N ATOM 0 H LYS A 91 6.297 -3.821 -5.241 1.00 42.44 H new ATOM 0 HA LYS A 91 4.714 -5.330 -3.545 1.00 1.13 H new ATOM 0 HB2 LYS A 91 7.085 -5.860 -5.353 1.00 40.14 H new ATOM 0 HB3 LYS A 91 6.636 -7.141 -4.245 1.00 40.14 H new ATOM 0 HG2 LYS A 91 4.772 -5.904 -6.321 1.00 13.33 H new ATOM 0 HG3 LYS A 91 5.640 -7.414 -6.522 1.00 13.33 H new ATOM 0 HD2 LYS A 91 4.435 -8.226 -4.358 1.00 33.54 H new ATOM 0 HD3 LYS A 91 3.412 -6.812 -4.515 1.00 33.54 H new ATOM 0 HE2 LYS A 91 2.308 -8.770 -5.522 1.00 54.15 H new ATOM 0 HE3 LYS A 91 2.655 -7.576 -6.757 1.00 54.15 H new ATOM 0 HZ1 LYS A 91 3.733 -9.147 -7.855 1.00 72.04 H new ATOM 0 HZ2 LYS A 91 4.892 -9.216 -6.616 1.00 72.04 H new ATOM 0 HZ3 LYS A 91 3.547 -10.252 -6.579 1.00 72.04 H new ATOM 1515 N LYS A 92 7.827 -5.023 -2.378 1.00 35.43 N ATOM 1516 CA LYS A 92 8.739 -5.296 -1.245 1.00 4.31 C ATOM 1517 C LYS A 92 8.420 -4.427 0.007 1.00 4.24 C ATOM 1518 O LYS A 92 8.484 -4.905 1.154 1.00 25.02 O ATOM 1519 CB LYS A 92 10.206 -5.088 -1.696 1.00 20.11 C ATOM 1520 CG LYS A 92 11.246 -5.594 -0.682 1.00 15.14 C ATOM 1521 CD LYS A 92 11.170 -7.131 -0.487 1.00 74.11 C ATOM 1522 CE LYS A 92 12.209 -7.673 0.505 1.00 14.35 C ATOM 1523 NZ LYS A 92 12.004 -7.162 1.883 1.00 24.41 N ATOM 0 H LYS A 92 8.266 -4.504 -3.138 1.00 35.43 H new ATOM 0 HA LYS A 92 8.590 -6.334 -0.946 1.00 4.31 H new ATOM 0 HB2 LYS A 92 10.360 -5.600 -2.646 1.00 20.11 H new ATOM 0 HB3 LYS A 92 10.374 -4.026 -1.875 1.00 20.11 H new ATOM 0 HG2 LYS A 92 12.245 -5.321 -1.021 1.00 15.14 H new ATOM 0 HG3 LYS A 92 11.088 -5.099 0.276 1.00 15.14 H new ATOM 0 HD2 LYS A 92 10.172 -7.396 -0.137 1.00 74.11 H new ATOM 0 HD3 LYS A 92 11.310 -7.619 -1.451 1.00 74.11 H new ATOM 0 HE2 LYS A 92 12.163 -8.762 0.515 1.00 14.35 H new ATOM 0 HE3 LYS A 92 13.208 -7.399 0.165 1.00 14.35 H new ATOM 0 HZ1 LYS A 92 12.721 -7.571 2.515 1.00 24.41 H new ATOM 0 HZ2 LYS A 92 12.091 -6.126 1.886 1.00 24.41 H new ATOM 0 HZ3 LYS A 92 11.056 -7.430 2.215 1.00 24.41 H new ATOM 1537 N LYS A 93 8.098 -3.148 -0.229 1.00 22.31 N ATOM 1538 CA LYS A 93 7.675 -2.202 0.834 1.00 2.11 C ATOM 1539 C LYS A 93 6.315 -2.612 1.452 1.00 73.53 C ATOM 1540 O LYS A 93 6.131 -2.534 2.666 1.00 41.32 O ATOM 1541 CB LYS A 93 7.596 -0.746 0.286 1.00 73.32 C ATOM 1542 CG LYS A 93 8.955 -0.114 -0.098 1.00 52.24 C ATOM 1543 CD LYS A 93 9.942 -0.027 1.092 1.00 50.42 C ATOM 1544 CE LYS A 93 11.290 0.608 0.703 1.00 62.14 C ATOM 1545 NZ LYS A 93 12.250 0.602 1.836 1.00 22.33 N ATOM 0 H LYS A 93 8.121 -2.732 -1.160 1.00 22.31 H new ATOM 0 HA LYS A 93 8.430 -2.240 1.619 1.00 2.11 H new ATOM 0 HB2 LYS A 93 6.949 -0.739 -0.591 1.00 73.32 H new ATOM 0 HB3 LYS A 93 7.120 -0.117 1.038 1.00 73.32 H new ATOM 0 HG2 LYS A 93 9.409 -0.701 -0.897 1.00 52.24 H new ATOM 0 HG3 LYS A 93 8.784 