USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 13 MET CE :methyl 152:sc= -7.94! (180deg=-10.1!) USER MOD Set 1.2: A 17 ASN : amide:sc= -5.18! C(o=-13!,f=-14!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 18 SER OG : rot -55:sc= 0.623 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.72! C(o=-3.7!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.159) USER MOD Single : A 46 MET CE :methyl -166:sc= -4.38! (180deg=-4.97!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 3.959 11.337 -15.909 1.00 0.00 N ATOM 2 CA SER A 2 2.971 10.765 -14.951 1.00 0.00 C ATOM 3 C SER A 2 2.998 11.567 -13.649 1.00 0.00 C ATOM 4 O SER A 2 4.033 12.038 -13.218 1.00 0.00 O ATOM 5 CB SER A 2 3.331 9.307 -14.659 1.00 0.00 C ATOM 6 OG SER A 2 4.435 9.266 -13.765 1.00 0.00 O ATOM 0 HA SER A 2 1.973 10.814 -15.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.476 8.790 -14.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.579 8.789 -15.585 1.00 0.00 H new ATOM 0 HG SER A 2 4.667 8.333 -13.575 1.00 0.00 H new ATOM 12 N ASP A 3 1.868 11.729 -13.017 1.00 0.00 N ATOM 13 CA ASP A 3 1.830 12.504 -11.745 1.00 0.00 C ATOM 14 C ASP A 3 1.865 11.539 -10.557 1.00 0.00 C ATOM 15 O ASP A 3 2.759 11.584 -9.736 1.00 0.00 O ATOM 16 CB ASP A 3 0.545 13.335 -11.686 1.00 0.00 C ATOM 17 CG ASP A 3 0.123 13.733 -13.102 1.00 0.00 C ATOM 18 OD1 ASP A 3 0.990 13.826 -13.953 1.00 0.00 O ATOM 19 OD2 ASP A 3 -1.062 13.937 -13.309 1.00 0.00 O ATOM 0 H ASP A 3 0.970 11.358 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 3 2.694 13.168 -11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.249 12.762 -11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.704 14.227 -11.080 1.00 0.00 H new ATOM 24 N LYS A 4 0.898 10.666 -10.461 1.00 0.00 N ATOM 25 CA LYS A 4 0.870 9.702 -9.335 1.00 0.00 C ATOM 26 C LYS A 4 1.940 8.628 -9.566 1.00 0.00 C ATOM 27 O LYS A 4 2.302 8.353 -10.692 1.00 0.00 O ATOM 28 CB LYS A 4 -0.518 9.071 -9.283 1.00 0.00 C ATOM 29 CG LYS A 4 -1.063 9.125 -7.854 1.00 0.00 C ATOM 30 CD LYS A 4 -1.509 7.727 -7.417 1.00 0.00 C ATOM 31 CE LYS A 4 -2.442 7.844 -6.210 1.00 0.00 C ATOM 32 NZ LYS A 4 -3.377 6.684 -6.188 1.00 0.00 N ATOM 0 H LYS A 4 0.124 10.583 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 4 1.079 10.203 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.192 9.598 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.470 8.037 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.296 9.501 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.903 9.818 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.020 7.223 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.641 7.120 -7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.860 7.873 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.004 8.776 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.011 6.764 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.941 6.676 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.833 5.801 -6.120 1.00 0.00 H new ATOM 46 N PRO A 5 2.422 8.062 -8.488 1.00 0.00 N ATOM 47 CA PRO A 5 3.465 7.026 -8.531 1.00 0.00 C ATOM 48 C PRO A 5 2.908 5.678 -8.983 1.00 0.00 C ATOM 49 O PRO A 5 1.713 5.459 -9.012 1.00 0.00 O ATOM 50 CB PRO A 5 3.982 6.959 -7.107 1.00 0.00 C ATOM 51 CG PRO A 5 2.873 7.542 -6.221 1.00 0.00 C ATOM 52 CD PRO A 5 1.973 8.399 -7.129 1.00 0.00 C ATOM 0 HA PRO A 5 4.249 7.264 -9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.207 5.931 -6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.905 7.529 -7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.298 6.745 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.298 8.146 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.919 8.162 -6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.092 9.462 -6.921 1.00 0.00 H new ATOM 60 N LYS A 6 3.778 4.780 -9.342 1.00 0.00 N ATOM 61 CA LYS A 6 3.327 3.439 -9.805 1.00 0.00 C ATOM 62 C LYS A 6 2.956 2.570 -8.600 1.00 0.00 C ATOM 63 O LYS A 6 3.762 1.805 -8.108 1.00 0.00 O ATOM 64 CB LYS A 6 4.445 2.781 -10.609 1.00 0.00 C ATOM 65 CG LYS A 6 4.235 1.264 -10.669 1.00 0.00 C ATOM 66 CD LYS A 6 4.791 0.721 -11.987 1.00 0.00 C ATOM 67 CE LYS A 6 3.754 -0.194 -12.640 1.00 0.00 C ATOM 68 NZ LYS A 6 4.427 -1.085 -13.627 1.00 0.00 N ATOM 0 H LYS A 6 4.789 4.917 -9.335 1.00 0.00 H new ATOM 0 HA LYS A 6 2.447 3.548 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.467 3.192 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.410 3.004 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.734 0.784 -9.827 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.174 1.030 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.038 1.545 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.714 0.171 -11.805 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.250 -0.791 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.988 0.403 -13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.721 -1.707 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.888 -0.507 -14.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.142 -1.664 -13.141 1.00 0.00 H new ATOM 82 N ARG A 7 1.741 2.708 -8.129 1.00 0.00 N ATOM 83 CA ARG A 7 1.250 1.927 -6.952 1.00 0.00 C ATOM 84 C ARG A 7 2.060 0.623 -6.757 1.00 0.00 C ATOM 85 O ARG A 7 2.054 -0.248 -7.603 1.00 0.00 O ATOM 86 CB ARG A 7 -0.223 1.575 -7.164 1.00 0.00 C ATOM 87 CG ARG A 7 -1.087 2.396 -6.206 1.00 0.00 C ATOM 88 CD ARG A 7 -2.316 2.924 -6.949 1.00 0.00 C ATOM 89 NE ARG A 7 -1.888 3.586 -8.214 1.00 0.00 N ATOM 90 CZ ARG A 7 -2.738 3.730 -9.194 1.00 0.00 C ATOM 91 NH1 ARG A 7 -4.016 3.818 -8.944 1.00 0.00 N ATOM 92 NH2 ARG A 7 -2.308 3.789 -10.425 1.00 0.00 N ATOM 0 H ARG A 7 1.051 3.347 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 7 1.374 2.541 -6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.512 1.778 -8.195 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.382 0.510 -6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.397 1.781 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.510 3.227 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.001 2.105 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.857 3.632 -6.321 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.932 3.926 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.352 3.774 -7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.679 3.931 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.309 3.723 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.971 3.901 -11.192 1.00 0.00 H new ATOM 106 N PRO A 8 2.732 0.556 -5.634 1.00 0.00 N ATOM 107 CA PRO A 8 3.577 -0.584 -5.237 1.00 0.00 C ATOM 108 C PRO A 8 2.717 -1.714 -4.661 1.00 0.00 C ATOM 109 O PRO A 8 1.686 -1.478 -4.064 1.00 0.00 O ATOM 110 CB PRO A 8 4.483 0.020 -4.153 1.00 0.00 C ATOM 111 CG PRO A 8 3.735 1.263 -3.603 1.00 0.00 C ATOM 112 CD PRO A 8 2.711 1.647 -4.660 1.00 0.00 C ATOM 0 HA PRO A 8 4.133 -1.022 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.674 -0.702 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.451 0.301 -4.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.248 1.036 -2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.428 2.083 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.720 1.764 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.967 2.597 -5.129 1.00 0.00 H new ATOM 120 N LEU A 9 3.133 -2.939 -4.831 1.00 0.00 N ATOM 121 CA LEU A 9 2.339 -4.076 -4.289 1.00 0.00 C ATOM 122 C LEU A 9 3.267 -5.254 -3.955 1.00 0.00 C ATOM 123 O LEU A 9 4.242 -5.510 -4.634 1.00 0.00 O ATOM 124 CB LEU A 9 1.250 -4.484 -5.298 1.00 0.00 C ATOM 125 CG LEU A 9 1.848 -5.139 -6.552 1.00 0.00 C ATOM 126 CD1 LEU A 9 3.044 -4.333 -7.062 1.00 0.00 C ATOM 127 CD2 LEU A 9 2.284 -6.565 -6.221 1.00 0.00 C ATOM 0 H LEU A 9 3.988 -3.201 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 9 1.845 -3.768 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.556 -5.177 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.675 -3.604 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 9 1.090 -5.161 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.454 -4.813 -7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.722 -3.322 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.810 -4.289 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.709 -7.031 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.034 -6.542 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.421 -7.141 -5.886 1.00 0.00 H new ATOM 139 N SER A 10 2.975 -5.949 -2.886 1.00 0.00 N ATOM 140 CA SER A 10 3.829 -7.097 -2.442 1.00 0.00 C ATOM 141 C SER A 10 4.261 -7.976 -3.623 1.00 0.00 C ATOM 142 O SER A 10 3.577 -8.089 -4.622 1.00 0.00 O ATOM 143 CB SER A 10 3.036 -7.949 -1.451 1.00 0.00 C ATOM 144 OG SER A 10 2.733 -7.172 -0.299 1.00 0.00 O ATOM 0 H SER A 10 2.167 -5.768 -2.290 1.00 0.00 H new ATOM 0 HA SER A 10 4.728 -6.692 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.117 -8.306 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.613 -8.830 -1.168 1.00 0.00 H new ATOM 0 HG SER A 10 2.223 -7.716 0.337 1.00 0.00 H new ATOM 150 N ALA A 11 5.395 -8.621 -3.493 1.00 0.00 N ATOM 151 CA ALA A 11 5.885 -9.515 -4.580 1.00 0.00 C ATOM 152 C ALA A 11 4.898 -10.669 -4.752 1.00 0.00 C ATOM 153 O ALA A 11 4.508 -11.008 -5.853 1.00 0.00 O ATOM 154 CB ALA A 11 7.261 -10.072 -4.205 1.00 0.00 C ATOM 0 H ALA A 11 6.003 -8.564 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 11 5.967 -8.954 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.618 -10.726 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.962 -9.249 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.184 -10.639 -3.277 1.00 0.00 H new ATOM 160 N TYR A 12 4.473 -11.264 -3.669 1.00 0.00 N ATOM 161 CA TYR A 12 3.496 -12.372 -3.767 1.00 0.00 C ATOM 162 C TYR A 12 2.316 -11.894 -4.606 1.00 0.00 C ATOM 163 O TYR A 12 1.614 -12.672 -5.222 1.00 0.00 O ATOM 164 CB TYR A 12 3.020 -12.717 -2.361 1.00 0.00 C ATOM 165 CG TYR A 12 1.774 -13.564 -2.444 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.836 -14.819 -3.051 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.564 -13.096 -1.920 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.691 -15.612 -3.137 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.586 -13.891 -2.004 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.521 -15.150 -2.613 1.00 0.00 C ATOM 171 OH TYR A 12 -1.653 -15.935 -2.697 1.00 0.00 O ATOM 0 H TYR A 12 4.765 -11.025 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 12 3.945 -13.252 -4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.802 -13.253 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.815 -11.805 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.771 -15.177 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.517 -12.124 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.741 -16.583 -3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.521 -13.533 -1.600 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.408 -15.466 -2.284 1.00 0.00 H new ATOM 181 N MET A 13 2.098 -10.610 -4.627 1.00 0.00 N ATOM 182 CA MET A 13 0.970 -10.057 -5.416 1.00 0.00 C ATOM 183 C MET A 13 1.356 -10.014 -6.897 1.00 0.00 C ATOM 184 O MET A 13 0.545 -10.284 -7.758 1.00 0.00 O ATOM 185 CB MET A 13 0.651 -8.648 -4.915 1.00 0.00 C ATOM 186 CG MET A 13 -0.606 -8.683 -4.042 1.00 0.00 C ATOM 187 SD MET A 13 -2.071 -8.478 -5.082 1.00 0.00 S ATOM 188 CE MET A 13 -2.107 -10.159 -5.744 1.00 0.00 C ATOM 0 H MET A 13 2.657 -9.918 -4.128 1.00 0.00 H new ATOM 0 HA MET A 13 0.090 -10.689 -5.298 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.492 -8.256 -4.343 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.500 -7.977 -5.760 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.660 -9.628 -3.502 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.564 -7.891 -3.294 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.133 -10.429 -5.995 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.489 -10.210 -6.640 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.721 -10.853 -4.997 1.00 0.00 H new ATOM 198 N LEU A 14 2.587 -9.689 -7.210 1.00 0.00 N ATOM 199 CA LEU A 14 2.980 -9.658 -8.653 1.00 0.00 C ATOM 200 C LEU A 14 2.711 -11.037 -9.254 1.00 0.00 C ATOM 201 O LEU A 14 2.013 -11.173 -10.238 1.00 0.00 O ATOM 202 CB LEU A 14 4.468 -9.322 -8.823 1.00 0.00 C ATOM 203 CG LEU A 14 4.839 -8.101 -7.973 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.350 -7.852 -8.044 1.00 0.00 C ATOM 205 CD2 LEU A 14 4.105 -6.876 -8.518 1.00 0.00 C ATOM 0 H LEU A 14 3.322 -9.449 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 14 2.399 -8.886 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.077 -10.177 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.685 -9.122 -9.872 1.00 0.00 H new ATOM 0 HG LEU A 14 4.554 -8.282 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.604 -6.983 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.881 -8.726 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.641 -7.670 -9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.362 -6.002 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.399 -6.706 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.029 -7.045 -8.469 1.00 0.00 H new ATOM 217 N TRP A 15 3.256 -12.064 -8.659 1.00 0.00 N ATOM 218 CA TRP A 15 3.029 -13.441 -9.183 1.00 0.00 C ATOM 219 C TRP A 15 1.528 -13.733 -9.182 1.00 0.00 C ATOM 220 O TRP A 15 1.009 -14.373 -10.075 1.00 0.00 O ATOM 221 CB TRP A 15 3.751 -14.445 -8.285 1.00 0.00 C ATOM 222 CG TRP A 15 3.346 -15.834 -8.657 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.913 -16.572 -9.638 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.304 -16.662 -8.071 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.281 -17.803 -9.692 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.282 -17.905 -8.744 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.383 -16.454 -7.029 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.378 -18.909 -8.395 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.473 -17.461 -6.676 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.469 -18.686 -7.357 1.00 0.00 C ATOM 0 H TRP A 15 3.850 -12.008 -7.831 1.00 0.00 H new ATOM 0 HA TRP A 15 3.415 -13.523 -10.199 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.830 -14.330 -8.389 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.509 -14.253 -7.240 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.725 -16.254 -10.275 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.523 -18.543 -10.351 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.376 -15.514 -6.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.381 -19.851 -8.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.230 -17.291 -5.874 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.235 -19.456 -7.080 1.00 0.00 H new ATOM 241 N LEU A 16 0.827 -13.259 -8.189 1.00 0.00 N ATOM 242 CA LEU A 16 -0.642 -13.493 -8.124 1.00 0.00 C ATOM 243 C LEU A 16 -1.295 -12.928 -9.386 1.00 0.00 C ATOM 244 O LEU A 16 -2.234 -13.487 -9.920 1.00 0.00 O ATOM 245 CB LEU A 16 -1.213 -12.774 -6.899 1.00 0.00 C ATOM 246 CG LEU A 16 -1.939 -13.777 -6.006 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.099 -14.405 -6.783 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.963 -14.873 -5.575 1.00 0.00 C ATOM 0 H LEU A 16 1.212 -12.717 -7.416 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.842 -14.562 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.410 -12.291 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.900 -11.989 -7.214 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.326 -13.266 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.618 -15.121 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.794 -13.625 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.712 -14.917 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.480 -15.590 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.577 -15.384 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.136 -14.427 -5.023 1.00 0.00 H new ATOM 260 N ASN A 17 -0.804 -11.819 -9.864 1.00 0.00 N ATOM 261 CA ASN A 17 -1.380 -11.205 -11.084 1.00 0.00 C ATOM 262 C ASN A 17 -0.892 -11.968 -12.316 1.00 0.00 C ATOM 263 O ASN A 17 -1.479 -11.899 -13.377 1.00 0.00 O ATOM 264 CB ASN A 17 -0.926 -9.756 -11.161 1.00 0.00 C ATOM 265 CG ASN A 17 -0.835 -9.165 -9.749 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.710 -9.376 -8.932 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.195 -8.428 -9.427 1.00 0.00 N ATOM 0 H ASN A 17 -0.021 -11.310 -9.455 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.469 -11.248 -11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.044 -9.695 -11.654 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.626 -9.177 -11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.265 -8.030 -8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.929 -8.251 -10.112 1.00 0.00 H new ATOM 274 N SER A 18 0.181 -12.698 -12.179 1.00 0.00 N ATOM 275 CA SER A 18 0.716 -13.470 -13.336 1.00 0.00 C ATOM 276 C SER A 18 0.113 -14.878 -13.346 1.00 0.00 C ATOM 277 O SER A 18 0.310 -15.639 -14.274 1.00 0.00 O ATOM 278 CB SER A 18 2.232 -13.569 -13.222 1.00 0.00 C ATOM 279 OG SER A 18 2.576 -14.753 -12.514 1.00 0.00 O ATOM 0 H SER A 18 0.712 -12.793 -11.313 1.00 0.00 H new ATOM 0 HA SER A 18 0.450 -12.959 -14.262 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.682 -13.582 -14.215 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.627 -12.695 -12.704 1.00 0.00 H new ATOM 0 HG SER A 18 2.113 -14.764 -11.651 1.00 0.00 H new ATOM 285 N ALA A 19 -0.618 -15.234 -12.325 1.00 0.00 N ATOM 286 CA ALA A 19 -1.228 -16.595 -12.285 1.00 0.00 C ATOM 287 C ALA A 19 -2.743 -16.479 -12.124 1.00 0.00 C ATOM 288 O ALA A 19 -3.435 -17.466 -12.007 1.00 0.00 O ATOM 289 CB ALA A 19 -0.664 -17.377 -11.098 1.00 0.00 C ATOM 0 H ALA A 19 -0.819 -14.643 -11.518 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.995 -17.114 -13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.111 -18.371 -11.071 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.417 -17.468 -11.203 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.895 -16.850 -10.172 1.00 0.00 H new ATOM 295 N ARG A 20 -3.263 -15.285 -12.106 1.00 0.00 N ATOM 296 CA ARG A 20 -4.735 -15.121 -11.938 1.00 0.00 C ATOM 297 C ARG A 20 -5.474 -15.835 -13.072 1.00 0.00 C ATOM 298 O ARG A 20 -6.231 -16.757 -12.843 1.00 0.00 O ATOM 299 CB ARG A 20 -5.089 -13.634 -11.958 1.00 0.00 C ATOM 300 CG ARG A 20 -6.046 -13.319 -10.808 1.00 0.00 C ATOM 301 CD ARG A 20 -6.385 -11.828 -10.827 1.00 0.00 C ATOM 302 NE ARG A 20 -7.777 -11.628 -10.338 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.035 -10.687 -9.472 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.630 -9.466 -9.696 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.695 -10.964 -8.380 1.00 0.00 N ATOM 0 H ARG A 20 -2.736 -14.417 -12.200 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.035 -15.557 -10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.184 -13.033 -11.866 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.550 -13.372 -12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.956 -13.912 -10.904 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.589 -13.588 -9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.685 -11.277 -10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.284 -11.434 -11.838 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.529 -12.227 -10.680 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.112 -9.249 -10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.831 -8.730 -9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.010 -11.918 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.896 -10.227 -7.704 1.00 0.00 H new ATOM 319 N GLU A 21 -5.271 -15.415 -14.288 1.00 0.00 N ATOM 320 CA GLU A 21 -5.974 -16.070 -15.427 1.00 0.00 C ATOM 321 C GLU A 21 -5.598 -17.550 -15.486 1.00 0.00 C ATOM 322 O GLU A 21 -6.441 -18.410 -15.656 1.00 0.00 O ATOM 323 CB GLU A 21 -5.569 -15.387 -16.736 1.00 0.00 C ATOM 324 CG GLU A 21 -6.138 -13.968 -16.771 1.00 0.00 C ATOM 325 CD GLU A 21 -6.677 -13.666 -18.170 1.00 0.00 C ATOM 326 OE1 GLU A 21 -7.717 -14.203 -18.510 1.00 0.00 O ATOM 327 OE2 GLU A 21 -6.037 -12.905 -18.877 1.00 0.00 O ATOM 0 H GLU A 21 -4.650 -14.648 -14.544 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.051 -15.979 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.483 -15.356 -16.821 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.939 -15.959 -17.586 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.934 -13.866 -16.034 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.364 -13.248 -16.505 1.00 0.00 H new ATOM 334 N SER A 22 -4.339 -17.854 -15.355 1.00 0.00 N ATOM 335 CA SER A 22 -3.907 -19.280 -15.412 1.00 0.00 C ATOM 336 C SER A 22 -4.374 -20.013 -14.154 1.00 0.00 C ATOM 337 O SER A 22 -4.331 -21.226 -14.083 1.00 0.00 O ATOM 338 CB SER A 22 -2.383 -19.349 -15.502 1.00 0.00 C ATOM 339 OG SER A 22 -2.016 -20.052 -16.681 1.00 0.00 O ATOM 0 H SER A 22 -3.589 -17.178 -15.211 1.00 0.00 H new ATOM 0 HA SER A 22 -4.347 -19.753 -16.290 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.962 -18.344 -15.518 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.977 -19.851 -14.624 1.00 0.00 H new ATOM 0 HG SER A 22 -1.039 -20.097 -16.744 1.00 0.00 H new ATOM 345 N ILE A 23 -4.826 -19.295 -13.165 1.00 0.00 N ATOM 346 CA ILE A 23 -5.300 -19.963 -11.923 1.00 0.00 C ATOM 347 C ILE A 23 -6.765 -20.358 -12.109 1.00 0.00 C ATOM 348 O ILE A 23 -7.176 -21.447 -11.760 1.00 0.00 O ATOM 349 CB ILE A 23 -5.145 -18.995 -10.736 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.769 -19.200 -10.096 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.225 -19.252 -9.678 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.530 -18.113 -9.047 1.00 0.00 C ATOM 0 H ILE A 23 -4.888 -18.277 -13.163 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.711 -20.858 -11.720 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.248 -17.975 -11.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.714 -20.186 -9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.991 -19.162 -10.859 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.095 -18.556 -8.849 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.210 -19.108 -10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.138 -20.274 -9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.551 -18.257 -8.590 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.567 -17.133 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.301 -18.173 -8.279 1.00 0.00 H new ATOM 364 N LYS A 24 -7.557 -19.477 -12.648 1.00 0.00 N ATOM 365 CA LYS A 24 -8.988 -19.789 -12.849 1.00 0.00 C ATOM 366 C LYS A 24 -9.133 -20.915 -13.882 1.00 0.00 C ATOM 367 O LYS A 24 -10.157 -21.564 -13.968 1.00 0.00 O ATOM 368 CB LYS A 24 -9.690 -18.515 -13.325 1.00 0.00 C ATOM 369 CG LYS A 24 -9.626 -18.419 -14.849 1.00 0.00 C ATOM 370 CD LYS A 24 -10.361 -17.163 -15.319 1.00 0.00 C ATOM 371 CE LYS A 24 -11.588 -17.566 -16.139 1.00 0.00 C ATOM 372 NZ LYS A 24 -12.629 -16.506 -16.026 1.00 0.00 N ATOM 0 H LYS A 24 -7.268 -18.549 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.443 -20.129 -11.919 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.729 -18.519 -12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.217 -17.641 -12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.587 -18.388 -15.178 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.076 -19.305 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.665 -16.564 -14.461 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.696 -16.543 -15.921 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.310 -17.708 -17.183 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.982 -18.517 -15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.464 -16.779 -16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.901 -16.391 -15.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.250 -15.607 -16.387 1.00 0.00 H new ATOM 386 N ARG A 25 -8.119 -21.143 -14.674 1.00 0.00 N ATOM 387 CA ARG A 25 -8.204 -22.215 -15.704 1.00 0.00 C ATOM 388 C ARG A 25 -7.488 -23.475 -15.209 1.00 0.00 C ATOM 389 O ARG A 25 -7.845 -24.580 -15.566 1.00 0.00 O ATOM 390 CB ARG A 25 -7.543 -21.730 -16.996 1.00 0.00 C ATOM 391 CG ARG A 25 -8.240 -20.457 -17.481 1.00 0.00 C ATOM 392 CD ARG A 25 -8.382 -20.492 -18.995 1.00 0.00 C ATOM 393 NE ARG A 25 -8.880 -21.829 -19.421 1.00 0.00 N ATOM 394 CZ ARG A 25 -8.613 -22.273 -20.618 1.00 0.00 C ATOM 395 NH1 ARG A 25 -7.373 -22.397 -21.006 1.00 0.00 N ATOM 396 NH2 ARG A 25 -9.584 -22.592 -21.428 1.00 0.00 N ATOM 0 H ARG A 25 -7.236 -20.632 -14.651 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.252 -22.450 -15.891 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.485 -21.534 -16.824 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.604 -22.504 -17.761 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.222 -20.370 -17.016 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.666 -19.580 -17.181 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.072 -19.715 -19.323 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.421 -20.284 -19.465 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.430 -22.398 -18.777 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.613 -22.147 -20.373 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.164 -22.744 -21.942 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.553 -22.494 -21.126 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.374 -22.939 -22.364 1.00 0.00 H new ATOM 410 N GLU A 26 -6.479 -23.322 -14.397 1.00 0.00 N ATOM 411 CA GLU A 26 -5.743 -24.513 -13.892 1.00 0.00 C ATOM 412 C GLU A 26 -6.377 -24.993 -12.584 1.00 0.00 C ATOM 413 O GLU A 26 -5.718 -25.562 -11.737 1.00 0.00 O ATOM 414 CB GLU A 26 -4.281 -24.138 -13.639 1.00 0.00 C ATOM 415 CG GLU A 26 -3.529 -24.076 -14.970 1.00 0.00 C ATOM 416 CD GLU A 26 -3.228 -25.495 -15.454 1.00 0.00 C ATOM 417 OE1 GLU A 26 -4.097 -26.342 -15.320 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.135 -25.710 -15.952 1.00 0.00 O ATOM 0 H GLU A 26 -6.133 -22.423 -14.062 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.794 -25.310 -14.