USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 748 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 86 GLN : amide:sc= 0.829 K(o=1.8,f=-2.8) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 159:sc= 0.96 (180deg=0) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -10.1! C(o=-13!,f=-8.7!) USER MOD Set 2.2: A 61 TYR OH : rot -18:sc= -3.07! USER MOD Set 3.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 35 THR OG1 : rot 149:sc= 0.146 USER MOD Set 4.1: A 20 SER OG : rot -104:sc= -1.42 USER MOD Set 4.2: A 24 GLN : amide:sc= -3.12! C(o=-4.5!,f=-3.6!) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.103 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0823 K(o=-0.082,f=-6.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 170:sc= -0.273 USER MOD Single : A 28 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.05 K(o=-1.1,f=-3.5!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.652 K(o=0.65,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.512 K(o=-0.51,f=-4!) USER MOD Single : A 54 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=-0.084) USER MOD Single : A 55 ASN : amide:sc= -0.325 K(o=-0.33,f=-2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.21 K(o=-1.2,f=-7.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 63:sc= -0.116 USER MOD Single : A 81 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.8!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.877 18.252 -3.814 1.00 0.00 N ATOM 2 CA ALA A 1 -11.819 18.319 -2.767 1.00 0.00 C ATOM 3 C ALA A 1 -10.677 17.368 -3.134 1.00 0.00 C ATOM 4 O ALA A 1 -10.821 16.510 -3.981 1.00 0.00 O ATOM 5 CB ALA A 1 -12.410 17.910 -1.417 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.958 19.175 -4.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.626 17.526 -4.515 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.787 18.008 -3.373 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.437 19.338 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.636 17.959 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.223 18.588 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.793 16.892 -1.481 1.00 0.00 H new ATOM 13 N GLU A 2 -9.542 17.517 -2.506 1.00 0.00 N ATOM 14 CA GLU A 2 -8.391 16.624 -2.823 1.00 0.00 C ATOM 15 C GLU A 2 -8.299 15.510 -1.775 1.00 0.00 C ATOM 16 O GLU A 2 -7.638 14.511 -1.976 1.00 0.00 O ATOM 17 CB GLU A 2 -7.097 17.440 -2.816 1.00 0.00 C ATOM 18 CG GLU A 2 -6.933 18.154 -4.159 1.00 0.00 C ATOM 19 CD GLU A 2 -5.451 18.207 -4.533 1.00 0.00 C ATOM 20 OE1 GLU A 2 -4.726 18.955 -3.898 1.00 0.00 O ATOM 21 OE2 GLU A 2 -5.066 17.499 -5.449 1.00 0.00 O ATOM 0 H GLU A 2 -9.362 18.218 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.537 16.181 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.119 18.169 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.244 16.786 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.495 17.630 -4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.340 19.163 -4.098 1.00 0.00 H new ATOM 28 N VAL A 3 -8.955 15.675 -0.658 1.00 0.00 N ATOM 29 CA VAL A 3 -8.899 14.626 0.400 1.00 0.00 C ATOM 30 C VAL A 3 -10.005 13.594 0.160 1.00 0.00 C ATOM 31 O VAL A 3 -10.912 13.448 0.954 1.00 0.00 O ATOM 32 CB VAL A 3 -9.101 15.274 1.771 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.466 15.962 1.813 1.00 0.00 C ATOM 34 CG2 VAL A 3 -9.042 14.200 2.860 1.00 0.00 C ATOM 0 H VAL A 3 -9.526 16.489 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.928 14.132 0.367 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.315 16.009 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.611 16.424 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.511 16.728 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.250 15.225 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.186 14.663 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.827 13.464 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.070 13.707 2.832 1.00 0.00 H new ATOM 44 N ARG A 4 -9.938 12.876 -0.929 1.00 0.00 N ATOM 45 CA ARG A 4 -10.988 11.857 -1.208 1.00 0.00 C ATOM 46 C ARG A 4 -10.981 10.801 -0.097 1.00 0.00 C ATOM 47 O ARG A 4 -11.996 10.551 0.521 1.00 0.00 O ATOM 48 CB ARG A 4 -10.716 11.189 -2.559 1.00 0.00 C ATOM 49 CG ARG A 4 -11.754 11.655 -3.580 1.00 0.00 C ATOM 50 CD ARG A 4 -12.458 10.440 -4.185 1.00 0.00 C ATOM 51 NE ARG A 4 -13.857 10.801 -4.544 1.00 0.00 N ATOM 52 CZ ARG A 4 -14.396 10.315 -5.628 1.00 0.00 C ATOM 53 NH1 ARG A 4 -14.990 9.154 -5.599 1.00 0.00 N ATOM 54 NH2 ARG A 4 -14.340 10.991 -6.742 1.00 0.00 N ATOM 0 H ARG A 4 -9.205 12.951 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.964 12.342 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.713 11.440 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.755 10.105 -2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.482 12.309 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.271 12.237 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.921 10.099 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.456 9.614 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.393 11.427 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.033 8.625 -4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.411 8.775 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.875 11.899 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.761 10.612 -7.590 1.00 0.00 H new ATOM 68 N PRO A 5 -9.831 10.215 0.128 1.00 0.00 N ATOM 69 CA PRO A 5 -9.661 9.184 1.167 1.00 0.00 C ATOM 70 C PRO A 5 -9.543 9.838 2.549 1.00 0.00 C ATOM 71 O PRO A 5 -8.937 10.883 2.686 1.00 0.00 O ATOM 72 CB PRO A 5 -8.347 8.500 0.781 1.00 0.00 C ATOM 73 CG PRO A 5 -7.564 9.518 -0.082 1.00 0.00 C ATOM 74 CD PRO A 5 -8.597 10.522 -0.627 1.00 0.00 C ATOM 0 HA PRO A 5 -10.499 8.490 1.224 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -7.778 8.223 1.668 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.535 7.582 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.806 10.027 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.045 9.015 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.276 11.551 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.745 10.399 -1.700 1.00 0.00 H new ATOM 82 N PRO A 6 -10.123 9.201 3.534 1.00 0.00 N ATOM 83 CA PRO A 6 -10.094 9.695 4.921 1.00 0.00 C ATOM 84 C PRO A 6 -8.739 9.381 5.563 1.00 0.00 C ATOM 85 O PRO A 6 -7.914 10.253 5.750 1.00 0.00 O ATOM 86 CB PRO A 6 -11.218 8.911 5.604 1.00 0.00 C ATOM 87 CG PRO A 6 -11.440 7.637 4.754 1.00 0.00 C ATOM 88 CD PRO A 6 -10.858 7.932 3.358 1.00 0.00 C ATOM 0 HA PRO A 6 -10.228 10.774 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.945 8.653 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.130 9.506 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.945 6.778 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.501 7.395 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.197 7.132 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.645 8.028 2.610 1.00 0.00 H new ATOM 96 N PHE A 7 -8.506 8.142 5.896 1.00 0.00 N ATOM 97 CA PHE A 7 -7.204 7.770 6.521 1.00 0.00 C ATOM 98 C PHE A 7 -6.949 6.275 6.313 1.00 0.00 C ATOM 99 O PHE A 7 -6.189 5.660 7.033 1.00 0.00 O ATOM 100 CB PHE A 7 -7.250 8.080 8.018 1.00 0.00 C ATOM 101 CG PHE A 7 -8.146 7.083 8.715 1.00 0.00 C ATOM 102 CD1 PHE A 7 -9.535 7.253 8.691 1.00 0.00 C ATOM 103 CD2 PHE A 7 -7.586 5.986 9.382 1.00 0.00 C ATOM 104 CE1 PHE A 7 -10.364 6.329 9.335 1.00 0.00 C ATOM 105 CE2 PHE A 7 -8.416 5.062 10.027 1.00 0.00 C ATOM 106 CZ PHE A 7 -9.805 5.233 10.003 1.00 0.00 C ATOM 0 H PHE A 7 -9.160 7.371 5.763 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.400 8.343 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.246 8.038 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.621 9.092 8.179 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.967 8.098 8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.514 5.853 9.399 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -11.436 6.461 9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.985 4.217 10.543 1.00 0.00 H new ATOM 0 HZ PHE A 7 -10.446 4.519 10.500 1.00 0.00 H new ATOM 116 N THR A 8 -7.581 5.687 5.335 1.00 0.00 N ATOM 117 CA THR A 8 -7.377 4.232 5.081 1.00 0.00 C ATOM 118 C THR A 8 -6.279 4.042 4.034 1.00 0.00 C ATOM 119 O THR A 8 -6.511 3.498 2.972 1.00 0.00 O ATOM 120 CB THR A 8 -8.682 3.619 4.568 1.00 0.00 C ATOM 121 OG1 THR A 8 -9.615 4.655 4.295 1.00 0.00 O ATOM 122 CG2 THR A 8 -9.258 2.678 5.627 1.00 0.00 C ATOM 0 H THR A 8 -8.230 6.151 4.700 1.00 0.00 H new ATOM 0 HA THR A 8 -7.081 3.740 6.008 1.00 0.00 H new ATOM 0 HB THR A 8 -8.485 3.057 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.451 4.264 3.965 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.187 2.242 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.542 1.883 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.456 3.237 6.542 1.00 0.00 H new ATOM 130 N TYR A 9 -5.084 4.480 4.321 1.00 0.00 N ATOM 131 CA TYR A 9 -3.978 4.317 3.336 1.00 0.00 C ATOM 132 C TYR A 9 -3.841 2.838 2.973 1.00 0.00 C ATOM 133 O TYR A 9 -3.254 2.487 1.968 1.00 0.00 O ATOM 134 CB TYR A 9 -2.666 4.820 3.945 1.00 0.00 C ATOM 135 CG TYR A 9 -2.541 6.304 3.705 1.00 0.00 C ATOM 136 CD1 TYR A 9 -3.664 7.130 3.831 1.00 0.00 C ATOM 137 CD2 TYR A 9 -1.303 6.855 3.353 1.00 0.00 C ATOM 138 CE1 TYR A 9 -3.550 8.506 3.605 1.00 0.00 C ATOM 139 CE2 TYR A 9 -1.189 8.233 3.125 1.00 0.00 C ATOM 140 CZ TYR A 9 -2.313 9.058 3.252 1.00 0.00 C ATOM 141 OH TYR A 9 -2.202 10.415 3.028 1.00 0.00 O ATOM 0 H TYR A 9 -4.826 4.943 5.193 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.201 4.895 2.439 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.644 4.610 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.821 4.296 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.619 6.705 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.436 6.218 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.417 9.143 3.703 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.235 8.658 2.851 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.857 10.892 3.579 1.00 0.00 H new ATOM 151 N ALA A 10 -4.382 1.966 3.779 1.00 0.00 N ATOM 152 CA ALA A 10 -4.284 0.511 3.476 1.00 0.00 C ATOM 153 C ALA A 10 -4.873 0.247 2.090 1.00 0.00 C ATOM 154 O ALA A 10 -4.379 -0.570 1.338 1.00 0.00 O ATOM 155 CB ALA A 10 -5.066 -0.284 4.523 1.00 0.00 C ATOM 0 H ALA A 10 -4.887 2.199 4.634 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.239 0.202 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.994 -1.349 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.650 -0.091 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.112 0.020 4.504 1.00 0.00 H new ATOM 161 N SER A 11 -5.927 0.935 1.745 1.00 0.00 N ATOM 162 CA SER A 11 -6.546 0.728 0.407 1.00 0.00 C ATOM 163 C SER A 11 -5.635 1.323 -0.669 1.00 0.00 C ATOM 164 O SER A 11 -5.336 0.689 -1.662 1.00 0.00 O ATOM 165 CB SER A 11 -7.910 1.419 0.367 1.00 0.00 C ATOM 166 OG SER A 11 -8.931 0.443 0.520 1.00 0.00 O ATOM 0 H SER A 11 -6.386 1.631 2.333 1.00 0.00 H new ATOM 0 HA SER A 11 -6.676 -0.338 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.978 2.162 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.035 1.949 -0.577 1.00 0.00 H new ATOM 0 HG SER A 11 -9.808 0.880 0.497 1.00 0.00 H new ATOM 172 N LEU A 12 -5.187 2.536 -0.479 1.00 0.00 N ATOM 173 CA LEU A 12 -4.291 3.165 -1.489 1.00 0.00 C ATOM 174 C LEU A 12 -3.105 2.237 -1.756 1.00 0.00 C ATOM 175 O LEU A 12 -2.706 2.030 -2.886 1.00 0.00 O ATOM 176 CB LEU A 12 -3.779 4.507 -0.958 1.00 0.00 C ATOM 177 CG LEU A 12 -4.922 5.523 -0.956 1.00 0.00 C ATOM 178 CD1 LEU A 12 -4.659 6.590 0.107 1.00 0.00 C ATOM 179 CD2 LEU A 12 -5.015 6.189 -2.331 1.00 0.00 C ATOM 0 H LEU A 12 -5.403 3.116 0.331 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.844 3.331 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.385 4.385 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.959 4.867 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.859 5.012 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.475 7.313 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.593 6.118 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.722 7.101 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.830 6.913 -2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.077 6.698 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.205 5.431 -3.091 1.00 0.00 H new ATOM 191 N ILE A 13 -2.539 1.671 -0.724 1.00 0.00 N ATOM 192 CA ILE A 13 -1.383 0.752 -0.920 1.00 0.00 C ATOM 193 C ILE A 13 -1.801 -0.386 -1.852 1.00 0.00 C ATOM 194 O ILE A 13 -1.094 -0.740 -2.774 1.00 0.00 O ATOM 195 CB ILE A 13 -0.954 0.178 0.430 1.00 0.00 C ATOM 196 CG1 ILE A 13 -0.553 1.323 1.363 1.00 0.00 C ATOM 197 CG2 ILE A 13 0.240 -0.758 0.233 1.00 0.00 C ATOM 198 CD1 ILE A 13 -0.929 0.967 2.803 1.00 0.00 C ATOM 0 H ILE A 13 -2.827 1.806 0.245 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.549 1.298 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.783 -0.379 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.519 1.506 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.054 2.243 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.545 -1.167 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.043 -1.573 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.070 -0.202 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.643 1.783 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.005 0.806 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.407 0.058 3.101 1.00 0.00 H new ATOM 210 N ARG A 14 -2.950 -0.957 -1.617 1.00 0.00 N ATOM 211 CA ARG A 14 -3.423 -2.070 -2.486 1.00 0.00 C ATOM 212 C ARG A 14 -3.510 -1.584 -3.935 1.00 0.00 C ATOM 213 O ARG A 14 -3.183 -2.299 -4.862 1.00 0.00 O ATOM 214 CB ARG A 14 -4.806 -2.524 -2.010 1.00 0.00 C ATOM 215 CG ARG A 14 -5.282 -3.714 -2.851 1.00 0.00 C ATOM 216 CD ARG A 14 -5.906 -3.222 -4.162 1.00 0.00 C ATOM 217 NE ARG A 14 -6.631 -1.941 -3.931 1.00 0.00 N ATOM 218 CZ ARG A 14 -7.824 -1.950 -3.402 1.00 0.00 C ATOM 219 NH1 ARG A 14 -8.826 -2.464 -4.063 1.00 0.00 N ATOM 220 NH2 ARG A 14 -8.017 -1.444 -2.216 1.00 0.00 N ATOM 0 H ARG A 14 -3.583 -0.700 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.725 -2.905 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.764 -2.805 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.517 -1.702 -2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.443 -4.376 -3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.012 -4.297 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.129 -3.080 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.593 -3.973 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.194 -1.055 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.676 -2.858 -4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.759 -2.472 -3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.235 -1.040 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.950 -1.452 -1.804 1.00 0.00 H new ATOM 234 N GLN A 15 -3.948 -0.371 -4.138 1.00 0.00 N ATOM 235 CA GLN A 15 -4.062 0.161 -5.523 1.00 0.00 C ATOM 236 C GLN A 15 -2.694 0.123 -6.212 1.00 0.00 C ATOM 237 O GLN A 15 -2.534 -0.482 -7.253 1.00 0.00 O ATOM 238 CB GLN A 15 -4.574 1.601 -5.477 1.00 0.00 C ATOM 239 CG GLN A 15 -6.060 1.622 -5.841 1.00 0.00 C ATOM 240 CD GLN A 15 -6.897 1.812 -4.573 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.042 0.898 -3.785 1.00 0.00 O ATOM 242 NE2 GLN A 15 -7.459 2.968 -4.344 1.00 0.00 N ATOM 0 H GLN A 15 -4.232 0.275 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.762 -0.456 -6.087 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.426 2.020 -4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.009 2.222 -6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.261 2.429 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.337 0.691 -6.335 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.337 3.735 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.020 3.105 -3.503 1.00 0.00 H new ATOM 251 N ALA A 16 -1.704 0.762 -5.647 1.00 0.00 N ATOM 252 CA ALA A 16 -0.358 0.753 -6.287 1.00 0.00 C ATOM 253 C ALA A 16 0.051 -0.692 -6.579 1.00 0.00 C ATOM 254 O ALA A 16 0.501 -1.017 -7.660 1.00 0.00 O ATOM 255 CB ALA A 16 0.662 1.389 -5.341 1.00 0.00 C ATOM 0 H ALA A 16 -1.769 1.287 -4.775 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.392 1.320 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.646 1.382 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.369 2.417 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.699 0.822 -4.411 1.00 0.00 H new ATOM 261 N ILE A 17 -0.111 -1.563 -5.623 1.00 0.00 N ATOM 262 CA ILE A 17 0.256 -2.990 -5.836 1.00 0.00 C ATOM 263 C ILE A 17 -0.638 -3.583 -6.928 1.00 0.00 C ATOM 264 O ILE A 17 -0.191 -4.333 -7.771 1.00 0.00 O ATOM 265 CB ILE A 17 0.057 -3.749 -4.525 1.00 0.00 C ATOM 266 CG1 ILE A 17 1.105 -3.275 -3.515 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.220 -5.253 -4.761 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.730 -3.767 -2.119 1.00 0.00 C ATOM 0 H ILE A 17 -0.484 -1.346 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 17 1.297 -3.071 -6.148 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.945 -3.558 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.089 -3.653 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.167 -2.187 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.077 -5.786 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.521 -5.590 -5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.220 -5.455 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.477 -3.429 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.246 -3.368 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.691 -4.856 -2.116 1.00 0.00 H new ATOM 280 N LEU A 18 -1.899 -3.243 -6.924 1.00 0.00 N ATOM 281 CA LEU A 18 -2.822 -3.778 -7.963 1.00 0.00 C ATOM 282 C LEU A 18 -2.295 -3.404 -9.350 1.00 0.00 C ATOM 283 O LEU A 18 -2.650 -4.006 -10.344 1.00 0.00 O ATOM 284 CB LEU A 18 -4.214 -3.167 -7.768 1.00 0.00 C ATOM 285 CG LEU A 18 -5.232 -4.274 -7.496 1.00 0.00 C ATOM 286 CD1 LEU A 18 -5.431 -5.111 -8.761 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.723 -5.171 -6.367 1.00 0.00 C ATOM 0 H LEU A 18 -2.329 -2.616 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.883 -4.863 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.199 -2.462 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.502 -2.605 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.182 -3.826 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.157 -5.900 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.797 -4.473 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.481 -5.557 -9.055 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.450 -5.960 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.772 -5.617 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.584 -4.576 -5.464 1.00 0.00 H new ATOM 299 N GLU A 19 -1.452 -2.411 -9.424 1.00 0.00 N ATOM 300 CA GLU A 19 -0.903 -1.993 -10.745 1.00 0.00 C ATOM 301 C GLU A 19 0.073 -3.055 -11.254 1.00 0.00 C ATOM 302 O GLU A 19 0.411 -3.094 -12.420 1.00 0.00 O ATOM 303 CB GLU A 19 -0.167 -0.661 -10.592 1.00 0.00 C ATOM 304 CG GLU A 19 0.448 -0.258 -11.934 1.00 0.00 C ATOM 305 CD GLU A 19 0.940 1.188 -11.856 1.00 0.00 C ATOM 306 OE1 GLU A 19 0.197 2.020 -11.359 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.050 1.440 -12.295 1.00 0.00 O ATOM 0 H GLU A 19 -1.119 -1.870 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.721 -1.880 -11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.857 0.110 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.612 -0.749 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.276 -0.922 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.290 -0.360 -12.730 1.00 0.00 H new ATOM 314 N SER A 20 0.533 -3.915 -10.388 1.00 0.00 N ATOM 315 CA SER A 20 1.491 -4.969 -10.824 1.00 0.00 C ATOM 316 C SER A 20 0.717 -6.183 -11.348 1.00 0.00 C ATOM 317 O SER A 20 -0.466 -6.315 -11.102 1.00 0.00 O ATOM 318 CB SER A 20 2.357 -5.386 -9.636 1.00 0.00 C ATOM 319 OG SER A 20 1.700 -6.417 -8.912 1.00 0.00 O ATOM 0 H SER A 20 0.287 -3.933 -9.398 1.00 0.00 H new ATOM 0 HA SER A 20 2.126 -4.578 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.329 -5.734 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.539 -4.530 -8.987 1.00 0.00 H new ATOM 0 HG SER A 20 1.317 -6.046 -8.090 1.00 0.00 H new ATOM 325 N PRO A 21 1.413 -7.035 -12.059 1.00 0.00 N ATOM 326 CA PRO A 21 0.823 -8.255 -12.639 1.00 0.00 C ATOM 327 C PRO A 21 0.662 -9.333 -11.563 1.00 0.00 C ATOM 328 O PRO A 21 -0.393 -9.914 -11.405 1.00 0.00 O ATOM 329 CB PRO A 21 1.847 -8.680 -13.696 1.00 0.00 C ATOM 330 CG PRO A 21 3.193 -8.039 -13.281 1.00 0.00 C ATOM 331 CD PRO A 21 2.851 -6.861 -12.350 1.00 0.00 C ATOM 0 HA PRO A 21 -0.171 -8.097 -13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.931 -9.766 -13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.545 -8.342 -14.687 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.827 -8.765 -12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.744 -7.694 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.448 -6.888 -11.438 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.047 -5.903 -12.831 1.00 0.00 H new ATOM 339 N GLU A 22 1.702 -9.603 -10.820 1.00 0.00 N ATOM 340 CA GLU A 22 1.612 -10.636 -9.757 1.00 0.00 C ATOM 341 C GLU A 22 1.116 -9.989 -8.459 1.00 0.00 C ATOM 342 O GLU A 22 1.278 -10.529 -7.383 1.00 0.00 O ATOM 343 CB GLU A 22 2.992 -11.256 -9.530 1.00 0.00 C ATOM 344 CG GLU A 22 3.408 -12.046 -10.772 1.00 0.00 C ATOM 345 CD GLU A 22 4.513 -11.287 -11.512 1.00 0.00 C ATOM 346 OE1 GLU A 22 5.129 -10.431 -10.898 1.00 0.00 O ATOM 347 OE2 GLU A 22 4.722 -11.574 -12.678 1.00 0.00 O ATOM 0 H GLU A 22 2.611 -9.149 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 22 0.913 -11.415 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.723 -10.475 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.969 -11.912 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.762 -13.036 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.550 -12.192 -11.428 1.00 0.00 H new ATOM 354 N LYS A 23 0.515 -8.834 -8.556 1.00 0.00 N ATOM 355 CA LYS A 23 0.005 -8.142 -7.338 1.00 0.00 C ATOM 356 C LYS A 23 1.128 -7.996 -6.314 1.00 0.00 C ATOM 357 O LYS A 23 0.903 -8.032 -5.122 1.00 0.00 O ATOM 358 CB LYS A 23 -1.142 -8.949 -6.729 1.00 0.00 C ATOM 359 CG LYS A 23 -1.815 -8.128 -5.628 1.00 0.00 C ATOM 360 CD LYS A 23 -3.278 -7.880 -5.999 1.00 0.00 C ATOM 361 CE LYS A 23 -4.078 -9.174 -5.827 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.749 -9.516 -7.114 1.00 0.00 N ATOM 0 H LYS A 23 0.355 -8.337 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.357 -7.152 