0.887 -0.495 1.00 52.24 H new ATOM 0 HD2 LYS A 93 9.488 0.557 1.893 1.00 50.42 H new ATOM 0 HD3 LYS A 93 10.117 -1.028 1.487 1.00 50.42 H new ATOM 0 HE2 LYS A 93 11.718 0.064 -0.139 1.00 62.14 H new ATOM 0 HE3 LYS A 93 11.126 1.633 0.371 1.00 62.14 H new ATOM 0 HZ1 LYS A 93 13.145 1.038 1.535 1.00 22.33 H new ATOM 0 HZ2 LYS A 93 11.852 1.142 2.631 1.00 22.33 H new ATOM 0 HZ3 LYS A 93 12.426 -0.378 2.137 1.00 22.33 H new ATOM 1559 N LEU A 94 5.377 -3.061 0.600 1.00 44.12 N ATOM 1560 CA LEU A 94 4.034 -3.531 1.032 1.00 43.23 C ATOM 1561 C LEU A 94 4.138 -4.946 1.680 1.00 73.03 C ATOM 1562 O LEU A 94 3.343 -5.296 2.558 1.00 73.53 O ATOM 1563 CB LEU A 94 3.067 -3.485 -0.198 1.00 54.45 C ATOM 1564 CG LEU A 94 1.516 -3.599 0.043 1.00 65.42 C ATOM 1565 CD1 LEU A 94 1.048 -5.051 0.256 1.00 4.13 C ATOM 1566 CD2 LEU A 94 1.056 -2.679 1.199 1.00 23.55 C ATOM 0 H LEU A 94 5.521 -3.111 -0.409 1.00 44.12 H new ATOM 0 HA LEU A 94 3.624 -2.877 1.802 1.00 43.23 H new ATOM 0 HB2 LEU A 94 3.250 -2.548 -0.725 1.00 54.45 H new ATOM 0 HB3 LEU A 94 3.355 -4.291 -0.873 1.00 54.45 H new ATOM 0 HG LEU A 94 1.035 -3.254 -0.873 1.00 65.42 H new ATOM 0 HD11 LEU A 94 -0.030 -5.066 0.417 1.00 4.13 H new ATOM 0 HD12 LEU A 94 1.291 -5.645 -0.625 1.00 4.13 H new ATOM 0 HD13 LEU A 94 1.551 -5.471 1.127 1.00 4.13 H new ATOM 0 HD21 LEU A 94 -0.020 -2.782 1.339 1.00 23.55 H new ATOM 0 HD22 LEU A 94 1.571 -2.963 2.117 1.00 23.55 H new ATOM 0 HD23 LEU A 94 1.293 -1.643 0.956 1.00 23.55 H new ATOM 1578 N ASP A 95 5.159 -5.728 1.257 1.00 33.44 N ATOM 1579 CA ASP A 95 5.516 -7.036 1.876 1.00 44.21 C ATOM 1580 C ASP A 95 5.867 -6.819 3.366 1.00 25.44 C ATOM 1581 O ASP A 95 5.459 -7.580 4.250 1.00 42.44 O ATOM 1582 CB ASP A 95 6.752 -7.652 1.141 1.00 50.51 C ATOM 1583 CG ASP A 95 6.789 -9.193 1.163 1.00 65.45 C ATOM 1584 OD1 ASP A 95 7.326 -9.785 2.127 1.00 32.45 O ATOM 1585 OD2 ASP A 95 6.288 -9.822 0.207 1.00 0.11 O ATOM 0 H ASP A 95 5.763 -5.473 0.475 1.00 33.44 H new ATOM 0 HA ASP A 95 4.669 -7.716 1.790 1.00 44.21 H new ATOM 0 HB2 ASP A 95 6.752 -7.313 0.105 1.00 50.51 H new ATOM 0 HB3 ASP A 95 7.663 -7.270 1.601 1.00 50.51 H new ATOM 1590 N MET A 96 6.651 -5.748 3.587 1.00 51.14 N ATOM 1591 CA MET A 96 7.021 -5.254 4.921 1.00 43.11 C ATOM 1592 C MET A 96 5.783 -4.771 5.719 1.00 34.54 C ATOM 1593 O MET A 96 5.653 -5.109 6.880 1.00 34.22 O ATOM 1594 CB MET A 96 8.069 -4.112 4.782 1.00 52.24 C ATOM 1595 CG MET A 96 8.395 -3.373 6.094 1.00 31.23 C ATOM 1596 SD MET A 96 9.589 -2.033 5.912 1.00 73.01 S ATOM 1597 CE MET A 96 9.687 -1.423 7.604 1.00 33.41 C ATOM 0 H MET A 96 7.051 -5.194 2.829 1.00 51.14 H new ATOM 0 HA MET A 96 7.460 -6.079 5.482 1.00 43.11 H new ATOM 0 HB2 MET A 96 8.991 -4.531 4.378 1.00 52.24 H new ATOM 0 HB3 MET A 96 7.702 -3.388 4.055 1.00 