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.225 -23.174 -13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.816 -24.872 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.126 -23.546 -15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.601 -23.517 -14.850 1.00 0.00 H new ATOM 425 N ASN A 27 -7.650 -24.768 -12.410 1.00 0.00 N ATOM 426 CA ASN A 27 -8.317 -25.211 -11.152 1.00 0.00 C ATOM 427 C ASN A 27 -9.656 -25.875 -11.478 1.00 0.00 C ATOM 428 O ASN A 27 -10.266 -25.587 -12.487 1.00 0.00 O ATOM 429 CB ASN A 27 -8.559 -23.999 -10.250 1.00 0.00 C ATOM 430 CG ASN A 27 -7.247 -23.596 -9.574 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.448 -24.440 -9.220 1.00 0.00 O ATOM 432 ND2 ASN A 27 -6.992 -22.333 -9.377 1.00 0.00 N ATOM 0 H ASN A 27 -8.256 -24.298 -13.082 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.675 -25.928 -10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.948 -23.167 -10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.310 -24.237 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.121 -22.053 -8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.663 -21.625 -9.674 1.00 0.00 H new ATOM 439 N PRO A 28 -10.067 -26.748 -10.597 1.00 0.00 N ATOM 440 CA PRO A 28 -11.333 -27.483 -10.732 1.00 0.00 C ATOM 441 C PRO A 28 -12.517 -26.594 -10.361 1.00 0.00 C ATOM 442 O PRO A 28 -13.140 -26.779 -9.334 1.00 0.00 O ATOM 443 CB PRO A 28 -11.196 -28.629 -9.745 1.00 0.00 C ATOM 444 CG PRO A 28 -10.138 -28.195 -8.724 1.00 0.00 C ATOM 445 CD PRO A 28 -9.308 -27.083 -9.381 1.00 0.00 C ATOM 0 HA PRO A 28 -11.515 -27.822 -11.752 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.147 -28.835 -9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.894 -29.545 -10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.610 -27.835 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.503 -29.036 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.205 -26.220 -8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.301 -27.424 -9.620 1.00 0.00 H new ATOM 453 N GLY A 29 -12.827 -25.619 -11.172 1.00 0.00 N ATOM 454 CA GLY A 29 -13.963 -24.719 -10.832 1.00 0.00 C ATOM 455 C GLY A 29 -13.821 -24.311 -9.368 1.00 0.00 C ATOM 456 O GLY A 29 -14.784 -24.018 -8.689 1.00 0.00 O ATOM 0 H GLY A 29 -12.347 -25.409 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.957 -23.839 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.913 -25.227 -10.995 1.00 0.00 H new ATOM 460 N ILE A 30 -12.609 -24.310 -8.879 1.00 0.00 N ATOM 461 CA ILE A 30 -12.360 -23.944 -7.464 1.00 0.00 C ATOM 462 C ILE A 30 -13.248 -22.767 -7.055 1.00 0.00 C ATOM 463 O ILE A 30 -13.644 -21.962 -7.874 1.00 0.00 O ATOM 464 CB ILE A 30 -10.894 -23.571 -7.315 1.00 0.00 C ATOM 465 CG1 ILE A 30 -10.572 -23.283 -5.848 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.627 -22.336 -8.151 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.068 -23.055 -5.697 1.00 0.00 C ATOM 0 H ILE A 30 -11.773 -24.551 -9.412 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.598 -24.788 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.266 -24.396 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.121 -22.404 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.890 -24.118 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.579 -22.053 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.853 -22.548 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.257 -21.518 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.834 -22.849 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.531 -23.946 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.765 -22.206 -6.310 1.00 0.00 H new ATOM 479 N LYS A 31 -13.561 -22.663 -5.793 1.00 0.00 N ATOM 480 CA LYS A 31 -14.422 -21.540 -5.328 1.00 0.00 C ATOM 481 C LYS A 31 -13.691 -20.211 -5.534 1.00 0.00 C ATOM 482 O LYS A 31 -12.501 -20.105 -5.313 1.00 0.00 O ATOM 483 CB LYS A 31 -14.734 -21.721 -3.841 1.00 0.00 C ATOM 484 CG LYS A 31 -16.241 -21.899 -3.655 1.00 0.00 C ATOM 485 CD LYS A 31 -16.736 -23.023 -4.566 1.00 0.00 C ATOM 486 CE LYS A 31 -17.690 -23.929 -3.785 1.00 0.00 C ATOM 487 NZ LYS A 31 -18.334 -24.893 -4.718 1.00 0.00 N ATOM 0 H LYS A 31 -13.257 -23.308 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.350 -21.536 -5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.203 -22.589 -3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.387 -20.855 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.465 -22.134 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.760 -20.970 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.244 -22.604 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.891 -23.602 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.145 -24.466 -3.009 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.449 -23.329 -3.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.983 -25.509 -4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.867 -24.371 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.603 -25.473 -5.177 1.00 0.00 H new ATOM 501 N VAL A 32 -14.395 -19.195 -5.954 1.00 0.00 N ATOM 502 CA VAL A 32 -13.751 -17.880 -6.174 1.00 0.00 C ATOM 503 C VAL A 32 -12.986 -17.476 -4.905 1.00 0.00 C ATOM 504 O VAL A 32 -12.043 -16.711 -4.956 1.00 0.00 O ATOM 505 CB VAL A 32 -14.824 -16.833 -6.540 1.00 0.00 C ATOM 506 CG1 VAL A 32 -16.188 -17.282 -6.043 1.00 0.00 C ATOM 507 CG2 VAL A 32 -14.498 -15.489 -5.904 1.00 0.00 C ATOM 0 H VAL A 32 -15.395 -19.225 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 32 -13.043 -17.940 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.837 -16.732 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.936 -16.534 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.448 -18.235 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -16.160 -17.399 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.266 -14.763 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.466 -15.598 -4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.529 -15.142 -6.263 1.00 0.00 H new ATOM 517 N THR A 33 -13.387 -17.981 -3.770 1.00 0.00 N ATOM 518 CA THR A 33 -12.684 -17.621 -2.505 1.00 0.00 C ATOM 519 C THR A 33 -11.452 -18.512 -2.326 1.00 0.00 C ATOM 520 O THR A 33 -10.411 -18.067 -1.887 1.00 0.00 O ATOM 521 CB THR A 33 -13.633 -17.820 -1.321 1.00 0.00 C ATOM 522 OG1 THR A 33 -14.150 -19.144 -1.347 1.00 0.00 O ATOM 523 CG2 THR A 33 -14.787 -16.819 -1.413 1.00 0.00 C ATOM 0 H THR A 33 -14.170 -18.626 -3.664 1.00 0.00 H new ATOM 0 HA THR A 33 -12.370 -16.578 -2.551 1.00 0.00 H new ATOM 0 HB THR A 33 -13.089 -17.659 -0.390 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.757 -19.273 -0.588 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.461 -16.963 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.391 -15.804 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.332 -16.977 -2.344 1.00 0.00 H new ATOM 531 N GLU A 34 -11.563 -19.769 -2.661 1.00 0.00 N ATOM 532 CA GLU A 34 -10.397 -20.686 -2.506 1.00 0.00 C ATOM 533 C GLU A 34 -9.372 -20.400 -3.604 1.00 0.00 C ATOM 534 O GLU A 34 -8.276 -20.924 -3.595 1.00 0.00 O ATOM 535 CB GLU A 34 -10.872 -22.136 -2.624 1.00 0.00 C ATOM 536 CG GLU A 34 -11.397 -22.616 -1.270 1.00 0.00 C ATOM 537 CD GLU A 34 -12.480 -23.673 -1.489 1.00 0.00 C ATOM 538 OE1 GLU A 34 -12.138 -24.765 -1.912 1.00 0.00 O ATOM 539 OE2 GLU A 34 -13.634 -23.373 -1.229 1.00 0.00 O ATOM 0 H GLU A 34 -12.409 -20.200 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.939 -20.528 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.656 -22.212 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.051 -22.773 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.582 -23.033 -0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.803 -21.776 -0.706 1.00 0.00 H new ATOM 546 N VAL A 35 -9.719 -19.576 -4.554 1.00 0.00 N ATOM 547 CA VAL A 35 -8.767 -19.263 -5.653 1.00 0.00 C ATOM 548 C VAL A 35 -7.626 -18.395 -5.118 1.00 0.00 C ATOM 549 O VAL A 35 -6.522 -18.426 -5.624 1.00 0.00 O ATOM 550 CB VAL A 35 -9.511 -18.517 -6.758 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.509 -17.869 -7.716 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.389 -19.504 -7.531 1.00 0.00 C ATOM 0 H VAL A 35 -10.622 -19.106 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.350 -20.187 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.133 -17.740 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.047 -17.339 -8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.883 -17.166 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.882 -18.640 -8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.922 -18.975 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.763 -20.280 -7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -11.108 -19.961 -6.851 1.00 0.00 H new ATOM 562 N ALA A 36 -7.882 -17.619 -4.100 1.00 0.00 N ATOM 563 CA ALA A 36 -6.812 -16.750 -3.539 1.00 0.00 C ATOM 564 C ALA A 36 -6.074 -17.493 -2.423 1.00 0.00 C ATOM 565 O ALA A 36 -4.875 -17.369 -2.270 1.00 0.00 O ATOM 566 CB ALA A 36 -7.437 -15.473 -2.974 1.00 0.00 C ATOM 0 H ALA A 36 -8.786 -17.550 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.106 -16.493 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.654 -14.836 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.958 -14.940 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.145 -15.732 -2.187 1.00 0.00 H new