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.868 -9.208 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.764 -9.886 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.755 -8.657 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.296 -7.179 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.696 -7.096 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.348 -7.531 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.417 -9.985 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.820 -9.054 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.293 -10.395 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.391 -8.745 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.032 -9.647 -7.855 1.00 0.00 H new ATOM 376 N GLN A 24 2.333 -7.819 -6.770 1.00 0.00 N ATOM 377 CA GLN A 24 3.473 -7.661 -5.822 1.00 0.00 C ATOM 378 C GLN A 24 4.207 -6.366 -6.128 1.00 0.00 C ATOM 379 O GLN A 24 4.348 -5.975 -7.270 1.00 0.00 O ATOM 380 CB GLN A 24 4.463 -8.830 -5.946 1.00 0.00 C ATOM 381 CG GLN A 24 4.316 -9.537 -7.301 1.00 0.00 C ATOM 382 CD GLN A 24 5.253 -8.886 -8.321 1.00 0.00 C ATOM 383 OE1 GLN A 24 6.358 -9.349 -8.529 1.00 0.00 O ATOM 384 NE2 GLN A 24 4.858 -7.827 -8.973 1.00 0.00 N ATOM 0 H GLN A 24 2.581 -7.776 -7.758 1.00 0.00 H new ATOM 0 HA GLN A 24 3.073 -7.645 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.482 -8.461 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.291 -9.543 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.553 -10.596 -7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.284 -9.473 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.931 -7.437 -8.800 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.476 -7.389 -9.656 1.00 0.00 H new ATOM 393 N LEU A 25 4.681 -5.692 -5.120 1.00 0.00 N ATOM 394 CA LEU A 25 5.403 -4.430 -5.372 1.00 0.00 C ATOM 395 C LEU A 25 6.288 -4.071 -4.183 1.00 0.00 C ATOM 396 O LEU A 25 5.865 -4.108 -3.049 1.00 0.00 O ATOM 397 CB LEU A 25 4.391 -3.315 -5.619 1.00 0.00 C ATOM 398 CG LEU A 25 4.246 -3.073 -7.122 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.294 -1.900 -7.362 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.614 -2.749 -7.722 1.00 0.00 C ATOM 0 H LEU A 25 4.598 -5.963 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 25 6.039 -4.553 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.426 -3.585 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.716 -2.400 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 25 3.845 -3.969 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.191 -1.728 -8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.318 -2.131 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.694 -1.004 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.510 -2.577 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.016 -1.854 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.293 -3.585 -7.553 1.00 0.00 H new ATOM 412 N THR A 26 7.522 -3.726 -4.435 1.00 0.00 N ATOM 413 CA THR A 26 8.443 -3.369 -3.317 1.00 0.00 C ATOM 414 C THR A 26 7.924 -2.124 -2.598 1.00 0.00 C ATOM 415 O THR A 26 7.135 -1.369 -3.131 1.00 0.00 O ATOM 416 CB THR A 26 9.843 -3.090 -3.873 1.00 0.00 C ATOM 417 OG1 THR A 26 9.811 -1.904 -4.656 1.00 0.00 O ATOM 418 CG2 THR A 26 10.295 -4.266 -4.740 1.00 0.00 C ATOM 0 H THR A 26 7.933 -3.676 -5.367 1.00 0.00 H new ATOM 0 HA THR A 26 8.490 -4.200 -2.613 1.00 0.00 H new ATOM 0 HB THR A 26 10.544 -2.962 -3.048 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.726 -1.634 -4.879 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.291 -4.065 -5.135 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.319 -5.174 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.597 -4.398 -5.567 1.00 0.00 H new ATOM 426 N LEU A 27 8.363 -1.905 -1.390 1.00 0.00 N ATOM 427 CA LEU A 27 7.899 -0.710 -0.631 1.00 0.00 C ATOM 428 C LEU A 27 8.370 0.560 -1.342 1.00 0.00 C ATOM 429 O LEU A 27 7.614 1.491 -1.538 1.00 0.00 O ATOM 430 CB LEU A 27 8.481 -0.750 0.784 1.00 0.00 C ATOM 431 CG LEU A 27 7.354 -0.970 1.794 1.00 0.00 C ATOM 432 CD1 LEU A 27 7.942 -1.480 3.111 1.00 0.00 C ATOM 433 CD2 LEU A 27 6.625 0.353 2.042 1.00 0.00 C ATOM 0 H LEU A 27 9.024 -2.503 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 27 6.810 -0.712 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.216 -1.551 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.001 0.183 1.001 1.00 0.00 H new ATOM 0 HG LEU A 27 6.652 -1.704 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.139 -1.637 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.462 -2.422 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.644 -0.745 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.822 0.196 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.328 1.087 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.206 0.719 1.105 1.00 0.00 H new ATOM 445 N ASN A 28 9.615 0.608 -1.728 1.00 0.00 N ATOM 446 CA ASN A 28 10.133 1.820 -2.426 1.00 0.00 C ATOM 447 C ASN A 28 9.269 2.112 -3.654 1.00 0.00 C ATOM 448 O ASN A 28 8.911 3.244 -3.917 1.00 0.00 O ATOM 449 CB ASN A 28 11.578 1.574 -2.868 1.00 0.00 C ATOM 450 CG ASN A 28 12.367 2.884 -2.797 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.409 2.946 -2.177 1.00 0.00 O ATOM 452 ND2 ASN A 28 11.909 3.942 -3.411 1.00 0.00 N ATOM 0 H ASN A 28 10.296 -0.139 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 28 10.098 2.672 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.042 0.823 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.596 1.181 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.427 4.820 -3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.034 3.890 -3.932 1.00 0.00 H new ATOM 459 N GLU A 29 8.936 1.104 -4.411 1.00 0.00 N ATOM 460 CA GLU A 29 8.102 1.327 -5.625 1.00 0.00 C ATOM 461 C GLU A 29 6.776 1.984 -5.232 1.00 0.00 C ATOM 462 O GLU A 29 6.363 2.965 -5.820 1.00 0.00 O ATOM 463 CB GLU A 29 7.826 -0.015 -6.310 1.00 0.00 C ATOM 464 CG GLU A 29 9.009 -0.381 -7.209 1.00 0.00 C ATOM 465 CD GLU A 29 8.650 -1.600 -8.061 1.00 0.00 C ATOM 466 OE1 GLU A 29 8.478 -2.665 -7.494 1.00 0.00 O ATOM 467 OE2 GLU A 29 8.553 -1.447 -9.267 1.00 0.00 O ATOM 0 H GLU A 29 9.205 0.135 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 29 8.637 1.983 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.670 -0.792 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.912 0.047 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.264 0.462 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.888 -0.596 -6.601 1.00 0.00 H new ATOM 474 N ILE A 30 6.100 1.456 -4.247 1.00 0.00 N ATOM 475 CA ILE A 30 4.801 2.059 -3.832 1.00 0.00 C ATOM 476 C ILE A 30 5.021 3.527 -3.442 1.00 0.00 C ATOM 477 O ILE A 30 4.236 4.391 -3.775 1.00 0.00 O ATOM 478 CB ILE A 30 4.214 1.254 -2.655 1.00 0.00 C ATOM 479 CG1 ILE A 30 2.692 1.199 -2.796 1.00 0.00 C ATOM 480 CG2 ILE A 30 4.576 1.897 -1.310 1.00 0.00 C ATOM 481 CD1 ILE A 30 2.289 -0.129 -3.438 1.00 0.00 C ATOM 0 H ILE A 30 6.390 0.636 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 30 4.092 2.025 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 30 4.634 0.249 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.221 1.300 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.342 2.032 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.149 1.308 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.660 1.930 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.177 2.910 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.204 -0.170 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.749 -0.211 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.626 -0.954 -2.810 1.00 0.00 H new ATOM 493 N TYR A 31 6.087 3.812 -2.744 1.00 0.00 N ATOM 494 CA TYR A 31 6.357 5.222 -2.341 1.00 0.00 C ATOM 495 C TYR A 31 6.375 6.100 -3.592 1.00 0.00 C ATOM 496 O TYR A 31 5.837 7.190 -3.607 1.00 0.00 O ATOM 497 CB TYR A 31 7.717 5.294 -1.634 1.00 0.00 C ATOM 498 CG TYR A 31 8.200 6.725 -1.585 1.00 0.00 C ATOM 499 CD1 TYR A 31 7.573 7.651 -0.743 1.00 0.00 C ATOM 500 CD2 TYR A 31 9.280 7.124 -2.383 1.00 0.00 C ATOM 501 CE1 TYR A 31 8.026 8.976 -0.698 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.732 8.448 -2.339 1.00 0.00 C ATOM 503 CZ TYR A 31 9.105 9.374 -1.497 1.00 0.00 C ATOM 504 OH TYR A 31 9.553 10.679 -1.452 1.00 0.00 O ATOM 0 H TYR A 31 6.781 3.131 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 31 5.581 5.573 -1.661 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.632 4.896 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.443 4.675 -2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.740 7.344 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.764 6.410 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 31 7.543 9.690 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.564 8.755 -2.955 1.00 0.00 H new ATOM 0 HH TYR A 31 10.309 10.787 -2.067 1.00 0.00 H new ATOM 514 N ASN A 32 6.984 5.631 -4.645 1.00 0.00 N ATOM 515 CA ASN A 32 7.031 6.433 -5.898 1.00 0.00 C ATOM 516 C ASN A 32 5.603 6.767 -6.334 1.00 0.00 C ATOM 517 O ASN A 32 5.300 7.886 -6.700 1.00 0.00 O ATOM 518 CB ASN A 32 7.725 5.623 -6.994 1.00 0.00 C ATOM 519 CG ASN A 32 7.917 6.498 -8.234 1.00 0.00 C ATOM 520 OD1 ASN A 32 7.227 7.483 -8.411 1.00 0.00 O ATOM 521 ND2 ASN A 32 8.833 6.178 -9.108 1.00 0.00 N ATOM 0 H ASN A 32 7.452 4.726 -4.692 1.00 0.00 H new ATOM 0 HA ASN A 32 7.586 7.355 -5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.690 5.262 -6.638 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.129 4.745 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.969 6.754 -9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.412 5.352 -8.960 1.00 0.00 H new ATOM 528 N TRP A 33 4.722 5.805 -6.296 1.00 0.00 N ATOM 529 CA TRP A 33 3.315 6.062 -6.705 1.00 0.00 C ATOM 530 C TRP A 33 2.673 7.048 -5.726 1.00 0.00 C ATOM 531 O TRP A 33 1.982 7.968 -6.116 1.00 0.00 O ATOM 532 CB TRP A 33 2.531 4.743 -6.690 1.00 0.00 C ATOM 533 CG TRP A 33 1.062 5.027 -6.761 1.00 0.00 C ATOM 534 CD1 TRP A 33 0.405 5.451 -7.865 1.00 0.00 C ATOM 535 CD2 TRP A 33 0.062 4.919 -5.706 1.00 0.00 C ATOM 536 NE1 TRP A 33 -0.934 5.611 -7.554 1.00 0.00 N ATOM 537 CE2 TRP A 33 -1.195 5.295 -6.236 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.123 4.536 -4.354 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -2.351 5.290 -5.452 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -1.037 4.530 -3.562 1.00 0.00 C ATOM 541 CH2 TRP A 33 -2.271 4.906 -4.110 1.00 0.00 C ATOM 0 H TRP A 33 4.918 4.849 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 33 3.298 6.484 -7.710 1.00 0.00 H new ATOM 0 HB2 TRP A 33 2.832 4.121 -7.533 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.759 4.183 -5.783 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.852 5.635 -8.831 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -1.642 5.924 -8.218 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.069 4.244 -3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.299 5.581 -5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.978 4.234 -2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.159 4.899 -3.496 1.00 0.00 H new ATOM 552 N PHE A 34 2.888 6.856 -4.454 1.00 0.00 N ATOM 553 CA PHE A 34 2.284 7.770 -3.445 1.00 0.00 C ATOM 554 C PHE A 34 2.610 9.230 -3.779 1.00 0.00 C ATOM 555 O PHE A 34 1.730 10.032 -4.024 1.00 0.00 O ATOM 556 CB PHE A 34 2.846 7.439 -2.064 1.00 0.00 C ATOM 557 CG PHE