52.24 H new ATOM 0 HG2 MET A 96 7.472 -2.968 6.509 1.00 31.23 H new ATOM 0 HG3 MET A 96 8.780 -4.092 6.817 1.00 31.23 H new ATOM 0 HE1 MET A 96 10.389 -0.590 7.650 1.00 33.41 H new ATOM 0 HE2 MET A 96 8.702 -1.086 7.927 1.00 33.41 H new ATOM 0 HE3 MET A 96 10.030 -2.223 8.260 1.00 33.41 H new ATOM 1607 N VAL A 97 4.877 -3.997 5.088 1.00 45.14 N ATOM 1608 CA VAL A 97 3.643 -3.471 5.763 1.00 55.13 C ATOM 1609 C VAL A 97 2.737 -4.618 6.297 1.00 52.43 C ATOM 1610 O VAL A 97 2.153 -4.518 7.389 1.00 14.33 O ATOM 1611 CB VAL A 97 2.837 -2.519 4.798 1.00 3.03 C ATOM 1612 CG1 VAL A 97 1.488 -2.042 5.408 1.00 32.53 C ATOM 1613 CG2 VAL A 97 3.713 -1.311 4.403 1.00 3.41 C ATOM 0 H VAL A 97 4.965 -3.715 4.112 1.00 45.14 H new ATOM 0 HA VAL A 97 3.969 -2.890 6.626 1.00 55.13 H new ATOM 0 HB VAL A 97 2.586 -3.096 3.908 1.00 3.03 H new ATOM 0 HG11 VAL A 97 0.978 -1.390 4.699 1.00 32.53 H new ATOM 0 HG12 VAL A 97 0.860 -2.907 5.623 1.00 32.53 H new ATOM 0 HG13 VAL A 97 1.679 -1.495 6.331 1.00 32.53 H new ATOM 0 HG21 VAL A 97 3.151 -0.657 3.736 1.00 3.41 H new ATOM 0 HG22 VAL A 97 3.997 -0.759 5.299 1.00 3.41 H new ATOM 0 HG23 VAL A 97 4.610 -1.663 3.894 1.00 3.41 H new ATOM 1623 N THR A 98 2.665 -5.713 5.520 1.00 32.41 N ATOM 1624 CA THR A 98 2.033 -6.981 5.956 1.00 42.21 C ATOM 1625 C THR A 98 2.788 -7.562 7.177 1.00 13.41 C ATOM 1626 O THR A 98 2.191 -7.867 8.219 1.00 43.32 O ATOM 1627 CB THR A 98 2.032 -8.040 4.792 1.00 62.45 C ATOM 1628 OG1 THR A 98 1.553 -7.441 3.576 1.00 45.01 O ATOM 1629 CG2 THR A 98 1.148 -9.257 5.128 1.00 62.04 C ATOM 0 H THR A 98 3.041 -5.749 4.573 1.00 32.41 H new ATOM 0 HA THR A 98 1.002 -6.763 6.233 1.00 42.21 H new ATOM 0 HB THR A 98 3.060 -8.380 4.665 1.00 62.45 H new ATOM 0 HG1 THR A 98 2.248 -6.860 3.202 1.00 45.01 H new ATOM 0 HG21 THR A 98 1.174 -9.965 4.300 1.00 62.04 H new ATOM 0 HG22 THR A 98 1.522 -9.740 6.030 1.00 62.04 H new ATOM 0 HG23 THR A 98 0.122 -8.927 5.292 1.00 62.04 H new ATOM 1637 N ARG A 99 4.125 -7.631 7.025 1.00 1.05 N ATOM 1638 CA ARG A 99 5.064 -8.166 8.034 1.00 0.04 C ATOM 1639 C ARG A 99 4.982 -7.413 9.387 1.00 30.12 C ATOM 1640 O ARG A 99 5.156 -8.026 10.432 1.00 23.55 O ATOM 1641 CB ARG A 99 6.515 -8.069 7.487 1.00 4.32 C ATOM 1642 CG ARG A 99 7.600 -8.727 8.369 1.00 30.24 C ATOM 1643 CD ARG A 99 9.028 -8.304 7.986 1.00 34.14 C ATOM 1644 NE ARG A 99 9.254 -6.864 8.211 1.00 32.02 N ATOM 1645 CZ ARG A 99 10.380 -6.226 7.994 1.00 75.24 C ATOM 1646 NH1 ARG A 99 11.426 -6.827 7.510 1.00 62.24 N ATOM 1647 NH2 ARG A 99 10.449 -4.969 8.279 1.00 31.14 N ATOM 0 H ARG A 99 4.594 -7.309 6.178 1.00 1.05 H new ATOM 0 HA ARG A 99 4.784 -9.203 8.219 1.00 0.04 H new ATOM 0 HB2 ARG A 99 6.545 -8.530 6.500 1.00 4.32 H new ATOM 0 HB3 ARG A 99 6.766 -7.017 7.356 1.00 4.32 H new ATOM 0 HG2 