ATOM 572 N LYS A 37 -6.780 -18.263 -1.640 1.00 0.00 N ATOM 573 CA LYS A 37 -6.121 -19.007 -0.537 1.00 0.00 C ATOM 574 C LYS A 37 -5.144 -20.031 -1.121 1.00 0.00 C ATOM 575 O LYS A 37 -4.134 -20.351 -0.526 1.00 0.00 O ATOM 576 CB LYS A 37 -7.197 -19.701 0.285 1.00 0.00 C ATOM 577 CG LYS A 37 -6.586 -20.836 1.114 1.00 0.00 C ATOM 578 CD LYS A 37 -7.048 -22.184 0.557 1.00 0.00 C ATOM 579 CE LYS A 37 -5.863 -23.152 0.522 1.00 0.00 C ATOM 580 NZ LYS A 37 -5.358 -23.370 1.907 1.00 0.00 N ATOM 0 H LYS A 37 -7.787 -18.407 -1.720 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.560 -18.325 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.682 -18.981 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.968 -20.098 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.498 -20.774 1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.886 -20.740 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.847 -22.592 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.456 -22.055 -0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.168 -24.101 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.069 -22.749 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.722 -24.193 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.839 -22.526 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.160 -23.543 2.546 1.00 0.00 H new ATOM 594 N ARG A 38 -5.436 -20.544 -2.285 1.00 0.00 N ATOM 595 CA ARG A 38 -4.525 -21.541 -2.912 1.00 0.00 C ATOM 596 C ARG A 38 -3.340 -20.817 -3.554 1.00 0.00 C ATOM 597 O ARG A 38 -2.304 -21.397 -3.799 1.00 0.00 O ATOM 598 CB ARG A 38 -5.292 -22.316 -3.984 1.00 0.00 C ATOM 599 CG ARG A 38 -5.554 -23.743 -3.497 1.00 0.00 C ATOM 600 CD ARG A 38 -6.789 -23.756 -2.596 1.00 0.00 C ATOM 601 NE ARG A 38 -7.130 -25.163 -2.241 1.00 0.00 N ATOM 602 CZ ARG A 38 -7.936 -25.406 -1.244 1.00 0.00 C ATOM 603 NH1 ARG A 38 -9.203 -25.109 -1.342 1.00 0.00 N ATOM 604 NH2 ARG A 38 -7.476 -25.947 -0.149 1.00 0.00 N ATOM 0 H ARG A 38 -6.268 -20.315 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.157 -22.231 -2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.236 -21.817 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.720 -22.337 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.705 -24.407 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.688 -24.117 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.599 -23.177 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.629 -23.284 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.734 -25.935 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.563 -24.687 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.833 -25.299 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.486 -26.180 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.107 -26.137 0.630 1.00 0.00 H new ATOM 618 N GLY A 39 -3.483 -19.550 -3.832 1.00 0.00 N ATOM 619 CA GLY A 39 -2.362 -18.793 -4.462 1.00 0.00 C ATOM 620 C GLY A 39 -1.134 -18.831 -3.549 1.00 0.00 C ATOM 621 O GLY A 39 -0.035 -18.514 -3.961 1.00 0.00 O ATOM 0 H GLY A 39 -4.326 -19.006 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.119 -19.226 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.663 -17.761 -4.640 1.00 0.00 H new ATOM 625 N GLY A 40 -1.308 -19.214 -2.313 1.00 0.00 N ATOM 626 CA GLY A 40 -0.146 -19.268 -1.380 1.00 0.00 C ATOM 627 C GLY A 40 0.572 -20.610 -1.528 1.00 0.00 C ATOM 628 O GLY A 40 1.775 -20.700 -1.382 1.00 0.00 O ATOM 0 H GLY A 40 -2.203 -19.491 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.543 -18.451 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.486 -19.138 -0.353 1.00 0.00 H new ATOM 632 N GLU A 41 -0.155 -21.656 -1.814 1.00 0.00 N ATOM 633 CA GLU A 41 0.489 -22.990 -1.968 1.00 0.00 C ATOM 634 C GLU A 41 1.442 -22.968 -3.168 1.00 0.00 C ATOM 635 O GLU A 41 2.515 -23.536 -3.134 1.00 0.00 O ATOM 636 CB GLU A 41 -0.591 -24.058 -2.166 1.00 0.00 C ATOM 637 CG GLU A 41 -0.996 -24.148 -3.641 1.00 0.00 C ATOM 638 CD GLU A 41 -2.215 -25.060 -3.782 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.295 -26.028 -3.044 1.00 0.00 O ATOM 640 OE2 GLU A 41 -3.049 -24.776 -4.627 1.00 0.00 O ATOM 0 H GLU A 41 -1.166 -21.644 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 41 1.061 -23.226 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.221 -25.025 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.463 -23.818 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.225 -23.155 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.168 -24.537 -4.233 1.00 0.00 H new ATOM 647 N LEU A 42 1.053 -22.319 -4.230 1.00 0.00 N ATOM 648 CA LEU A 42 1.924 -22.261 -5.434 1.00 0.00 C ATOM 649 C LEU A 42 3.044 -21.240 -5.217 1.00 0.00 C ATOM 650 O LEU A 42 4.180 -21.464 -5.582 1.00 0.00 O ATOM 651 CB LEU A 42 1.084 -21.843 -6.640 1.00 0.00 C ATOM 652 CG LEU A 42 0.359 -23.064 -7.206 1.00 0.00 C ATOM 653 CD1 LEU A 42 -0.406 -22.662 -8.469 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.382 -24.148 -7.553 1.00 0.00 C ATOM 0 H LEU A 42 0.165 -21.824 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 42 2.364 -23.243 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.361 -21.082 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.722 -21.399 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.341 -23.448 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.923 -23.532 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.134 -21.889 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.294 -22.278 -9.212 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.866 -25.019 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.081 -23.764 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.928 -24.434 -6.654 1.00 0.00 H new ATOM 666 N TRP A 43 2.730 -20.118 -4.632 1.00 0.00 N ATOM 667 CA TRP A 43 3.772 -19.077 -4.397 1.00 0.00 C ATOM 668 C TRP A 43 4.895 -19.649 -3.528 1.00 0.00 C ATOM 669 O TRP A 43 5.988 -19.118 -3.483 1.00 0.00 O ATOM 670 CB TRP A 43 3.139 -17.886 -3.681 1.00 0.00 C ATOM 671 CG TRP A 43 4.212 -16.958 -3.206 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.710 -16.926 -1.949 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.921 -15.933 -3.955 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.680 -15.941 -1.879 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.847 -15.300 -3.092 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.851 -15.492 -5.288 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.673 -14.266 -3.536 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.681 -14.455 -5.739 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.590 -13.842 -4.865 1.00 0.00 C ATOM 0 H TRP A 43 1.795 -19.875 -4.305 1.00 0.00 H new ATOM 0 HA TRP A 43 4.185 -18.759 -5.354 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.462 -17.361 -4.355 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.543 -18.231 -2.836 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.402 -17.564 -1.134 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.207 -15.716 -1.035 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.153 -15.955 -5.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.371 -13.797 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.619 -14.127 -6.766 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.225 -13.043 -5.218 1.00 0.00 H new ATOM 690 N ARG A 44 4.637 -20.717 -2.826 1.00 0.00 N ATOM 691 CA ARG A 44 5.690 -21.302 -1.953 1.00 0.00 C ATOM 692 C ARG A 44 6.572 -22.259 -2.761 1.00 0.00 C ATOM 693 O ARG A 44 7.773 -22.304 -2.588 1.00 0.00 O ATOM 694 CB ARG A 44 5.028 -22.068 -0.805 1.00 0.00 C ATOM 695 CG ARG A 44 6.102 -22.753 0.043 1.00 0.00 C ATOM 696 CD ARG A 44 6.582 -21.790 1.133 1.00 0.00 C ATOM 697 NE ARG A 44 7.999 -22.097 1.477 1.00 0.00 N ATOM 698 CZ ARG A 44 8.329 -22.359 2.712 1.00 0.00 C ATOM 699 NH1 ARG A 44 8.506 -21.385 3.561 1.00 0.00 N ATOM 700 NH2 ARG A 44 8.487 -23.597 3.096 1.00 0.00 N ATOM 0 H ARG A 44 3.743 -21.209 -2.820 1.00 0.00 H new ATOM 0 HA ARG A 44 6.309 -20.499 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.444 -21.385 -0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.335 -22.810 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.700 -23.660 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.940 -23.054 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.495 -20.760 0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.953 -21.883 2.018 1.00 0.00 H new ATOM 0 HE ARG A 44 8.711 -22.102 0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.386 -20.418 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.764 -21.590 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.352 -24.358 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.745 -23.803 4.061 1.00 0.00 H new ATOM 714 N ALA A 45 5.986 -23.030 -3.635 1.00 0.00 N ATOM 715 CA ALA A 45 6.789 -23.991 -4.444 1.00 0.00 C ATOM 716 C ALA A 45 6.787 -23.560 -5.908 1.00 0.00 C ATOM 