A 34 1.929 6.471 -1.358 1.00 0.00 C ATOM 558 CD1 PHE A 34 1.975 5.109 -1.673 1.00 0.00 C ATOM 559 CD2 PHE A 34 1.031 6.936 -0.390 1.00 0.00 C ATOM 560 CE1 PHE A 34 1.124 4.210 -1.020 1.00 0.00 C ATOM 561 CE2 PHE A 34 0.179 6.037 0.264 1.00 0.00 C ATOM 562 CZ PHE A 34 0.226 4.674 -0.051 1.00 0.00 C ATOM 0 H PHE A 34 3.458 6.103 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 34 1.202 7.636 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.842 7.006 -2.161 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.950 8.351 -1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.667 4.751 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.995 7.988 -0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.160 3.158 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.514 6.395 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.430 3.980 0.453 1.00 0.00 H new ATOM 572 N THR A 35 3.865 9.586 -3.771 1.00 0.00 N ATOM 573 CA THR A 35 4.247 10.998 -4.067 1.00 0.00 C ATOM 574 C THR A 35 3.749 11.397 -5.457 1.00 0.00 C ATOM 575 O THR A 35 3.173 12.451 -5.641 1.00 0.00 O ATOM 576 CB THR A 35 5.771 11.132 -4.014 1.00 0.00 C ATOM 577 OG1 THR A 35 6.238 10.696 -2.745 1.00 0.00 O ATOM 578 CG2 THR A 35 6.164 12.593 -4.231 1.00 0.00 C ATOM 0 H THR A 35 4.645 8.959 -3.572 1.00 0.00 H new ATOM 0 HA THR A 35 3.792 11.654 -3.325 1.00 0.00 H new ATOM 0 HB THR A 35 6.218 10.519 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.134 10.311 -2.841 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.249 12.687 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.805 12.926 -5.205 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.719 13.209 -3.450 1.00 0.00 H new ATOM 586 N ARG A 36 3.974 10.570 -6.438 1.00 0.00 N ATOM 587 CA ARG A 36 3.520 10.911 -7.817 1.00 0.00 C ATOM 588 C ARG A 36 2.021 11.224 -7.810 1.00 0.00 C ATOM 589 O ARG A 36 1.585 12.225 -8.344 1.00 0.00 O ATOM 590 CB ARG A 36 3.784 9.728 -8.747 1.00 0.00 C ATOM 591 CG ARG A 36 4.785 10.142 -9.827 1.00 0.00 C ATOM 592 CD ARG A 36 4.208 9.819 -11.207 1.00 0.00 C ATOM 593 NE ARG A 36 2.868 10.456 -11.346 1.00 0.00 N ATOM 594 CZ ARG A 36 2.195 10.329 -12.457 1.00 0.00 C ATOM 595 NH1 ARG A 36 2.800 9.942 -13.547 1.00 0.00 N ATOM 596 NH2 ARG A 36 0.916 10.590 -12.477 1.00 0.00 N ATOM 0 H ARG A 36 4.452 9.673 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 36 4.069 11.785 -8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.175 8.884 -8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.852 9.398 -9.207 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.999 11.208 -9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.729 9.617 -9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.878 10.181 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.125 8.740 -11.335 1.00 0.00 H new ATOM 0 HE ARG A 36 2.476 10.992 -10.572 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.799 9.739 -13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.273 9.843 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.444 10.893 -11.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.389 10.491 -13.345 1.00 0.00 H new ATOM 610 N MET A 37 1.230 10.371 -7.220 1.00 0.00 N ATOM 611 CA MET A 37 -0.240 10.610 -7.190 1.00 0.00 C ATOM 612 C MET A 37 -0.578 11.708 -6.177 1.00 0.00 C ATOM 613 O MET A 37 -1.369 12.587 -6.451 1.00 0.00 O ATOM 614 CB MET A 37 -0.956 9.318 -6.792 1.00 0.00 C ATOM 615 CG MET A 37 -1.698 8.750 -8.003 1.00 0.00 C ATOM 616 SD MET A 37 -3.351 8.208 -7.497 1.00 0.00 S ATOM 617 CE MET A 37 -4.283 9.105 -8.764 1.00 0.00 C ATOM 0 H MET A 37 1.539 9.517 -6.756 1.00 0.00 H new ATOM 0 HA MET A 37 -0.568 10.927 -8.180 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.235 8.590 -6.420 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.658 9.514 -5.981 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.775 9.507 -8.784 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.142 7.912 -8.424 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.348 8.911 -8.638 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.095 10.174 -8.665 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.968 8.771 -9.752 1.00 0.00 H new ATOM 627 N PHE A 38 -0.003 11.663 -5.004 1.00 0.00 N ATOM 628 CA PHE A 38 -0.328 12.712 -3.992 1.00 0.00 C ATOM 629 C PHE A 38 0.948 13.263 -3.360 1.00 0.00 C ATOM 630 O PHE A 38 1.437 12.726 -2.386 1.00 0.00 O ATOM 631 CB PHE A 38 -1.199 12.131 -2.875 1.00 0.00 C ATOM 632 CG PHE A 38 -1.747 10.779 -3.274 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.921 10.697 -4.025 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.077 9.611 -2.891 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.430 9.448 -4.396 1.00 0.00 C ATOM 636 CE2 PHE A 38 -1.585 8.360 -3.261 1.00 0.00 C ATOM 637 CZ PHE A 38 -2.762 8.279 -4.013 1.00 0.00 C ATOM 0 H PHE A 38 0.669 10.956 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.864 13.509 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.612 12.036 -1.961 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.021 12.812 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.437 11.599 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.169 9.675 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.338 9.386 -4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.069 7.458 -2.966 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.155 7.314 -4.298 1.00 0.00 H new ATOM 647 N PRO A 39 1.433 14.342 -3.913 1.00 0.00 N ATOM 648 CA PRO A 39 2.633 15.019 -3.403 1.00 0.00 C ATOM 649 C PRO A 39 2.254 15.941 -2.235 1.00 0.00 C ATOM 650 O PRO A 39 2.988 16.843 -1.885 1.00 0.00 O ATOM 651 CB PRO A 39 3.109 15.843 -4.600 1.00 0.00 C ATOM 652 CG PRO A 39 1.872 16.050 -5.510 1.00 0.00 C ATOM 653 CD PRO A 39 0.842 14.976 -5.108 1.00 0.00 C ATOM 0 HA PRO A 39 3.394 14.333 -3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.516 16.800 -4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.903 15.325 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.459 17.050 -5.380 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.144 15.951 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.129 15.418 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.687 14.252 -5.908 1.00 0.00 H new ATOM 661 N TYR A 40 1.103 15.737 -1.640 1.00 0.00 N ATOM 662 CA TYR A 40 0.686 16.621 -0.516 1.00 0.00 C ATOM 663 C TYR A 40 0.854 15.905 0.825 1.00 0.00 C ATOM 664 O TYR A 40 1.161 16.517 1.828 1.00 0.00 O ATOM 665 CB TYR A 40 -0.782 17.031 -0.696 1.00 0.00 C ATOM 666 CG TYR A 40 -1.694 15.859 -0.405 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.887 15.421 0.914 1.00 0.00 C ATOM 668 CD2 TYR A 40 -2.357 15.216 -1.457 1.00 0.00 C ATOM 669 CE1 TYR A 40 -2.738 14.341 1.177 1.00 0.00 C ATOM 670 CE2 TYR A 40 -3.210 14.138 -1.193 1.00 0.00 C ATOM 671 CZ TYR A 40 -3.401 13.699 0.123 1.00 0.00 C ATOM 672 OH TYR A 40 -4.243 12.637 0.381 1.00 0.00 O ATOM 0 H TYR A 40 0.441 15.001 -1.885 1.00 0.00 H new ATOM 0 HA TYR A 40 1.319 17.508 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.020 17.860 -0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.946 17.384 -1.714 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.379 15.918 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.210 15.552 -2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.883 14.003 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.722 13.644 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.622 12.308 -0.461 1.00 0.00 H new ATOM 682 N PHE A 41 0.639 14.619 0.863 1.00 0.00 N ATOM 683 CA PHE A 41 0.770 13.888 2.153 1.00 0.00 C ATOM 684 C PHE A 41 2.251 13.730 2.519 1.00 0.00 C ATOM 685 O PHE A 41 2.584 13.246 3.578 1.00 0.00 O ATOM 686 CB PHE A 41 0.094 12.511 2.034 1.00 0.00 C ATOM 687 CG PHE A 41 1.065 11.489 1.489 1.00 0.00 C ATOM 688 CD1 PHE A 41 2.009 10.903 2.338 1.00 0.00 C ATOM 689 CD2 PHE A 41 1.021 11.131 0.141 1.00 0.00 C ATOM 690 CE1 PHE A 41 2.911 9.959 1.837 1.00 0.00 C ATOM 691 CE2 PHE A 41 1.919 10.188 -0.365 1.00 0.00 C ATOM 692 CZ PHE A 41 2.867 9.600 0.486 1.00 0.00 C ATOM 0 H PHE A 41 0.380 14.046 0.060 1.00 0.00 H new ATOM 0 HA PHE A 41 0.279 14.456 2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.268 12.192 3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.775 12.581 1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.042 11.180 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.291 11.584 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.641 9.508 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.884 9.912 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.562 8.870 0.098 1.00 0.00 H new ATOM 702 N ARG A 42 3.142 14.133 1.655 1.00 0.00 N ATOM 703 CA ARG A 42 4.595 13.994 1.967 1.00 0.00 C ATOM 704 C ARG A 42 5.015 15.019 3.030 1.00 0.00 C ATOM 705 O ARG A 42 6.176 15.122 3.373 1.00 0.00 O ATOM 706 CB ARG A 42 5.414 14.218 0.695 1.00 0.00 C ATOM 707 CG ARG A 42 5.112 15.608 0.131 1.00 0.00 C ATOM 708 CD ARG A 42 6.421 16.296 -0.263 1.00 0.00 C ATOM 709 NE ARG A 42 6.306 17.762 -0.017 1.00 0.00 N ATOM 710 CZ ARG A 42 6.754 18.610 -0.903 1.00 0.00 C ATOM 711 NH1 ARG A 42 7.998 19.001 -0.858 1.00 0.00 N ATOM 712 NH2 ARG A 42 5.959 19.069 -1.831 1.00 0.00 N ATOM 0 H ARG A 42 2.929 14.551 0.749 1.00 0.00 H new ATOM 0 HA ARG A 42 4.777 12.991 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.478 14.126 0.914 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.174 13.454 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.457 15.525 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.584 16.206 0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.249 15.884 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.640 16.109 -1.314 1.00 0.00 H new ATOM 0 HE ARG A 42 5.877 18.103 0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.619 18.644 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.350 19.663 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.986 18.765 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.311 19.731 -2.522 1.00 0.00 H new ATOM 726 N ARG A 43 4.091 15.779 3.554 1.00 0.00 N ATOM 727 CA ARG A 43 4.457 16.791 4.586 1.00 0.00 C ATOM 728 C ARG A 43 4.462 16.138 5.974 1.00 0.00 C ATOM 729 O ARG A 43 5.473 16.099 6.646 1.00 0.00 O ATOM 730 CB ARG A 43 3.441 17.935 4.561 1.00 0.00 C ATOM 731 CG ARG A 43 4.098 19.189 3.978 1.00 0.00 C ATOM 732 CD ARG A 43 3.060 20.307 3.866 1.00 0.00 C ATOM 733 NE ARG A 43 3.246 21.270 4.988 1.00 0.00 N ATOM 734 CZ ARG A 43 2.281 22.087 5.315 1.00 0.00 C ATOM 735 NH1 ARG A 43 1.796 22.913 4.429 1.00 0.00 N ATOM 736 NH2 ARG A 43 1.803 22.079 6.529 1.00 0.00 N ATOM 0 H ARG A 43 3.101 15.743 3.313 1.00 0.00 H new ATOM 0 HA ARG A 43 5.451 17.182 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.575 17.653 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.079 18.136 5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.924 19.508 4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.518 18.969 2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.164 20.821 2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.054 19.888 3.895 1.00 0.00 H new ATOM 0 HE ARG A 43 4.127 21.291 5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.171 22.921 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.042 23.551 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.183 21.435 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.049 22.717 6.785 1.00 0.00 H new