ARG A 99 7.418 -8.468 9.412 1.00 30.24 H new ATOM 0 HG3 ARG A 99 7.515 -9.811 8.291 1.00 30.24 H new ATOM 0 HD2 ARG A 99 9.746 -8.880 8.570 1.00 34.14 H new ATOM 0 HD3 ARG A 99 9.208 -8.540 6.937 1.00 34.14 H new ATOM 0 HE ARG A 99 8.469 -6.318 8.565 1.00 32.02 H new ATOM 0 HH11 ARG A 99 11.385 -7.822 7.288 1.00 62.24 H new ATOM 0 HH12 ARG A 99 12.287 -6.304 7.352 1.00 62.24 H new ATOM 0 HH21 ARG A 99 9.637 -4.488 8.666 1.00 31.14 H new ATOM 0 HH22 ARG A 99 11.316 -4.456 8.117 1.00 31.14 H new ATOM 1661 N GLU A 100 4.717 -6.091 9.343 1.00 15.51 N ATOM 1662 CA GLU A 100 4.679 -5.225 10.550 1.00 12.52 C ATOM 1663 C GLU A 100 3.557 -5.651 11.524 1.00 20.22 C ATOM 1664 O GLU A 100 3.766 -5.727 12.741 1.00 51.52 O ATOM 1665 CB GLU A 100 4.519 -3.724 10.156 1.00 12.32 C ATOM 1666 CG GLU A 100 5.645 -3.147 9.266 1.00 55.22 C ATOM 1667 CD GLU A 100 7.076 -3.497 9.737 1.00 43.41 C ATOM 1668 OE1 GLU A 100 7.610 -2.808 10.629 1.00 14.14 O ATOM 1669 OE2 GLU A 100 7.673 -4.472 9.221 1.00 43.10 O ATOM 0 H GLU A 100 4.523 -5.591 8.475 1.00 15.51 H new ATOM 0 HA GLU A 100 5.631 -5.348 11.066 1.00 12.52 H new ATOM 0 HB2 GLU A 100 3.569 -3.602 9.635 1.00 12.32 H new ATOM 0 HB3 GLU A 100 4.461 -3.131 11.069 1.00 12.32 H new ATOM 0 HG2 GLU A 100 5.511 -3.514 8.248 1.00 55.22 H new ATOM 0 HG3 GLU A 100 5.543 -2.062 9.230 1.00 55.22 H new ATOM 1676 N LEU A 101 2.367 -5.948 10.971 1.00 43.32 N ATOM 1677 CA LEU A 101 1.208 -6.407 11.768 1.00 4.24 C ATOM 1678 C LEU A 101 1.435 -7.861 12.266 1.00 52.24 C ATOM 1679 O LEU A 101 1.159 -8.181 13.425 1.00 42.23 O ATOM 1680 CB LEU A 101 -0.099 -6.275 10.920 1.00 72.43 C ATOM 1681 CG LEU A 101 -1.484 -6.355 11.671 1.00 33.55 C ATOM 1682 CD1 LEU A 101 -1.861 -7.792 12.097 1.00 5.55 C ATOM 1683 CD2 LEU A 101 -1.521 -5.386 12.875 1.00 71.51 C ATOM 0 H LEU A 101 2.180 -5.879 9.971 1.00 43.32 H new ATOM 0 HA LEU A 101 1.099 -5.778 12.652 1.00 4.24 H new ATOM 0 HB2 LEU A 101 -0.060 -5.321 10.394 1.00 72.43 H new ATOM 0 HB3 LEU A 101 -0.085 -7.058 10.162 1.00 72.43 H new ATOM 0 HG LEU A 101 -2.242 -6.042 10.953 1.00 33.55 H new ATOM 0 HD11 LEU A 101 -2.824 -7.779 12.608 1.00 5.55 H new ATOM 0 HD12 LEU A 101 -1.928 -8.428 11.214 1.00 5.55 H new ATOM 0 HD13 LEU A 101 -1.098 -8.184 12.770 1.00 5.55 H new ATOM 0 HD21 LEU A 101 -2.487 -5.462 13.374 1.00 71.51 H new ATOM 0 HD22 LEU A 101 -0.729 -5.647 13.577 1.00 71.51 H new ATOM 0 HD23 LEU A 101 -1.373 -4.364 12.525 1.00 71.51 H new ATOM 1695 N ASP A 102 1.950 -8.727 11.377 1.00 32.22 N ATOM 1696 CA ASP A 102 2.248 -10.143 11.706 1.00 42.44 C ATOM 1697 C ASP A 102 3.406 -10.278 12.733 1.00 32.41 C ATOM 1698 O ASP A 102 3.473 -11.264 13.464 1.00 24.31 O ATOM 1699 CB ASP A 102 2.547 -10.941 10.410 1.00 42.43 C ATOM 1700 CG ASP A 102 1.325 -11.018 9.469 1.00 