717 O ALA A 45 7.071 -24.337 -6.799 1.00 0.00 O ATOM 718 CB ALA A 45 6.158 -25.372 -4.338 1.00 0.00 C ATOM 0 H ALA A 45 4.984 -23.036 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 45 7.813 -24.012 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.738 -26.083 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.147 -25.688 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.137 -25.335 -4.717 1.00 0.00 H new ATOM 724 N MET A 46 6.461 -22.331 -6.161 1.00 0.00 N ATOM 725 CA MET A 46 6.424 -21.835 -7.553 1.00 0.00 C ATOM 726 C MET A 46 7.828 -21.915 -8.160 1.00 0.00 C ATOM 727 O MET A 46 8.328 -22.985 -8.448 1.00 0.00 O ATOM 728 CB MET A 46 5.915 -20.391 -7.550 1.00 0.00 C ATOM 729 CG MET A 46 6.554 -19.627 -6.389 1.00 0.00 C ATOM 730 SD MET A 46 6.193 -17.857 -6.531 1.00 0.00 S ATOM 731 CE MET A 46 6.657 -17.648 -8.265 1.00 0.00 C ATOM 0 H MET A 46 6.215 -21.640 -5.452 1.00 0.00 H new ATOM 0 HA MET A 46 5.753 -22.447 -8.156 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.158 -19.907 -8.496 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.829 -20.377 -7.455 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.175 -20.008 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.632 -19.787 -6.388 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.748 -16.586 -8.492 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.612 -18.141 -8.448 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.892 -18.091 -8.902 1.00 0.00 H new ATOM 741 N LYS A 47 8.462 -20.799 -8.368 1.00 0.00 N ATOM 742 CA LYS A 47 9.814 -20.806 -8.965 1.00 0.00 C ATOM 743 C LYS A 47 10.794 -20.093 -8.031 1.00 0.00 C ATOM 744 O LYS A 47 11.393 -20.697 -7.163 1.00 0.00 O ATOM 745 CB LYS A 47 9.724 -20.057 -10.281 1.00 0.00 C ATOM 746 CG LYS A 47 9.543 -21.053 -11.427 1.00 0.00 C ATOM 747 CD LYS A 47 9.953 -20.393 -12.744 1.00 0.00 C ATOM 748 CE LYS A 47 11.189 -21.098 -13.304 1.00 0.00 C ATOM 749 NZ LYS A 47 10.792 -22.415 -13.878 1.00 0.00 N ATOM 0 H LYS A 47 8.094 -19.874 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 47 10.167 -21.826 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.887 -19.359 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.627 -19.467 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.148 -21.942 -11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.504 -21.379 -11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.134 -20.448 -13.461 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.166 -19.336 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.657 -20.481 -14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.928 -21.241 -12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.632 -22.895 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.365 -23.003 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.102 -22.267 -14.642 1.00 0.00 H new ATOM 763 N ASP A 48 10.959 -18.807 -8.200 1.00 0.00 N ATOM 764 CA ASP A 48 11.892 -18.047 -7.323 1.00 0.00 C ATOM 765 C ASP A 48 11.261 -16.700 -6.971 1.00 0.00 C ATOM 766 O ASP A 48 10.568 -16.102 -7.769 1.00 0.00 O ATOM 767 CB ASP A 48 13.215 -17.815 -8.059 1.00 0.00 C ATOM 768 CG ASP A 48 14.358 -18.453 -7.266 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.232 -18.547 -6.056 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.341 -18.833 -7.882 1.00 0.00 O ATOM 0 H ASP A 48 10.485 -18.250 -8.911 1.00 0.00 H new ATOM 0 HA ASP A 48 12.083 -18.614 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.167 -18.245 -9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.394 -16.747 -8.180 1.00 0.00 H new ATOM 775 N LYS A 49 11.488 -16.219 -5.781 1.00 0.00 N ATOM 776 CA LYS A 49 10.893 -14.913 -5.382 1.00 0.00 C ATOM 777 C LYS A 49 11.751 -13.771 -5.930 1.00 0.00 C ATOM 778 O LYS A 49 11.265 -12.687 -6.185 1.00 0.00 O ATOM 779 CB LYS A 49 10.834 -14.827 -3.856 1.00 0.00 C ATOM 780 CG LYS A 49 10.012 -15.999 -3.312 1.00 0.00 C ATOM 781 CD LYS A 49 10.586 -16.446 -1.966 1.00 0.00 C ATOM 782 CE LYS A 49 9.526 -16.275 -0.877 1.00 0.00 C ATOM 783 NZ LYS A 49 10.101 -16.664 0.442 1.00 0.00 N ATOM 0 H LYS A 49 12.059 -16.673 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 49 9.885 -14.832 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.841 -14.851 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.386 -13.881 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.970 -15.702 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.029 -16.828 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.901 -17.488 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.471 -15.858 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.185 -15.240 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.655 -16.891 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.380 -16.548 1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.406 -17.658 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.919 -16.058 0.657 1.00 0.00 H new ATOM 797 N SER A 50 13.022 -14.002 -6.115 1.00 0.00 N ATOM 798 CA SER A 50 13.903 -12.925 -6.649 1.00 0.00 C ATOM 799 C SER A 50 13.277 -12.341 -7.915 1.00 0.00 C ATOM 800 O SER A 50 13.504 -11.199 -8.262 1.00 0.00 O ATOM 801 CB SER A 50 15.277 -13.506 -6.984 1.00 0.00 C ATOM 802 OG SER A 50 16.199 -13.143 -5.966 1.00 0.00 O ATOM 0 H SER A 50 13.488 -14.888 -5.920 1.00 0.00 H new ATOM 0 HA SER A 50 14.014 -12.141 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.216 -14.591 -7.066 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.617 -13.132 -7.950 1.00 0.00 H new ATOM 0 HG SER A 50 17.081 -13.515 -6.176 1.00 0.00 H new ATOM 808 N GLU A 51 12.479 -13.114 -8.600 1.00 0.00 N ATOM 809 CA GLU A 51 11.830 -12.608 -9.833 1.00 0.00 C ATOM 810 C GLU A 51 10.919 -11.437 -9.481 1.00 0.00 C ATOM 811 O GLU A 51 11.147 -10.313 -9.883 1.00 0.00 O ATOM 812 CB GLU A 51 11.012 -13.715 -10.456 1.00 0.00 C ATOM 813 CG GLU A 51 11.775 -15.043 -10.381 1.00 0.00 C ATOM 814 CD GLU A 51 13.230 -14.828 -10.806 1.00 0.00 C ATOM 815 OE1 GLU A 51 13.455 -14.017 -11.689 1.00 0.00 O ATOM 816 OE2 GLU A 51 14.094 -15.476 -10.239 1.00 0.00 O ATOM 0 H GLU A 51 12.251 -14.077 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 51 12.591 -12.276 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.057 -13.806 -9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.790 -13.473 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.737 -15.438 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.303 -15.782 -11.028 1.00 0.00 H new ATOM 823 N TRP A 52 9.891 -11.693 -8.725 1.00 0.00 N ATOM 824 CA TRP A 52 8.964 -10.603 -8.337 1.00 0.00 C ATOM 825 C TRP A 52 9.628 -9.729 -7.293 1.00 0.00 C ATOM 826 O TRP A 52 9.838 -8.566 -7.511 1.00 0.00 O ATOM 827 CB TRP A 52 7.709 -11.202 -7.735 1.00 0.00 C ATOM 828 CG TRP A 52 7.180 -12.223 -8.651 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.319 -13.530 -8.468 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.434 -12.043 -9.874 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.700 -14.195 -9.509 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.131 -13.312 -10.407 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.995 -10.909 -10.560 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.409 -13.452 -11.592 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.268 -11.035 -11.745 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.971 -12.306 -12.264 1.00 0.00 C ATOM 0 H TRP A 52 9.654 -12.615 -8.359 1.00 0.00 H new ATOM 0 HA TRP A 52 8.713 -10.012 -9.218 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.931 -11.646 -6.765 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.964 -10.424 -7.567 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.832 -13.997 -7.641 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.667 -15.210 -9.603 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.220 -9.927 -10.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.191 -14.434 -11.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.932 -10.150 -12.266 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.406 -12.398 -13.180 1.00 0.00 H new ATOM 847 N GLU A 53 9.938 -10.287 -6.155 1.00 0.00 N ATOM 848 CA GLU A 53 10.578 -9.482 -5.068 1.00 0.00 C ATOM 849 C GLU A 53 11.485 -8.398 -5.659 1.00 0.00 C ATOM 850 O GLU A 53 11.367 -7.236 -5.325 1.00 0.00 O ATOM 851 CB GLU A 53 11.399 -10.402 -4.164 1.00 0.00 C ATOM 852 CG GLU A 53 10.487 -11.009 -3.099 1.00 0.00 C ATOM 853 CD GLU A 53 11.132 -10.848 -1.721 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.285 -10.453 -1.671 1.00 0.00 O ATOM 855 OE2 GLU A 53 10.463 -11.122 -0.740 1.00 0.00 O ATOM 0 H GLU A 53 9.776 -11.268 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 53 9.794 -8.999 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.863 -11.192 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.206 -9.841 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.514 -10.518 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.316 -12.064 -3.311 1.00 0.00 H new ATOM 862 N ALA A 54 12.377 -8.754 -6.540 1.00 0.00 N ATOM 863 CA ALA A 54 13.261 -7.717 -7.142 1.00 0.00 C ATOM 864 C ALA A 54 12.403 -6.769 -7.981 1.00 0.00 C ATOM 865 O ALA A 54 12.545 -5.564 -7.928 1.00 0.00 O ATOM 866 CB ALA A 54 14.307 -8.388 -8.033 1.00 0.00 C ATOM 0 H ALA A 54 12.532 -9.708 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 54 13.770 -7.160 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.953 -7.627 -8.