ATOM 750 N ASN A 44 3.340 15.633 6.410 1.00 0.00 N ATOM 751 CA ASN A 44 3.285 14.991 7.758 1.00 0.00 C ATOM 752 C ASN A 44 3.647 13.509 7.639 1.00 0.00 C ATOM 753 O ASN A 44 2.790 12.649 7.674 1.00 0.00 O ATOM 754 CB ASN A 44 1.871 15.118 8.339 1.00 0.00 C ATOM 755 CG ASN A 44 1.154 16.319 7.717 1.00 0.00 C ATOM 756 OD1 ASN A 44 0.814 16.301 6.551 1.00 0.00 O ATOM 757 ND2 ASN A 44 0.905 17.369 8.452 1.00 0.00 N ATOM 0 H ASN A 44 2.460 15.636 5.894 1.00 0.00 H new ATOM 0 HA ASN A 44 3.995 15.491 8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.306 14.206 8.145 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.923 15.236 9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.425 18.173 8.047 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.190 17.385 9.431 1.00 0.00 H new ATOM 764 N ALA A 45 4.909 13.200 7.500 1.00 0.00 N ATOM 765 CA ALA A 45 5.312 11.769 7.380 1.00 0.00 C ATOM 766 C ALA A 45 5.245 11.093 8.747 1.00 0.00 C ATOM 767 O ALA A 45 5.216 9.884 8.848 1.00 0.00 O ATOM 768 CB ALA A 45 6.739 11.678 6.832 1.00 0.00 C ATOM 0 H ALA A 45 5.675 13.873 7.465 1.00 0.00 H new ATOM 0 HA ALA A 45 4.629 11.264 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.030 10.631 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.782 12.149 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.422 12.190 7.510 1.00 0.00 H new ATOM 774 N ALA A 46 5.214 11.856 9.801 1.00 0.00 N ATOM 775 CA ALA A 46 5.143 11.239 11.151 1.00 0.00 C ATOM 776 C ALA A 46 3.837 10.453 11.282 1.00 0.00 C ATOM 777 O ALA A 46 3.795 9.391 11.870 1.00 0.00 O ATOM 778 CB ALA A 46 5.187 12.333 12.218 1.00 0.00 C ATOM 0 H ALA A 46 5.235 12.876 9.786 1.00 0.00 H new ATOM 0 HA ALA A 46 5.990 10.567 11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.135 11.879 13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.117 12.895 12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.341 13.007 12.083 1.00 0.00 H new ATOM 784 N THR A 47 2.763 10.980 10.759 1.00 0.00 N ATOM 785 CA THR A 47 1.453 10.277 10.879 1.00 0.00 C ATOM 786 C THR A 47 1.296 9.152 9.838 1.00 0.00 C ATOM 787 O THR A 47 0.962 8.036 10.182 1.00 0.00 O ATOM 788 CB THR A 47 0.326 11.290 10.685 1.00 0.00 C ATOM 789 OG1 THR A 47 0.586 12.442 11.474 1.00 0.00 O ATOM 790 CG2 THR A 47 -1.004 10.667 11.110 1.00 0.00 C ATOM 0 H THR A 47 2.736 11.866 10.254 1.00 0.00 H new ATOM 0 HA THR A 47 1.410 9.824 11.869 1.00 0.00 H new ATOM 0 HB THR A 47 0.270 11.574 9.634 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.135 13.094 11.349 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.806 11.392 10.971 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.203 9.784 10.502 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.952 10.380 12.160 1.00 0.00 H new ATOM 798 N TRP A 48 1.473 9.433 8.569 1.00 0.00 N ATOM 799 CA TRP A 48 1.259 8.361 7.540 1.00 0.00 C ATOM 800 C TRP A 48 2.472 7.427 7.397 1.00 0.00 C ATOM 801 O TRP A 48 2.398 6.421 6.717 1.00 0.00 O ATOM 802 CB TRP A 48 0.920 8.992 6.181 1.00 0.00 C ATOM 803 CG TRP A 48 2.060 9.801 5.653 1.00 0.00 C ATOM 804 CD1 TRP A 48 2.141 11.150 5.700 1.00 0.00 C ATOM 805 CD2 TRP A 48 3.264 9.341 4.972 1.00 0.00 C ATOM 806 NE1 TRP A 48 3.319 11.547 5.098 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.048 10.469 4.635 1.00 0.00 C ATOM 808 CE3 TRP A 48 3.750 8.068 4.620 1.00 0.00 C ATOM 809 CZ2 TRP A 48 5.270 10.340 3.974 1.00 0.00 C ATOM 810 CZ3 TRP A 48 4.980 7.935 3.954 1.00 0.00 C ATOM 811 CH2 TRP A 48 5.737 9.070 3.631 1.00 0.00 C ATOM 0 H TRP A 48 1.752 10.343 8.203 1.00 0.00 H new ATOM 0 HA TRP A 48 0.423 7.752 7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.668 8.208 5.467 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.039 9.626 6.283 1.00 0.00 H new ATOM 0 HD1 TRP A 48 1.405 11.809 6.137 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.615 12.519 5.006 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.174 7.188 4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.851 11.217 3.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 5.344 6.953 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 48 6.681 8.962 3.117 1.00 0.00 H new ATOM 822 N LYS A 49 3.573 7.715 8.029 1.00 0.00 N ATOM 823 CA LYS A 49 4.746 6.800 7.908 1.00 0.00 C ATOM 824 C LYS A 49 4.667 5.744 9.009 1.00 0.00 C ATOM 825 O LYS A 49 4.943 4.583 8.790 1.00 0.00 O ATOM 826 CB LYS A 49 6.044 7.597 8.056 1.00 0.00 C ATOM 827 CG LYS A 49 7.223 6.740 7.591 1.00 0.00 C ATOM 828 CD LYS A 49 7.699 5.856 8.747 1.00 0.00 C ATOM 829 CE LYS A 49 9.083 5.291 8.423 1.00 0.00 C ATOM 830 NZ LYS A 49 10.130 6.190 8.987 1.00 0.00 N ATOM 0 H LYS A 49 3.714 8.535 8.619 1.00 0.00 H new ATOM 0 HA LYS A 49 4.734 6.318 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.991 8.512 7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.184 7.895 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.925 6.121 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.037 7.378 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.738 6.436 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.992 5.043 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.185 4.289 8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.208 5.202 7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.072 5.807 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.036 7.138 8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.014 6.253 10.019 1.00 0.00 H new ATOM 844 N ASN A 50 4.282 6.139 10.190 1.00 0.00 N ATOM 845 CA ASN A 50 4.173 5.158 11.303 1.00 0.00 C ATOM 846 C ASN A 50 2.917 4.309 11.100 1.00 0.00 C ATOM 847 O ASN A 50 2.874 3.148 11.454 1.00 0.00 O ATOM 848 CB ASN A 50 4.077 5.906 12.634 1.00 0.00 C ATOM 849 CG ASN A 50 5.328 5.629 13.469 1.00 0.00 C ATOM 850 OD1 ASN A 50 6.207 4.904 13.044 1.00 0.00 O ATOM 851 ND2 ASN A 50 5.447 6.176 14.648 1.00 0.00 N ATOM 0 H ASN A 50 4.038 7.099 10.432 1.00 0.00 H new ATOM 0 HA ASN A 50 5.053 4.514 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.977 6.976 12.455 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.187 5.589 13.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.277 5.995 15.213 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.710 6.784 15.005 1.00 0.00 H new ATOM 858 N ALA A 51 1.892 4.884 10.530 1.00 0.00 N ATOM 859 CA ALA A 51 0.637 4.115 10.300 1.00 0.00 C ATOM 860 C ALA A 51 0.879 3.054 9.224 1.00 0.00 C ATOM 861 O ALA A 51 0.485 1.913 9.363 1.00 0.00 O ATOM 862 CB ALA A 51 -0.465 5.070 9.837 1.00 0.00 C ATOM 0 H ALA A 51 1.871 5.854 10.214 1.00 0.00 H new ATOM 0 HA ALA A 51 0.332 3.628 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.385 4.510 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.636 5.826 10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.160 5.555 8.910 1.00 0.00 H new ATOM 868 N VAL A 52 1.521 3.422 8.148 1.00 0.00 N ATOM 869 CA VAL A 52 1.785 2.435 7.062 1.00 0.00 C ATOM 870 C VAL A 52 2.649 1.290 7.601 1.00 0.00 C ATOM 871 O VAL A 52 2.404 0.133 7.327 1.00 0.00 O ATOM 872 CB VAL A 52 2.524 3.129 5.916 1.00 0.00 C ATOM 873 CG1 VAL A 52 2.906 2.097 4.854 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.614 4.189 5.291 1.00 0.00 C ATOM 0 H VAL A 52 1.874 4.363 7.974 1.00 0.00 H new ATOM 0 HA VAL A 52 0.838 2.034 6.701 1.00 0.00 H new ATOM 0 HB VAL A 52 3.426 3.604 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.432 2.592 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.554 1.341 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.004 1.621 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.140 4.684 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.712 3.713 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.341 4.926 6.047 1.00 0.00 H new ATOM 884 N ARG A 53 3.661 1.608 8.361 1.00 0.00 N ATOM 885 CA ARG A 53 4.548 0.542 8.912 1.00 0.00 C ATOM 886 C ARG A 53 3.723 -0.461 9.722 1.00 0.00 C ATOM 887 O ARG A 53 3.811 -1.657 9.520 1.00 0.00 O ATOM 888 CB ARG A 53 5.599 1.182 9.823 1.00 0.00 C ATOM 889 CG ARG A 53 6.978 0.599 9.508 1.00 0.00 C ATOM 890 CD ARG A 53 7.892 0.771 10.724 1.00 0.00 C ATOM 891 NE ARG A 53 8.405 2.170 10.768 1.00 0.00 N ATOM 892 CZ ARG A 53 9.437 2.464 11.510 1.00 0.00 C ATOM 893 NH1 ARG A 53 9.422 2.188 12.786 1.00 0.00 N ATOM 894 NH2 ARG A 53 10.485 3.032 10.977 1.00 0.00 N ATOM 0 H ARG A 53 3.913 2.561 8.625 1.00 0.00 H new ATOM 0 HA ARG A 53 5.036 0.021 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.609 2.263 9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.347 1.001 10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.889 -0.457 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.408 1.101 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.344 0.545 11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.724 0.069 10.669 1.00 0.00 H new ATOM 0 HE ARG A 53 7.949 2.898 10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.604 1.743 13.202 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.228 2.417 13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.497 3.246 9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.291 3.262 11.558 1.00 0.00 H new ATOM 908 N HIS A 54 2.932 0.012 10.645 1.00 0.00 N ATOM 909 CA HIS A 54 2.114 -0.917 11.479 1.00 0.00 C ATOM 910 C HIS A 54 1.094 -1.654 10.603 1.00 0.00 C ATOM 911 O HIS A 54 0.902 -2.848 10.729 1.00 0.00 O ATOM 912 CB HIS A 54 1.376 -0.115 12.553 1.00 0.00 C ATOM 913 CG HIS A 54 0.747 -1.059 13.540 1.00 0.00 C ATOM 914 ND1 HIS A 54 1.500 -1.919 14.324 1.00 0.00 N ATOM 915 CD2 HIS A 54 -0.563 -1.289 13.882 1.00 0.00 C ATOM 916 CE1 HIS A 54 0.645 -2.620 15.091 1.00 0.00 C ATOM 917 NE2 HIS A 54 -0.625 -2.276 14.862 1.00 0.00 N ATOM 0 H HIS A 54 2.816 1.003 10.859 1.00 0.00 H new ATOM 0 HA HIS A 54 2.772 -1.648 11.949 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.069 0.553 13.064 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.611 0.510 12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.416 -0.781 13.456 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.949 -3.370 15.806 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.460 -2.655 15.309 1.00 0.00 H new ATOM 925 N ASN A 55 0.431 -0.951 9.728 1.00 0.00 N ATOM 926 CA ASN A 55 -0.585 -1.606 8.852 1.00 0.00 C ATOM 927 C ASN A 55 0.097 -2.582 7.889 1.00 0.00 C ATOM 928 O ASN A 55 -0.495 -3.542 7.438 1.00 0.00 O ATOM 929 CB ASN A 55 -1.317 -0.531 8.049 1.00 0.00 C ATOM 930 CG ASN A 55 -2.463 0.041 8.887 1.00 0.00 C ATOM 931 OD1 ASN A 55 -3.079 -0.667 9.659 1.00 0.00 O ATOM 932 ND2 ASN A 55 -2.776 1.302 8.766 1.00 0.00 N ATOM 0 H ASN A 55 0.548 0.051 9.580 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.292 -2.157 9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.625 0.263 7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.706 -0.955 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.538 1.694 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.259 1.896 8.118 1.00 0.00 H new ATOM 939 N LEU A 56 1.334 -2.335 7.560 1.00 0.00 N ATOM 940 CA LEU A 56 2.057 -3.234 6.612 1.00 0.00 C ATOM 941 C LEU A 56 2.310 -4.605 7.259 1.00 0.00 C ATOM 942 O LEU A 56 2.121 -5.633 6.639 1.00 0.00 O ATOM 943 CB LEU A 56 3.399 -2.589 6.243 1.00 0.00 C ATOM 944 CG LEU A 56 3.631 -2.670 4.729 1.00 0.00 C ATOM 945 CD1 LEU A 56 2.388 -2.177 3.982 1.00 0.00 C ATOM 946 CD2 LEU A 56 4.824 -1.788 4.354 1.00 0.00 C ATOM 0 H LEU A 56 1.879 -1.546 7.907 1.00 0.00 H new ATOM 0 HA LEU A 56 1.449 -3.377 