64.54 C ATOM 1701 OD1 ASP A 102 0.245 -11.457 9.922 1.00 53.21 O ATOM 1702 OD2 ASP A 102 1.433 -10.650 8.282 1.00 3.01 O ATOM 0 H ASP A 102 2.172 -8.474 10.414 1.00 32.22 H new ATOM 0 HA ASP A 102 1.363 -10.566 12.181 1.00 42.44 H new ATOM 0 HB2 ASP A 102 3.379 -10.474 9.883 1.00 42.43 H new ATOM 0 HB3 ASP A 102 2.863 -11.950 10.673 1.00 42.43 H new ATOM 1707 N LYS A 103 4.300 -9.272 12.774 1.00 0.42 N ATOM 1708 CA LYS A 103 5.402 -9.176 13.763 1.00 51.12 C ATOM 1709 C LYS A 103 4.855 -8.722 15.138 1.00 61.24 C ATOM 1710 O LYS A 103 5.325 -9.174 16.190 1.00 2.02 O ATOM 1711 CB LYS A 103 6.484 -8.184 13.250 1.00 74.11 C ATOM 1712 CG LYS A 103 7.754 -8.070 14.119 1.00 22.11 C ATOM 1713 CD LYS A 103 8.545 -9.396 14.204 1.00 13.42 C ATOM 1714 CE LYS A 103 9.844 -9.259 15.011 1.00 51.22 C ATOM 1715 NZ LYS A 103 9.597 -8.829 16.412 1.00 33.13 N ATOM 0 H LYS A 103 4.281 -8.492 12.116 1.00 0.42 H new ATOM 0 HA LYS A 103 5.856 -10.159 13.886 1.00 51.12 H new ATOM 0 HB2 LYS A 103 6.780 -8.486 12.245 1.00 74.11 H new ATOM 0 HB3 LYS A 103 6.033 -7.195 13.166 1.00 74.11 H new ATOM 0 HG2 LYS A 103 8.400 -7.293 13.710 1.00 22.11 H new ATOM 0 HG3 LYS A 103 7.474 -7.755 15.124 1.00 22.11 H new ATOM 0 HD2 LYS A 103 7.917 -10.161 14.661 1.00 13.42 H new ATOM 0 HD3 LYS A 103 8.782 -9.738 13.197 1.00 13.42 H new ATOM 0 HE2 LYS A 103 10.369 -10.214 15.014 1.00 51.22 H new ATOM 0 HE3 LYS A 103 10.498 -8.537 14.522 1.00 51.22 H new ATOM 0 HZ1 LYS A 103 10.493 -8.832 16.939 1.00 33.13 H new ATOM 0 HZ2 LYS A 103 9.197 -7.869 16.415 1.00 33.13 H new ATOM 0 HZ3 LYS A 103 8.927 -9.484 16.863 1.00 33.13 H new ATOM 1729 N LYS A 104 3.854 -7.820 15.101 1.00 54.22 N ATOM 1730 CA LYS A 104 3.094 -7.388 16.298 1.00 43.03 C ATOM 1731 C LYS A 104 2.384 -8.593 16.977 1.00 52.12 C ATOM 1732 O LYS A 104 2.289 -8.661 18.211 1.00 71.41 O ATOM 1733 CB LYS A 104 2.067 -6.296 15.901 1.00 10.24 C ATOM 1734 CG LYS A 104 1.187 -5.791 17.065 1.00 62.22 C ATOM 1735 CD LYS A 104 0.204 -4.688 16.629 1.00 14.04 C ATOM 1736 CE LYS A 104 -0.743 -4.260 17.763 1.00 44.21 C ATOM 1737 NZ LYS A 104 -1.620 -5.380 18.214 1.00 4.03 N ATOM 0 H LYS A 104 3.547 -7.368 14.240 1.00 54.22 H new ATOM 0 HA LYS A 104 3.794 -6.970 17.022 1.00 43.03 H new ATOM 0 HB2 LYS A 104 2.603 -5.449 15.474 1.00 10.24 H new ATOM 0 HB3 LYS A 104 1.420 -6.691 15.118 1.00 10.24 H new ATOM 0 HG2 LYS A 104 0.627 -6.628 17.482 1.00 62.22 H new ATOM 0 HG3 LYS A 104 1.827 -5.409 17.860 1.00 62.22 H new ATOM 0 HD2 LYS A 104 0.766 -3.821 16.283 1.00 14.04 H new ATOM 0 HD3 LYS A 104 -0.385 -5.044 15.784 1.00 14.04 H new ATOM 0 HE2 LYS A 104 -0.157 -3.897 18.607 1.00 44.21 H new ATOM 0 HE3 LYS A 104 -1.362 -3.429 17.424 1.00 44.21 H new ATOM 0 HZ1 LYS A 104 -2.373 -5.006 18.827 1.00 4.03 H new ATOM 0 HZ2 LYS A 