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.908 -9.073 -7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.807 -8.942 -8.827 1.00 0.00 H new ATOM 872 N LYS A 55 11.515 -7.320 -8.756 1.00 0.00 N ATOM 873 CA LYS A 55 10.630 -6.484 -9.617 1.00 0.00 C ATOM 874 C LYS A 55 9.885 -5.441 -8.775 1.00 0.00 C ATOM 875 O LYS A 55 9.712 -4.312 -9.190 1.00 0.00 O ATOM 876 CB LYS A 55 9.611 -7.388 -10.308 1.00 0.00 C ATOM 877 CG LYS A 55 9.356 -6.881 -11.728 1.00 0.00 C ATOM 878 CD LYS A 55 10.129 -7.747 -12.726 1.00 0.00 C ATOM 879 CE LYS A 55 9.320 -7.882 -14.018 1.00 0.00 C ATOM 880 NZ LYS A 55 10.208 -8.361 -15.114 1.00 0.00 N ATOM 0 H LYS A 55 11.361 -8.325 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 55 11.243 -5.967 -10.355 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.980 -8.413 -10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.679 -7.401 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.290 -6.914 -11.951 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.668 -5.840 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.100 -7.299 -12.937 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.319 -8.732 -12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.496 -8.580 -13.872 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.880 -6.921 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.658 -8.453 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.980 -7.679 -15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.607 -9.286 -14.858 1.00 0.00 H new ATOM 894 N ALA A 56 9.437 -5.803 -7.605 1.00 0.00 N ATOM 895 CA ALA A 56 8.702 -4.827 -6.759 1.00 0.00 C ATOM 896 C ALA A 56 9.645 -3.683 -6.391 1.00 0.00 C ATOM 897 O ALA A 56 9.292 -2.522 -6.457 1.00 0.00 O ATOM 898 CB ALA A 56 8.217 -5.516 -5.482 1.00 0.00 C ATOM 0 H ALA A 56 9.549 -6.732 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 56 7.843 -4.440 -7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.678 -4.798 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.553 -6.340 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.073 -5.901 -4.929 1.00 0.00 H new ATOM 904 N ALA A 57 10.852 -4.009 -6.012 1.00 0.00 N ATOM 905 CA ALA A 57 11.836 -2.955 -5.645 1.00 0.00 C ATOM 906 C ALA A 57 11.761 -1.825 -6.666 1.00 0.00 C ATOM 907 O ALA A 57 11.752 -0.660 -6.324 1.00 0.00 O ATOM 908 CB ALA A 57 13.242 -3.554 -5.662 1.00 0.00 C ATOM 0 H ALA A 57 11.198 -4.966 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 57 11.611 -2.570 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.968 -2.786 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.298 -4.372 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.465 -3.931 -6.660 1.00 0.00 H new ATOM 914 N LYS A 58 11.710 -2.165 -7.923 1.00 0.00 N ATOM 915 CA LYS A 58 11.636 -1.118 -8.979 1.00 0.00 C ATOM 916 C LYS A 58 10.537 -0.113 -8.628 1.00 0.00 C ATOM 917 O LYS A 58 10.806 1.046 -8.386 1.00 0.00 O ATOM 918 CB LYS A 58 11.322 -1.770 -10.328 1.00 0.00 C ATOM 919 CG LYS A 58 11.405 -0.719 -11.437 1.00 0.00 C ATOM 920 CD LYS A 58 10.183 -0.842 -12.349 1.00 0.00 C ATOM 921 CE LYS A 58 9.899 0.508 -13.009 1.00 0.00 C ATOM 922 NZ LYS A 58 10.430 0.499 -14.402 1.00 0.00 N ATOM 0 H LYS A 58 11.716 -3.126 -8.266 1.00 0.00 H new ATOM 0 HA LYS A 58 12.593 -0.601 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.026 -2.578 -10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.326 -2.213 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.449 0.280 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.319 -0.856 -12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.360 -1.601 -13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.317 -1.166 -11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.827 0.702 -13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.364 1.310 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.238 1.416 -14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.456 0.332 -14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.967 -0.257 -14.945 1.00 0.00 H new ATOM 936 N ALA A 59 9.302 -0.539 -8.593 1.00 0.00 N ATOM 937 CA ALA A 59 8.210 0.416 -8.251 1.00 0.00 C ATOM 938 C ALA A 59 8.598 1.169 -6.981 1.00 0.00 C ATOM 939 O ALA A 59 8.208 2.298 -6.772 1.00 0.00 O ATOM 940 CB ALA A 59 6.903 -0.345 -8.011 1.00 0.00 C ATOM 0 H ALA A 59 9.005 -1.496 -8.784 1.00 0.00 H new ATOM 0 HA ALA A 59 8.065 1.115 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.111 0.361 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.630 -0.893 -8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.036 -1.046 -7.187 1.00 0.00 H new ATOM 946 N LYS A 60 9.373 0.551 -6.138 1.00 0.00 N ATOM 947 CA LYS A 60 9.802 1.214 -4.887 1.00 0.00 C ATOM 948 C LYS A 60 10.578 2.479 -5.226 1.00 0.00 C ATOM 949 O LYS A 60 10.215 3.568 -4.840 1.00 0.00 O ATOM 950 CB LYS A 60 10.716 0.259 -4.132 1.00 0.00 C ATOM 951 CG LYS A 60 10.351 0.250 -2.647 1.00 0.00 C ATOM 952 CD LYS A 60 11.124 -0.864 -1.939 1.00 0.00 C ATOM 953 CE LYS A 60 12.033 -0.254 -0.870 1.00 0.00 C ATOM 954 NZ LYS A 60 12.835 -1.332 -0.223 1.00 0.00 N ATOM 0 H LYS A 60 9.730 -0.396 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 60 8.934 1.473 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.625 -0.746 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.756 0.562 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.588 1.214 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.279 0.097 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.430 -1.569 -1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.719 -1.424 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.695 0.486 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.434 0.267 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.453 -0.917 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.195 -2.022 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.417 -1.810 -0.940 1.00 0.00 H new ATOM 968 N ASP A 61 11.653 2.330 -5.939 1.00 0.00 N ATOM 969 CA ASP A 61 12.479 3.516 -6.304 1.00 0.00 C ATOM 970 C ASP A 61 11.632 4.533 -7.077 1.00 0.00 C ATOM 971 O ASP A 61 11.663 5.715 -6.799 1.00 0.00 O ATOM 972 CB ASP A 61 13.654 3.066 -7.175 1.00 0.00 C ATOM 973 CG ASP A 61 14.962 3.244 -6.400 1.00 0.00 C ATOM 974 OD1 ASP A 61 15.220 4.353 -5.961 1.00 0.00 O ATOM 975 OD2 ASP A 61 15.682 2.270 -6.260 1.00 0.00 O ATOM 0 H ASP A 61 12.000 1.436 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 61 12.852 3.984 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.528 2.022 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.682 3.649 -8.096 1.00 0.00 H new ATOM 980 N ASP A 62 10.884 4.089 -8.049 1.00 0.00 N ATOM 981 CA ASP A 62 10.049 5.040 -8.837 1.00 0.00 C ATOM 982 C ASP A 62 8.867 5.517 -7.991 1.00 0.00 C ATOM 983 O ASP A 62 8.162 6.435 -8.357 1.00 0.00 O ATOM 984 CB ASP A 62 9.520 4.333 -10.085 1.00 0.00 C ATOM 985 CG ASP A 62 10.687 3.956 -10.998 1.00 0.00 C ATOM 986 OD1 ASP A 62 11.803 3.898 -10.507 1.00 0.00 O ATOM 987 OD2 ASP A 62 10.447 3.730 -12.173 1.00 0.00 O ATOM 0 H ASP A 62 10.814 3.111 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 62 10.657 5.898 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.965 3.439 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.826 4.984 -10.616 1.00 0.00 H new ATOM 992 N TYR A 63 8.635 4.893 -6.873 1.00 0.00 N ATOM 993 CA TYR A 63 7.489 5.298 -6.016 1.00 0.00 C ATOM 994 C TYR A 63 7.924 6.358 -4.999 1.00 0.00 C ATOM 995 O TYR A 63 7.171 7.253 -4.670 1.00 0.00 O ATOM 996 CB TYR A 63 6.962 4.062 -5.301 1.00 0.00 C ATOM 997 CG TYR A 63 5.839 4.446 -4.403 1.00 0.00 C ATOM 998 CD1 TYR A 63 6.066 5.208 -3.256 1.00 0.00 C ATOM 999 CD2 TYR A 63 4.569 4.018 -4.722 1.00 0.00 C ATOM 1000 CE1 TYR A 63 4.992 5.536 -2.423 1.00 0.00 C ATOM 1001 CE2 TYR A 63 3.499 4.335 -3.903 1.00 0.00 C ATOM 1002 CZ TYR A 63 3.701 5.095 -2.745 1.00 0.00 C ATOM 1003 OH TYR A 63 2.635 5.415 -1.930 1.00 0.00 O ATOM 0 H TYR A 63 9.191 4.117 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 63 6.704 5.733 -6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.623 3.325 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.760 3.596 -4.723 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.064 5.542 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.407 3.433 -5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.157 6.127 -1.534 