5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.410 -1.547 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.209 -3.093 6.769 1.00 0.00 H new ATOM 0 HG LEU A 56 3.830 -3.705 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.561 -2.238 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.533 -2.799 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.184 -1.143 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.993 -1.842 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.617 -0.756 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.713 -2.137 4.879 1.00 0.00 H new ATOM 958 N SER A 57 2.755 -4.631 8.486 1.00 0.00 N ATOM 959 CA SER A 57 3.039 -5.942 9.148 1.00 0.00 C ATOM 960 C SER A 57 1.760 -6.539 9.753 1.00 0.00 C ATOM 961 O SER A 57 1.585 -7.740 9.785 1.00 0.00 O ATOM 962 CB SER A 57 4.070 -5.734 10.257 1.00 0.00 C ATOM 963 OG SER A 57 5.310 -6.303 9.858 1.00 0.00 O ATOM 0 H SER A 57 2.934 -3.806 9.059 1.00 0.00 H new ATOM 0 HA SER A 57 3.425 -6.633 8.398 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.193 -4.670 10.460 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.725 -6.197 11.182 1.00 0.00 H new ATOM 0 HG SER A 57 5.974 -6.170 10.566 1.00 0.00 H new ATOM 969 N LEU A 58 0.874 -5.720 10.249 1.00 0.00 N ATOM 970 CA LEU A 58 -0.375 -6.256 10.864 1.00 0.00 C ATOM 971 C LEU A 58 -1.321 -6.772 9.775 1.00 0.00 C ATOM 972 O LEU A 58 -1.894 -7.837 9.892 1.00 0.00 O ATOM 973 CB LEU A 58 -1.067 -5.144 11.654 1.00 0.00 C ATOM 974 CG LEU A 58 -2.435 -5.631 12.133 1.00 0.00 C ATOM 975 CD1 LEU A 58 -2.557 -5.407 13.641 1.00 0.00 C ATOM 976 CD2 LEU A 58 -3.534 -4.847 11.412 1.00 0.00 C ATOM 0 H LEU A 58 0.960 -4.704 10.256 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.119 -7.080 11.531 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.454 -4.854 12.507 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.183 -4.258 11.029 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.540 -6.694 11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.532 -5.754 13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.773 -5.963 14.156 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.453 -4.344 13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.510 -5.193 11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.428 -3.785 11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.448 -5.004 10.337 1.00 0.00 H new ATOM 988 N HIS A 59 -1.493 -6.026 8.719 1.00 0.00 N ATOM 989 CA HIS A 59 -2.408 -6.477 7.630 1.00 0.00 C ATOM 990 C HIS A 59 -1.984 -7.866 7.148 1.00 0.00 C ATOM 991 O HIS A 59 -0.897 -8.054 6.640 1.00 0.00 O ATOM 992 CB HIS A 59 -2.336 -5.486 6.469 1.00 0.00 C ATOM 993 CG HIS A 59 -3.061 -4.221 6.845 1.00 0.00 C ATOM 994 ND1 HIS A 59 -4.053 -4.197 7.813 1.00 0.00 N ATOM 995 CD2 HIS A 59 -2.947 -2.930 6.394 1.00 0.00 C ATOM 996 CE1 HIS A 59 -4.493 -2.929 7.911 1.00 0.00 C ATOM 997 NE2 HIS A 59 -3.853 -2.116 7.068 1.00 0.00 N ATOM 0 H HIS A 59 -1.041 -5.125 8.562 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.430 -6.524 8.006 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -1.296 -5.265 6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.783 -5.922 5.576 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -4.388 -4.995 8.353 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.259 -2.596 5.632 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.270 -2.608 8.589 1.00 0.00 H new ATOM 1005 N LYS A 60 -2.834 -8.844 7.311 1.00 0.00 N ATOM 1006 CA LYS A 60 -2.478 -10.222 6.873 1.00 0.00 C ATOM 1007 C LYS A 60 -2.672 -10.360 5.360 1.00 0.00 C ATOM 1008 O LYS A 60 -2.098 -11.227 4.732 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.371 -11.233 7.596 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.537 -11.998 8.626 1.00 0.00 C ATOM 1011 CD LYS A 60 -3.461 -12.601 9.687 1.00 0.00 C ATOM 1012 CE LYS A 60 -3.291 -11.843 11.005 1.00 0.00 C ATOM 1013 NZ LYS A 60 -2.230 -12.498 11.822 1.00 0.00 N ATOM 0 H LYS A 60 -3.759 -8.747 7.729 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.433 -10.414 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.197 -10.719 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.810 -11.927 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.967 -12.787 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.816 -11.329 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.498 -12.546 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.228 -13.656 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.024 -10.805 10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.232 -11.831 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.114 -11.983 12.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.503 -13.482 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.332 -12.487 11.298 1.00 0.00 H new ATOM 1027 N TYR A 61 -3.472 -9.516 4.766 1.00 0.00 N ATOM 1028 CA TYR A 61 -3.685 -9.619 3.293 1.00 0.00 C ATOM 1029 C TYR A 61 -2.425 -9.146 2.565 1.00 0.00 C ATOM 1030 O TYR A 61 -2.294 -9.298 1.367 1.00 0.00 O ATOM 1031 CB TYR A 61 -4.881 -8.759 2.878 1.00 0.00 C ATOM 1032 CG TYR A 61 -4.610 -7.308 3.193 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -3.859 -6.529 2.307 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -5.119 -6.741 4.367 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -3.615 -5.181 2.595 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -4.875 -5.392 4.655 1.00 0.00 C ATOM 1037 CZ TYR A 61 -4.123 -4.612 3.767 1.00 0.00 C ATOM 1038 OH TYR A 61 -3.884 -3.283 4.045 1.00 0.00 O ATOM 0 H TYR A 61 -3.983 -8.766 5.231 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.889 -10.656 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.072 -8.878 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.777 -9.092 3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.467 -6.967 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.699 -7.343 5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.034 -4.580 1.911 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.266 -4.954 5.561 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.133 -2.965 3.502 1.00 0.00 H new ATOM 1048 N PHE A 62 -1.487 -8.589 3.284 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.226 -8.127 2.639 1.00 0.00 C ATOM 1050 C PHE A 62 0.798 -9.261 2.711 1.00 0.00 C ATOM 1051 O PHE A 62 1.048 -9.807 3.768 1.00 0.00 O ATOM 1052 CB PHE A 62 0.311 -6.904 3.388 1.00 0.00 C ATOM 1053 CG PHE A 62 -0.202 -5.641 2.740 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -0.186 -5.513 1.348 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -0.688 -4.593 3.532 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -0.656 -4.339 0.748 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -1.159 -3.420 2.932 1.00 0.00 C ATOM 1058 CZ PHE A 62 -1.141 -3.291 1.539 1.00 0.00 C ATOM 0 H PHE A 62 -1.541 -8.434 4.291 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.412 -7.856 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.000 -6.940 4.432 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.401 -6.911 3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.189 -6.320 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.699 -4.690 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.644 -4.242 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.536 -2.614 3.544 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.501 -2.385 1.075 1.00 0.00 H new ATOM 1068 N VAL A 63 1.389 -9.635 1.607 1.00 0.00 N ATOM 1069 CA VAL A 63 2.379 -10.747 1.657 1.00 0.00 C ATOM 1070 C VAL A 63 3.696 -10.306 1.021 1.00 0.00 C ATOM 1071 O VAL A 63 3.720 -9.550 0.069 1.00 0.00 O ATOM 1072 CB VAL A 63 1.827 -11.957 0.901 1.00 0.00 C ATOM 1073 CG1 VAL A 63 2.843 -13.099 0.954 1.00 0.00 C ATOM 1074 CG2 VAL A 63 0.519 -12.411 1.555 1.00 0.00 C ATOM 0 H VAL A 63 1.232 -9.225 0.686 1.00 0.00 H new ATOM 0 HA VAL A 63 2.559 -11.016 2.698 1.00 0.00 H new ATOM 0 HB VAL A 63 1.641 -11.683 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.450 -13.961 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.776 -12.777 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.028 -13.374 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.124 -13.273 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.707 -12.685 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.206 -11.598 1.520 1.00 0.00 H new ATOM 1084 N ARG A 64 4.794 -10.782 1.540 1.00 0.00 N ATOM 1085 CA ARG A 64 6.117 -10.404 0.971 1.00 0.00 C ATOM 1086 C ARG A 64 6.690 -11.594 0.202 1.00 0.00 C ATOM 1087 O ARG A 64 6.591 -12.727 0.630 1.00 0.00 O ATOM 1088 CB ARG A 64 7.070 -10.023 2.107 1.00 0.00 C ATOM 1089 CG ARG A 64 8.488 -9.860 1.554 1.00 0.00 C ATOM 1090 CD ARG A 64 9.239 -8.815 2.381 1.00 0.00 C ATOM 1091 NE ARG A 64 10.414 -9.452 3.041 1.00 0.00 N ATOM 1092 CZ ARG A 64 10.583 -9.331 4.329 1.00 0.00 C ATOM 1093 NH1 ARG A 64 10.826 -8.160 4.848 1.00 0.00 N ATOM 1094 NH2 ARG A 64 10.507 -10.384 5.097 1.00 0.00 N ATOM 0 H ARG A 64 4.831 -11.418 2.336 1.00 0.00 H new ATOM 0 HA ARG A 64 5.999 -9.555 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.742 -9.095 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.056 -10.791 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.015 -10.814 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.450 -9.553 0.509 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.568 -7.997 1.740 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.576 -8.385 3.132 1.00 0.00 H new ATOM 0 HE ARG A 64 11.086 -9.982 2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.884 -7.338 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.958 -8.066 5.855 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.316 -11.299 4.690 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.639 -10.291 6.104 1.00 0.00 H new ATOM 1108 N VAL A 65 7.285 -11.351 -0.933 1.00 0.00 N ATOM 1109 CA VAL A 65 7.857 -12.467 -1.725 1.00 0.00 C ATOM 1110 C VAL A 65 9.365 -12.265 -1.878 1.00 0.00 C ATOM 1111 O VAL A 65 9.827 -11.665 -2.827 1.00 0.00 O ATOM 1112 CB VAL A 65 7.202 -12.504 -3.105 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.291 -13.921 -3.674 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.732 -12.097 -2.983 1.00 0.00 C ATOM 0 H VAL A 65 7.398 -10.424 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 65 7.669 -13.410 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 65 7.718 -11.811 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.824 -13.948 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.338 -14.213 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.775 -14.613 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.264 -12.123 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.217 -12.790 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.666 -11.088 -2.577 1.00 0.00 H new ATOM 1124 N GLU A 66 10.134 -12.763 -0.948 1.00 0.00 N ATOM 1125 CA GLU A 66 11.610 -12.602 -1.031 1.00 0.00 C ATOM 1126 C GLU A 66 12.140 -13.336 -2.264 1.00 0.00 C ATOM 1127 O GLU A 66 12.060 -14.545 -2.363 1.00 0.00 O ATOM 1128 CB GLU A 66 12.256 -13.187 0.226 1.00 0.00 C ATOM 1129 CG GLU A 66 13.679 -12.642 0.372 1.00 0.00 C ATOM 1130 CD GLU A 66 14.668 -13.624 -0.260 1.00 0.00 C ATOM 1131 OE1 GLU A 66 14.881 -14.674 0.322 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.194 -13.309 -1.315 1.00 0.00 O ATOM 0 H GLU A 66 9.800 -13.276 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 66 11.854 -11.543 