104 -2.046 -5.843 17.386 1.00 4.03 H new ATOM 0 HZ3 LYS A 104 -1.054 -6.072 18.745 1.00 4.03 H new ATOM 1751 N VAL A 105 1.884 -9.532 16.152 1.00 41.02 N ATOM 1752 CA VAL A 105 1.336 -10.821 16.630 1.00 33.30 C ATOM 1753 C VAL A 105 2.487 -11.713 17.181 1.00 21.51 C ATOM 1754 O VAL A 105 2.580 -11.955 18.389 1.00 74.15 O ATOM 1755 CB VAL A 105 0.562 -11.572 15.476 1.00 73.24 C ATOM 1756 CG1 VAL A 105 -0.028 -12.920 15.965 1.00 24.42 C ATOM 1757 CG2 VAL A 105 -0.541 -10.671 14.868 1.00 5.14 C ATOM 0 H VAL A 105 1.847 -9.422 15.139 1.00 41.02 H new ATOM 0 HA VAL A 105 0.626 -10.618 17.432 1.00 33.30 H new ATOM 0 HB VAL A 105 1.285 -11.797 14.692 1.00 73.24 H new ATOM 0 HG11 VAL A 105 -0.553 -13.407 15.143 1.00 24.42 H new ATOM 0 HG12 VAL A 105 0.779 -13.565 16.313 1.00 24.42 H new ATOM 0 HG13 VAL A 105 -0.725 -12.737 16.783 1.00 24.42 H new ATOM 0 HG21 VAL A 105 -1.058 -11.213 14.076 1.00 5.14 H new ATOM 0 HG22 VAL A 105 -1.255 -10.395 15.644 1.00 5.14 H new ATOM 0 HG23 VAL A 105 -0.088 -9.770 14.455 1.00 5.14 H new ATOM 1767 N SER A 106 3.368 -12.173 16.269 1.00 4.31 N ATOM 1768 CA SER A 106 4.597 -12.940 16.606 1.00 15.35 C ATOM 1769 C SER A 106 5.683 -12.688 15.534 1.00 62.41 C ATOM 1770 O SER A 106 6.681 -11.999 15.795 1.00 61.20 O ATOM 1771 CB SER A 106 4.311 -14.467 16.736 1.00 22.42 C ATOM 1772 OG SER A 106 3.395 -14.757 17.782 1.00 23.43 O ATOM 0 H SER A 106 3.250 -12.024 15.267 1.00 4.31 H new ATOM 0 HA SER A 106 4.953 -12.591 17.575 1.00 15.35 H new ATOM 0 HB2 SER A 106 3.912 -14.841 15.793 1.00 22.42 H new ATOM 0 HB3 SER A 106 5.247 -14.995 16.919 1.00 22.42 H new ATOM 0 HG SER A 106 3.120 -13.923 18.217 1.00 23.43 H new ATOM 1778 N GLY A 107 5.450 -13.229 14.315 1.00 62.13 N ATOM 1779 CA GLY A 107 6.370 -13.083 13.177 1.00 30.30 C ATOM 1780 C GLY A 107 7.730 -13.762 13.390 1.00 2.13 C ATOM 1781 O GLY A 107 7.885 -14.959 13.108 1.00 3.43 O ATOM 0 H GLY A 107 4.618 -13.778 14.099 1.00 62.13 H new ATOM 0 HA2 GLY A 107 5.901 -13.501 12.286 1.00 30.30 H new ATOM 0 HA3 GLY A 107 6.530 -12.022 12.985 1.00 30.30 H new ATOM 1785 N SER A 108 8.711 -12.965 13.879 1.00 32.34 N ATOM 1786 CA SER A 108 10.083 -13.412 14.251 1.00 44.35 C ATOM 1787 C SER A 108 10.942 -13.862 13.032 1.00 63.41 C ATOM 1788 O SER A 108 10.455 -13.972 11.900 1.00 23.01 O ATOM 1789 CB SER A 108 10.035 -14.517 15.346 1.00 74.33 C ATOM 1790 OG SER A 108 11.338 -14.884 15.791 1.00 61.23 O ATOM 0 H SER A 108 8.570 -11.966 14.031 1.00 32.34 H new ATOM 0 HA SER A 108 10.584 -12.536 14.663 1.00 44.35 H new ATOM 0 HB2 SER A 108 9.449 -14.162 16.194 1.00 74.33 H new ATOM 0 HB3 SER A 108 9.525 -15.396 14.952 1.00 74.33 H new ATOM 0 HG SER A 108 11.265 -15.578 16.479 1.00 61.23 H new ATOM 1796 N TYR A 109 12.240 -14.106 13.295 1.00 63.04 N ATOM 1797 CA TYR A 109 13.243 -14.487 12.274 1.00 45.42 C ATOM 1798 C TYR A 109 14.203 -15.571 12.844 1.00 65.02 C ATOM 1799 O TYR A 109 15.271 -15.265 13.374 1.00 20.30 O ATOM 1800 CB TYR A 109 14.003 -13.209 11.766 1.00 64.41 C ATOM 1801 CG TYR A 109 14.553 -12.282 12.887 1.00 72.03 C ATOM 1802 CD1 TYR A 109 13.710 -11.393 13.567 1.00 72.25 C ATOM 1803 CD2 TYR A 109 15.901 -12.312 13.274 1.00 2.00 C ATOM 1804 CE1 TYR A 109 14.186 -10.584 14.580 1.00 24.32 C ATOM 1805 CE2 TYR A 109 16.376 -11.508 14.289 1.00 54.13 C ATOM 1806 CZ TYR A 109 15.519 -10.645 14.939 1.00 32.04 C ATOM 1807 OH TYR A 109 15.996 -9.837 15.950 1.00 34.11 O ATOM 0 H TYR A 109 12.630 -14.044 14.235 1.00 63.04 H new ATOM 0 HA TYR A 109 12.744 -14.928 11.411 1.00 45.42 H new ATOM 0 HB2 TYR A 109 14.835 -13.526 11.137 1.00 64.41 H new ATOM 0 HB3 TYR A 109 13.328 -12.630 11.135 1.00 64.41 H new ATOM 0 HD1 TYR A 109 12.667 -11.339 13.293 1.00 72.25 H new ATOM 0 HD2 TYR A 109 16.582 -12.979 12.766 1.00 2.00 H new ATOM 0 HE1 TYR A 109 13.518 -9.906 15.090 1.00 24.32 H new ATOM 0 HE2 TYR A 109 17.417 -11.554 14.574 1.00 54.13 H new ATOM 0 HH TYR A 109 16.953 -10.004 16.078 1.00 34.11 H new ATOM 1817 N LEU A 110 13.789 -16.848 12.769 1.00 32.21 N ATOM 1818 CA LEU A 110 14.574 -17.976 13.324 1.00 20.10 C ATOM 1819 C LEU A 110 15.799 -18.258 12.413 1.00 23.24 C ATOM 1820 O LEU A 110 15.658 -18.786 11.307 1.00 14.03 O ATOM 1821 CB LEU A 110 13.664 -19.239 13.501 1.00 23.12 C ATOM 1822 CG LEU A 110 14.139 -20.346 14.523 1.00 2.05 C ATOM 1823 CD1 LEU A 110 12.989 -21.332 14.844 1.00 54.11 C ATOM 1824 CD2 LEU A 110 15.390 -21.124 14.034 1.00 53.10 C ATOM 0 H LEU A 110 12.913 -17.130 12.329 1.00 32.21 H new ATOM 0 HA LEU A 110 14.949 -17.712 14.313 1.00 20.10 H new ATOM 0 HB2 LEU A 110 12.675 -18.900 13.809 1.00 23.12 H new ATOM 0 HB3 LEU A 110 13.550 -19.710 12.525 1.00 23.12 H new ATOM 0 HG LEU A 110 14.425 -19.819 15.433 1.00 2.05 H new ATOM 0 HD11 LEU A 110 13.341 -22.084 15.550 1.00 54.11 H new ATOM 0 HD12 LEU A 110 12.154 -20.786 15.282 1.00 54.11 H new ATOM 0 HD13 LEU A 110 12.662 -21.820 13.926 1.00 54.11 H new ATOM 0 HD21 LEU A 110 15.668 -21.870 14.778 1.00 53.10 H new ATOM 0 HD22 LEU A 110 15.164 -21.620 13.090 1.00 53.10 H new ATOM 0 HD23 LEU A 110 16.217 -20.429 13.890 1.00 53.10 H new ATOM 1836 N VAL A 111 16.992 -17.876 12.895 1.00 71.34 N ATOM 1837 CA VAL A 111 18.271 -18.084 12.183 1.00 12.11 C ATOM 1838 C VAL A 111 18.986 -19.374 12.700 1.00 3.21 C ATOM 1839 O VAL A 111 18.912 -19.682 13.900 1.00 3.42 O ATOM 1840 CB VAL A 111 19.214 -16.821 12.340 1.00 41.13 C ATOM 1841 CG1 VAL A 111 18.591 -15.578 11.652 1.00 52.12 C ATOM 1842 CG2 VAL A 111 19.533 -16.523 13.831 1.00 44.02 C ATOM 0 H VAL A 111 17.101 -17.410 13.796 1.00 71.34 H new ATOM 0 HA VAL A 111 