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.665 -12.929 1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.277 -14.275 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.758 -11.668 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.918 -12.496 1.425 1.00 0.00 H new ATOM 1139 N ASN A 67 12.686 -12.614 -3.205 1.00 0.00 N ATOM 1140 CA ASN A 67 13.225 -13.262 -4.425 1.00 0.00 C ATOM 1141 C ASN A 67 14.635 -12.734 -4.700 1.00 0.00 C ATOM 1142 O ASN A 67 15.023 -11.691 -4.211 1.00 0.00 O ATOM 1143 CB ASN A 67 12.316 -12.953 -5.618 1.00 0.00 C ATOM 1144 CG ASN A 67 11.090 -13.867 -5.575 1.00 0.00 C ATOM 1145 OD1 ASN A 67 10.599 -14.193 -4.513 1.00 0.00 O ATOM 1146 ND2 ASN A 67 10.570 -14.296 -6.692 1.00 0.00 N ATOM 0 H ASN A 67 12.780 -11.599 -3.177 1.00 0.00 H new ATOM 0 HA ASN A 67 13.264 -14.341 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.005 -11.909 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.860 -13.100 -6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.752 -14.905 -6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.982 -14.023 -7.584 1.00 0.00 H new ATOM 1153 N VAL A 68 15.407 -13.446 -5.473 1.00 0.00 N ATOM 1154 CA VAL A 68 16.793 -12.989 -5.775 1.00 0.00 C ATOM 1155 C VAL A 68 16.760 -11.560 -6.325 1.00 0.00 C ATOM 1156 O VAL A 68 17.628 -10.758 -6.045 1.00 0.00 O ATOM 1157 CB VAL A 68 17.423 -13.920 -6.813 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.879 -13.517 -7.044 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.369 -15.363 -6.302 1.00 0.00 C ATOM 0 H VAL A 68 15.137 -14.327 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 68 17.385 -13.009 -4.860 1.00 0.00 H new ATOM 0 HB VAL A 68 16.872 -13.844 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.327 -14.181 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.919 -12.490 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.431 -13.593 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.817 -16.028 -7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.920 -15.438 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.331 -15.652 -6.137 1.00 0.00 H new ATOM 1169 N LYS A 69 15.769 -11.239 -7.110 1.00 0.00 N ATOM 1170 CA LYS A 69 15.686 -9.867 -7.681 1.00 0.00 C ATOM 1171 C LYS A 69 15.304 -8.870 -6.584 1.00 0.00 C ATOM 1172 O LYS A 69 15.449 -7.675 -6.743 1.00 0.00 O ATOM 1173 CB LYS A 69 14.628 -9.840 -8.786 1.00 0.00 C ATOM 1174 CG LYS A 69 15.105 -8.945 -9.933 1.00 0.00 C ATOM 1175 CD LYS A 69 14.127 -9.055 -11.106 1.00 0.00 C ATOM 1176 CE LYS A 69 14.889 -8.908 -12.425 1.00 0.00 C ATOM 1177 NZ LYS A 69 14.904 -10.218 -13.138 1.00 0.00 N ATOM 0 H LYS A 69 15.013 -11.868 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 69 16.656 -9.590 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.444 -10.850 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 69 13.683 -9.468 -8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.172 -7.910 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.105 -9.243 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.614 -10.016 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.362 -8.283 -11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.417 -8.148 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.909 -8.574 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.422 -10.119 -14.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.373 -10.931 -12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.928 -10.518 -13.333 1.00 0.00 H new ATOM 1191 N GLY A 70 14.815 -9.350 -5.474 1.00 0.00 N ATOM 1192 CA GLY A 70 14.424 -8.433 -4.374 1.00 0.00 C ATOM 1193 C GLY A 70 13.006 -8.770 -3.905 1.00 0.00 C ATOM 1194 O GLY A 70 12.123 -9.023 -4.700 1.00 0.00 O ATOM 0 H GLY A 70 14.670 -10.342 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.124 -8.525 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.469 -7.399 -4.716 1.00 0.00 H new ATOM 1198 N ALA A 71 12.782 -8.779 -2.618 1.00 0.00 N ATOM 1199 CA ALA A 71 11.425 -9.102 -2.100 1.00 0.00 C ATOM 1200 C ALA A 71 10.446 -7.993 -2.491 1.00 0.00 C ATOM 1201 O ALA A 71 10.789 -6.827 -2.514 1.00 0.00 O ATOM 1202 CB ALA A 71 11.478 -9.224 -0.574 1.00 0.00 C ATOM 0 H ALA A 71 13.482 -8.576 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 71 11.089 -10.046 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.484 -9.461 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.172 -10.018 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.816 -8.281 -0.145 1.00 0.00 H new ATOM 1208 N VAL A 72 9.227 -8.346 -2.802 1.00 0.00 N ATOM 1209 CA VAL A 72 8.227 -7.311 -3.194 1.00 0.00 C ATOM 1210 C VAL A 72 6.985 -7.430 -2.309 1.00 0.00 C ATOM 1211 O VAL A 72 6.649 -8.498 -1.836 1.00 0.00 O ATOM 1212 CB VAL A 72 7.823 -7.517 -4.654 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.883 -6.903 -5.570 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.709 -9.015 -4.942 1.00 0.00 C ATOM 0 H VAL A 72 8.881 -9.306 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 72 8.669 -6.323 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 72 6.863 -7.035 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.594 -7.050 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.968 -5.836 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.844 -7.385 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.421 -9.165 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.670 -9.495 -4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.954 -9.454 -4.290 1.00 0.00 H new ATOM 1224 N TRP A 73 6.299 -6.342 -2.078 1.00 0.00 N ATOM 1225 CA TRP A 73 5.081 -6.400 -1.225 1.00 0.00 C ATOM 1226 C TRP A 73 3.853 -6.706 -2.086 1.00 0.00 C ATOM 1227 O TRP A 73 3.561 -6.005 -3.031 1.00 0.00 O ATOM 1228 CB TRP A 73 4.879 -5.068 -0.495 1.00 0.00 C ATOM 1229 CG TRP A 73 5.607 -5.094 0.808 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.689 -4.340 1.105 1.00 0.00 C ATOM 1231 CD2 TRP A 73 5.327 -5.893 1.993 1.00 0.00 C ATOM 1232 NE1 TRP A 73 7.094 -4.626 2.396 1.00 0.00 N ATOM 1233 CE2 TRP A 73 6.285 -5.578 2.985 1.00 0.00 C ATOM 1234 CE3 TRP A 73 4.346 -6.852 2.301 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 6.271 -6.192 4.238 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 4.327 -7.472 3.561 1.00 0.00 C ATOM 1237 CH2 TRP A 73 5.288 -7.143 4.527 1.00 0.00 C ATOM 0 H TRP A 73 6.531 -5.418 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 73 5.210 -7.192 -0.488 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.244 -4.246 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.817 -4.892 -0.326 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.160 -3.630 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.892 -4.188 2.856 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.602 -7.114 1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 7.014 -5.935 4.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 3.568 -8.206 3.787 1.00 0.00 H new ATOM 0 HH2 TRP A 73 5.269 -7.624 5.494 1.00 0.00 H new ATOM 1248 N THR A 74 3.132 -7.753 -1.775 1.00 0.00 N ATOM 1249 CA THR A 74 1.942 -8.097 -2.589 1.00 0.00 C ATOM 1250 C THR A 74 0.692 -8.166 -1.715 1.00 0.00 C ATOM 1251 O THR A 74 0.755 -8.074 -0.505 1.00 0.00 O ATOM 1252 CB THR A 74 2.169 -9.451 -3.253 1.00 0.00 C ATOM 1253 OG1 THR A 74 0.947 -9.925 -3.801 1.00 0.00 O ATOM 1254 CG2 THR A 74 2.684 -10.451 -2.218 1.00 0.00 C ATOM 0 H THR A 74 3.321 -8.380 -0.993 1.00 0.00 H new ATOM 0 HA THR A 74 1.796 -7.325 -3.345 1.00 0.00 H new ATOM 0 HB THR A 74 2.905 -9.341 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.643 -9.311 -4.502 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.845 -11.418 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.624 -10.091 -1.801 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.950 -10.559 -1.419 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.448 -8.335 -2.328 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.715 -8.422 -1.551 1.00 0.00 C ATOM 1264 C VAL A 75 -2.455 -9.701 -1.942 1.00 0.00 C ATOM 1265 O VAL A 75 -2.375 -10.161 -3.064 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.591 -7.209 -1.868 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -3.881 -7.280 -1.047 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -1.833 -5.928 -1.514 1.00 0.00 C ATOM 0 H VAL A 75 -0.556 -8.417 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.492 -8.438 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.837 -7.207 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.505 -6.415 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.422 -8.193 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.637 -7.283 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.456 -5.062 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.588 -5.932 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.914 -5.876 -2.098 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.173 -10.283 -1.024 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.917 -11.535 -1.339 1.00 0.00 C ATOM 1280 C ASP A 76 -5.380 -11.197 -1.638 1.00 0.00 C ATOM 1281 O ASP A 76 -6.055 -10.563 -0.851 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.845 -12.484 -0.140 1.00 0.00 C ATOM 1283 CG ASP A 76 -4.012 -13.927 -0.619 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -4.991 -14.196 -1.294 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -3.157 -14.737 -0.301 1.00 0.00 O ATOM 0 H ASP A 76 -3.278 -9.946 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.471 -12.016 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.890 -12.368 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.625 -12.236 0.580 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.875 -11.614 -2.771 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.293 -11.316 -3.121 1.00 0.00 C ATOM 1292 C GLU A 77 -8.223 -11.976 -2.103 1.00 0.00 C ATOM 1293 O GLU A 77 -9.176 -11.381 -1.641 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.597 -11.861 -4.518 1.00 0.00 C ATOM 1295 CG GLU A 77 -7.414 -13.379 -4.523 1.00 0.00 C ATOM 1296 CD GLU A 77 -7.556 -13.908 -5.952 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -8.096 -13.190 -6.778 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -7.123 -15.021 -6.197 1.00 0.00 O ATOM 0 H GLU A 77 -5.359 -12.148 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.450 -10.238 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.617 -11.606 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.934 -11.402 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.433 -13.639 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.156 -13.847 -3.876 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.953 -13.200 -1.745 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.819 -13.894 -0.756 1.00 0.00 C ATOM 1307 C VAL A 78 -8.811 -13.108 0.553 1.00 0.00 C ATOM 1308 O VAL A 78 -9.839 -12.706 1.060 1.00 0.00 O ATOM 1309 CB VAL A 78 -8.273 -15.300 -0.507 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -9.285 -16.106 0.309 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -8.029 -15.994 -1.848 1.00 0.00 C ATOM 0 H VAL A 78 -7.168 -13.749 -2.096 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.838 -13.961 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.336 -15.234 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.894 -17.108 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.459 -15.611 