18.053 -18.215 11.123 1.00 12.11 H new ATOM 0 HB VAL A 111 20.156 -17.054 11.844 1.00 41.13 H new ATOM 0 HG11 VAL A 111 19.257 -14.723 11.773 1.00 52.12 H new ATOM 0 HG12 VAL A 111 18.451 -15.782 10.590 1.00 52.12 H new ATOM 0 HG13 VAL A 111 17.627 -15.355 12.108 1.00 52.12 H new ATOM 0 HG21 VAL A 111 20.182 -15.650 13.897 1.00 44.02 H new ATOM 0 HG22 VAL A 111 18.606 -16.327 14.369 1.00 44.02 H new ATOM 0 HG23 VAL A 111 20.035 -17.383 14.274 1.00 44.02 H new ATOM 1852 N PRO A 112 19.672 -20.164 11.805 1.00 35.24 N ATOM 1853 CA PRO A 112 20.433 -21.378 12.225 1.00 62.12 C ATOM 1854 C PRO A 112 21.828 -21.063 12.852 1.00 13.04 C ATOM 1855 O PRO A 112 22.546 -21.985 13.265 1.00 73.21 O ATOM 1856 CB PRO A 112 20.564 -22.166 10.898 1.00 14.14 C ATOM 1857 CG PRO A 112 20.624 -21.103 9.839 1.00 73.21 C ATOM 1858 CD PRO A 112 19.734 -19.969 10.326 1.00 34.51 C ATOM 0 HA PRO A 112 19.927 -21.925 13.021 1.00 62.12 H new ATOM 0 HB2 PRO A 112 21.461 -22.786 10.890 1.00 14.14 H new ATOM 0 HB3 PRO A 112 19.715 -22.832 10.745 1.00 14.14 H new ATOM 0 HG2 PRO A 112 21.647 -20.759 9.691 1.00 73.21 H new ATOM 0 HG3 PRO A 112 20.275 -21.488 8.881 1.00 73.21 H new ATOM 0 HD2 PRO A 112 20.152 -18.996 10.069 1.00 34.51 H new ATOM 0 HD3 PRO A 112 18.743 -20.019 9.875 1.00 34.51 H new ATOM 1866 N ARG A 113 22.197 -19.760 12.913 1.00 42.42 N ATOM 1867 CA ARG A 113 23.471 -19.286 13.514 1.00 32.34 C ATOM 1868 C ARG A 113 23.250 -17.971 14.345 1.00 21.24 C ATOM 1869 O ARG A 113 23.241 -18.040 15.597 1.00 37.38 O ATOM 1870 CB ARG A 113 24.572 -19.135 12.410 1.00 3.40 C ATOM 1871 CG ARG A 113 24.180 -18.278 11.177 1.00 51.23 C ATOM 1872 CD ARG A 113 25.312 -18.184 10.131 1.00 24.55 C ATOM 1873 NE ARG A 113 24.976 -17.259 9.030 1.00 60.15 N ATOM 1874 CZ ARG A 113 25.382 -17.371 7.779 1.00 35.24 C ATOM 1875 NH1 ARG A 113 26.034 -18.415 7.368 1.00 55.03 N ATOM 1876 NH2 ARG A 113 25.089 -16.451 6.931 1.00 14.34 N ATOM 1877 OXT ARG A 113 23.051 -16.880 13.755 1.00 37.38 O ATOM 0 H ARG A 113 21.618 -19.005 12.546 1.00 42.42 H new ATOM 0 HA ARG A 113 23.830 -20.034 14.221 1.00 32.34 H new ATOM 0 HB2 ARG A 113 25.459 -18.696 12.866 1.00 3.40 H new ATOM 0 HB3 ARG A 113 24.851 -20.130 12.063 1.00 3.40 H new ATOM 0 HG2 ARG A 113 23.294 -18.706 10.709 1.00 51.23 H new ATOM 0 HG3 ARG A 113 23.912 -17.274 11.508 1.00 51.23 H new ATOM 0 HD2 ARG A 113 26.228 -17.850 10.618 1.00 24.55 H new ATOM 0 HD3 ARG A 113 25.511 -19.175 9.723 1.00 24.55 H new ATOM 0 HE ARG A 113 24.378 -16.464 9.256 1.00 60.15 H new ATOM 0 HH11 ARG A 113 26.244 -19.173 8.017 1.00 55.03 H new ATOM 0 HH12 ARG A 113 26.337 -18.477 6.396 1.00 55.03 H new ATOM 0 HH21 ARG A 113 24.546 -15.640 7.226 1.00 14.34 H new ATOM 0 HH22 ARG A 113 25.400 -16.532 5.963 1.00 14.34 H new TER 1891 ARG A 113