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.224 -16.174 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.640 -16.997 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.967 -16.060 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.306 -15.420 -2.428 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.650 -12.889 1.099 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.553 -12.133 2.376 1.00 0.00 C ATOM 1323 C GLU A 79 -8.065 -10.704 2.174 1.00 0.00 C ATOM 1324 O GLU A 79 -8.806 -10.181 2.982 1.00 0.00 O ATOM 1325 CB GLU A 79 -6.094 -12.092 2.833 1.00 0.00 C ATOM 1326 CG GLU A 79 -6.038 -11.909 4.351 1.00 0.00 C ATOM 1327 CD GLU A 79 -5.843 -13.269 5.022 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -4.702 -13.669 5.184 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -6.837 -13.889 5.362 1.00 0.00 O ATOM 0 H GLU A 79 -6.759 -13.203 0.714 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.160 -12.628 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.587 -13.014 2.549 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.570 -11.274 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.220 -11.240 4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.958 -11.445 4.706 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.672 -10.063 1.106 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.133 -8.669 0.863 1.00 0.00 C ATOM 1338 C PHE A 80 -9.645 -8.657 0.620 1.00 0.00 C ATOM 1339 O PHE A 80 -10.384 -7.962 1.287 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.416 -8.097 -0.363 1.00 0.00 C ATOM 1341 CG PHE A 80 -7.572 -6.593 -0.383 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -6.639 -5.782 0.274 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -8.652 -6.012 -1.059 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -6.785 -4.390 0.256 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -8.798 -4.620 -1.078 1.00 0.00 C ATOM 1346 CZ PHE A 80 -7.865 -3.809 -0.421 1.00 0.00 C ATOM 0 H PHE A 80 -7.052 -10.446 0.392 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.903 -8.059 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.359 -8.363 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -7.831 -8.528 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.806 -6.231 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.372 -6.638 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.066 -3.764 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.631 -4.172 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.978 -2.735 -0.436 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.112 -9.419 -0.335 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.576 -9.443 -0.618 1.00 0.00 C ATOM 1358 C GLN A 81 -12.304 -10.201 0.495 1.00 0.00 C ATOM 1359 O GLN A 81 -13.518 -10.249 0.532 1.00 0.00 O ATOM 1360 CB GLN A 81 -11.827 -10.139 -1.959 1.00 0.00 C ATOM 1361 CG GLN A 81 -11.481 -9.184 -3.103 1.00 0.00 C ATOM 1362 CD GLN A 81 -11.997 -9.760 -4.422 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -12.641 -10.791 -4.438 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -11.741 -9.134 -5.539 1.00 0.00 N ATOM 0 H GLN A 81 -9.544 -10.023 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.951 -8.420 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.222 -11.043 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.870 -10.447 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.927 -8.206 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.402 -9.038 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.201 -8.269 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.081 -9.510 -6.424 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.577 -10.796 1.399 1.00 0.00 N ATOM 1374 CA LYS A 82 -12.236 -11.550 2.502 1.00 0.00 C ATOM 1375 C LYS A 82 -13.199 -10.623 3.250 1.00 0.00 C ATOM 1376 O LYS A 82 -14.344 -10.957 3.479 1.00 0.00 O ATOM 1377 CB LYS A 82 -11.174 -12.074 3.471 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.347 -13.584 3.646 1.00 0.00 C ATOM 1379 CD LYS A 82 -10.328 -14.102 4.664 1.00 0.00 C ATOM 1380 CE LYS A 82 -11.016 -15.069 5.630 1.00 0.00 C ATOM 1381 NZ LYS A 82 -10.131 -15.319 6.802 1.00 0.00 N ATOM 0 H LYS A 82 -10.557 -10.793 1.422 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.791 -12.390 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.177 -11.853 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.265 -11.572 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.359 -13.808 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.210 -14.089 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.509 -14.606 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.893 -13.268 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.967 -14.652 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.239 -16.008 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.600 -15.976 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.234 -15.734 6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.940 -14.421 7.290 1.00 0.00 H new ATOM 1395 N ARG A 83 -12.743 -9.462 3.633 1.00 0.00 N ATOM 1396 CA ARG A 83 -13.626 -8.518 4.365 1.00 0.00 C ATOM 1397 C ARG A 83 -14.252 -7.528 3.379 1.00 0.00 C ATOM 1398 O ARG A 83 -15.399 -7.151 3.508 1.00 0.00 O ATOM 1399 CB ARG A 83 -12.802 -7.753 5.404 1.00 0.00 C ATOM 1400 CG ARG A 83 -13.670 -6.671 6.048 1.00 0.00 C ATOM 1401 CD ARG A 83 -14.775 -7.329 6.875 1.00 0.00 C ATOM 1402 NE ARG A 83 -15.456 -6.296 7.706 1.00 0.00 N ATOM 1403 CZ ARG A 83 -16.557 -5.738 7.282 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -16.860 -5.773 6.013 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -17.356 -5.148 8.128 1.00 0.00 N ATOM 0 H ARG A 83 -11.793 -9.128 3.469 1.00 0.00 H new ATOM 0 HA ARG A 83 -14.417 -9.076 4.866 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.432 -8.438 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.930 -7.301 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.059 -6.030 6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.107 -6.035 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.496 -7.815 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.353 -8.105 7.514 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.061 -6.025 8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.236 -6.237 5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.721 -5.337 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.120 -5.123 9.120 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.217 -4.712 7.797 1.00 0.00 H new ATOM 1419 N ARG A 84 -13.505 -7.103 2.398 1.00 0.00 N ATOM 1420 CA ARG A 84 -14.050 -6.135 1.405 1.00 0.00 C ATOM 1421 C ARG A 84 -15.314 -6.714 0.752 1.00 0.00 C ATOM 1422 O ARG A 84 -15.240 -7.696 0.041 1.00 0.00 O ATOM 1423 CB ARG A 84 -12.999 -5.881 0.321 1.00 0.00 C ATOM 1424 CG ARG A 84 -11.939 -4.914 0.849 1.00 0.00 C ATOM 1425 CD ARG A 84 -12.299 -3.486 0.437 1.00 0.00 C ATOM 1426 NE ARG A 84 -11.103 -2.611 0.580 1.00 0.00 N ATOM 1427 CZ ARG A 84 -10.564 -2.433 1.755 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -9.720 -3.310 2.226 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -10.870 -1.379 2.460 1.00 0.00 N ATOM 0 H ARG A 84 -12.538 -7.385 2.241 1.00 0.00 H new ATOM 0 HA ARG A 84 -14.299 -5.202 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.533 -6.821 0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.473 -5.466 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -11.875 -4.985 1.935 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.959 -5.181 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.652 -3.472 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -13.113 -3.111 1.058 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.706 -2.151 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.481 -4.135 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.299 -3.170 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.531 -0.694 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.449 -1.240 3.378 1.00 0.00 H new ATOM 1443 N PRO A 85 -16.438 -6.085 1.003 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.727 -6.519 0.439 1.00 0.00 C ATOM 1445 C PRO A 85 -17.840 -6.078 -1.023 1.00 0.00 C ATOM 1446 O PRO A 85 -18.627 -5.218 -1.365 1.00 0.00 O ATOM 1447 CB PRO A 85 -18.763 -5.801 1.308 1.00 0.00 C ATOM 1448 CG PRO A 85 -18.038 -4.586 1.935 1.00 0.00 C ATOM 1449 CD PRO A 85 -16.529 -4.891 1.869 1.00 0.00 C ATOM 0 HA PRO A 85 -17.856 -7.601 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -19.616 -5.479 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.149 -6.465 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.273 -3.672 1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.358 -4.434 2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.971 -4.053 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.118 -5.085 2.860 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.054 -6.659 -1.888 1.00 0.00 N ATOM 1458 CA GLN A 86 -17.111 -6.275 -3.326 1.00 0.00 C ATOM 1459 C GLN A 86 -18.568 -6.240 -3.792 1.00 0.00 C ATOM 1460 O GLN A 86 -19.128 -5.189 -4.029 1.00 0.00 O ATOM 1461 CB GLN A 86 -16.333 -7.296 -4.158 1.00 0.00 C ATOM 1462 CG GLN A 86 -16.008 -6.697 -5.528 1.00 0.00 C ATOM 1463 CD GLN A 86 -15.805 -7.823 -6.543 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -16.383 -7.806 -7.612 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -15.003 -8.812 -6.253 1.00 0.00 N ATOM 0 H GLN A 86 -16.374 -7.384 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 86 -16.667 -5.288 -3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -15.413 -7.575 -3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -16.920 -8.207 -4.277 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -16.818 -6.043 -5.852 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -15.109 -6.084 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.517 -8.828 -5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.863 -9.568 -6.923 1.00 0.00 H new ATOM 1474 N LYS A 87 -19.184 -7.381 -3.933 1.00 0.00 N ATOM 1475 CA LYS A 87 -20.601 -7.410 -4.389 1.00 0.00 C ATOM 1476 C LYS A 87 -21.460 -6.563 -3.448 1.00 0.00 C ATOM 1477 O LYS A 87 -20.952 -6.162 -2.414 1.00 0.00 O ATOM 1478 CB LYS A 87 -21.110 -8.855 -4.385 1.00 0.00 C ATOM 1479 CG LYS A 87 -21.107 -9.399 -5.815 1.00 0.00 C ATOM 1480 CD LYS A 87 -19.665 -9.599 -6.285 1.00 0.00 C ATOM 1481 CE LYS A 87 -19.656 -9.937 -7.776 1.00 0.00 C ATOM 1482 NZ LYS A 87 -18.810 -8.950 -8.506 1.00 0.00 N ATOM 1483 OXT LYS A 87 -22.611 -6.329 -3.778 1.00 0.00 O ATOM 0 H LYS A 87 -18.767 -8.294 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 87 -20.664 -7.005 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.478 -9.473 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -22.117 -8.896 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -21.648 -10.344 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -21.624 -8.707 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.083 -8.695 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.194 -10.401 -5.717 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.271 -10.945 -7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.673 -9.921 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.511 -9.355 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.358 -8.083 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.971 -8.723 -7.935 1.00 0.00 H new TER 1497 LYS A 87