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.506 3.995 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 63 1.813 5.031 -2.301 1.00 0.00 H new ATOM 1013 N ASP A 64 9.126 6.276 -4.503 1.00 0.00 N ATOM 1014 CA ASP A 64 9.592 7.288 -3.521 1.00 0.00 C ATOM 1015 C ASP A 64 9.962 8.555 -4.272 1.00 0.00 C ATOM 1016 O ASP A 64 9.689 9.660 -3.846 1.00 0.00 O ATOM 1017 CB ASP A 64 10.813 6.757 -2.803 1.00 0.00 C ATOM 1018 CG ASP A 64 11.094 7.605 -1.561 1.00 0.00 C ATOM 1019 OD1 ASP A 64 10.677 8.752 -1.542 1.00 0.00 O ATOM 1020 OD2 ASP A 64 11.722 7.092 -0.649 1.00 0.00 O ATOM 0 H ASP A 64 9.805 5.551 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 64 8.807 7.499 -2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.654 5.717 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.675 6.776 -3.470 1.00 0.00 H new ATOM 1025 N ARG A 65 10.594 8.385 -5.393 1.00 0.00 N ATOM 1026 CA ARG A 65 11.010 9.554 -6.207 1.00 0.00 C ATOM 1027 C ARG A 65 9.801 10.140 -6.940 1.00 0.00 C ATOM 1028 O ARG A 65 9.690 11.337 -7.115 1.00 0.00 O ATOM 1029 CB ARG A 65 12.052 9.107 -7.231 1.00 0.00 C ATOM 1030 CG ARG A 65 12.681 10.335 -7.892 1.00 0.00 C ATOM 1031 CD ARG A 65 13.299 9.931 -9.230 1.00 0.00 C ATOM 1032 NE ARG A 65 14.463 10.812 -9.524 1.00 0.00 N ATOM 1033 CZ ARG A 65 14.357 12.104 -9.371 1.00 0.00 C ATOM 1034 NH1 ARG A 65 13.343 12.740 -9.888 1.00 0.00 N ATOM 1035 NH2 ARG A 65 15.266 12.758 -8.701 1.00 0.00 N ATOM 0 H ARG A 65 10.843 7.477 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 65 11.434 10.315 -5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.822 8.509 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.586 8.473 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.926 11.106 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.444 10.762 -7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.617 8.889 -9.196 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.558 10.012 -10.025 1.00 0.00 H new ATOM 0 HE ARG A 65 15.342 10.406 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.633 12.228 -10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.260 13.750 -9.769 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.059 12.260 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.184 13.768 -8.581 1.00 0.00 H new ATOM 1049 N ALA A 66 8.902 9.309 -7.385 1.00 0.00 N ATOM 1050 CA ALA A 66 7.711 9.825 -8.123 1.00 0.00 C ATOM 1051 C ALA A 66 6.714 10.452 -7.152 1.00 0.00 C ATOM 1052 O ALA A 66 5.953 11.314 -7.527 1.00 0.00 O ATOM 1053 CB ALA A 66 7.036 8.676 -8.873 1.00 0.00 C ATOM 0 H ALA A 66 8.938 8.296 -7.271 1.00 0.00 H new ATOM 0 HA ALA A 66 8.040 10.585 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.167 9.054 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.741 8.240 -9.582 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.719 7.914 -8.161 1.00 0.00 H new ATOM 1059 N VAL A 67 6.700 10.045 -5.911 1.00 0.00 N ATOM 1060 CA VAL A 67 5.739 10.663 -4.961 1.00 0.00 C ATOM 1061 C VAL A 67 6.178 12.096 -4.689 1.00 0.00 C ATOM 1062 O VAL A 67 5.371 12.967 -4.469 1.00 0.00 O ATOM 1063 CB VAL A 67 5.715 9.910 -3.655 1.00 0.00 C ATOM 1064 CG1 VAL A 67 5.092 8.531 -3.852 1.00 0.00 C ATOM 1065 CG2 VAL A 67 7.129 9.783 -3.163 1.00 0.00 C ATOM 0 H VAL A 67 7.304 9.322 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 67 4.742 10.635 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 67 5.113 10.447 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.081 7.998 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.071 8.642 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.678 7.967 -4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.138 9.241 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.723 9.240 -3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.554 10.776 -3.016 1.00 0.00 H new ATOM 1075 N LYS A 68 7.462 12.328 -4.698 1.00 0.00 N ATOM 1076 CA LYS A 68 7.995 13.703 -4.449 1.00 0.00 C ATOM 1077 C LYS A 68 7.550 14.619 -5.590 1.00 0.00 C ATOM 1078 O LYS A 68 6.887 15.614 -5.381 1.00 0.00 O ATOM 1079 CB LYS A 68 9.524 13.655 -4.398 1.00 0.00 C ATOM 1080 CG LYS A 68 9.972 12.879 -3.157 1.00 0.00 C ATOM 1081 CD LYS A 68 11.299 12.174 -3.448 1.00 0.00 C ATOM 1082 CE LYS A 68 12.456 13.152 -3.239 1.00 0.00 C ATOM 1083 NZ LYS A 68 13.678 12.398 -2.837 1.00 0.00 N ATOM 0 H LYS A 68 8.174 11.618 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 68 7.616 14.083 -3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.913 13.178 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.929 14.667 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.086 13.558 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.213 12.148 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.416 11.311 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.307 11.799 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.645 13.710 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.196 13.881 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.465 13.063 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.494 11.885 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.929 11.719 -3.584 1.00 0.00 H new ATOM 1097 N GLU A 69 7.888 14.271 -6.804 1.00 0.00 N ATOM 1098 CA GLU A 69 7.457 15.091 -7.969 1.00 0.00 C ATOM 1099 C GLU A 69 5.931 15.120 -7.964 1.00 0.00 C ATOM 1100 O GLU A 69 5.287 16.078 -8.344 1.00 0.00 O ATOM 1101 CB GLU A 69 7.948 14.397 -9.239 1.00 0.00 C ATOM 1102 CG GLU A 69 9.320 14.948 -9.628 1.00 0.00 C ATOM 1103 CD GLU A 69 9.478 14.904 -11.149 1.00 0.00 C ATOM 1104 OE1 GLU A 69 9.222 13.857 -11.722 1.00 0.00 O ATOM 1105 OE2 GLU A 69 9.853 15.917 -11.716 1.00 0.00 O ATOM 0 H GLU A 69 8.447 13.450 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 69 7.857 16.104 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.010 13.321 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.238 14.556 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.426 15.972 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.107 14.361 -9.153 1.00 0.00 H new ATOM 1112 N PHE A 70 5.384 14.041 -7.507 1.00 0.00 N ATOM 1113 CA PHE A 70 3.914 13.856 -7.400 1.00 0.00 C ATOM 1114 C PHE A 70 3.343 14.738 -6.294 1.00 0.00 C ATOM 1115 O PHE A 70 2.195 15.134 -6.323 1.00 0.00 O ATOM 1116 CB PHE A 70 3.714 12.418 -7.001 1.00 0.00 C ATOM 1117 CG PHE A 70 2.381 12.256 -6.383 1.00 0.00 C ATOM 1118 CD1 PHE A 70 1.273 12.157 -7.197 1.00 0.00 C ATOM 1119 CD2 PHE A 70 2.269 12.224 -5.002 1.00 0.00 C ATOM 1120 CE1 PHE A 70 0.009 12.015 -6.635 1.00 0.00 C ATOM 1121 CE2 PHE A 70 1.005 12.084 -4.418 1.00 0.00 C ATOM 1122 CZ PHE A 70 -0.132 11.977 -5.238 1.00 0.00 C ATOM 0 H PHE A 70 5.922 13.236 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 70 3.421 14.114 -8.337 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.802 11.772 -7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.491 12.113 -6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.386 12.190 -8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.149 12.306 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.861 11.934 -7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.903 12.058 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.111 11.866 -4.795 1.00 0.00 H new ATOM 1132 N GLU A 71 4.133 15.014 -5.308 1.00 0.00 N ATOM 1133 CA GLU A 71 3.642 15.835 -4.176 1.00 0.00 C ATOM 1134 C GLU A 71 3.815 17.295 -4.555 1.00 0.00 C ATOM 1135 O GLU A 71 3.162 18.183 -4.043 1.00 0.00 O ATOM 1136 CB GLU A 71 4.471 15.528 -2.925 1.00 0.00 C ATOM 1137 CG GLU A 71 4.204 14.090 -2.473 1.00 0.00 C ATOM 1138 CD GLU A 71 3.613 14.099 -1.063 1.00 0.00 C ATOM 1139 OE1 GLU A 71 2.417 14.316 -0.944 1.00 0.00 O ATOM 1140 OE2 GLU A 71 4.365 13.890 -0.126 1.00 0.00 O ATOM 0 H GLU A 71 5.103 14.706 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 71 2.595 15.615 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.532 15.662 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.215 16.224 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.516 13.602 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.130 13.515 -2.487 1.00 0.00 H new ATOM 1147 N ALA A 72 4.710 17.524 -5.463 1.00 0.00 N ATOM 1148 CA ALA A 72 4.999 18.888 -5.942 1.00 0.00 C ATOM 1149 C ALA A 72 3.787 19.442 -6.695 1.00 0.00 C ATOM 1150 O ALA A 72 3.693 20.625 -6.957 1.00 0.00 O ATOM 1151 CB ALA A 72 6.193 18.771 -6.878 1.00 0.00 C ATOM 0 H ALA A 72 5.270 16.795 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 72 5.214 19.565 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.451 19.757 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.043 18.360 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.941 18.111 -7.708 1.00 0.00 H new ATOM 1157 N ASN A 73 2.859 18.594 -7.044 1.00 0.00 N ATOM 1158 CA ASN A 73 1.653 19.068 -7.778 1.00 0.00 C ATOM 1159 C ASN A 73 0.396 18.500 -7.114 1.00 0.00 C ATOM 1160 O ASN A 73 -0.437 17.893 -7.756 1.00 0.00 O ATOM 1161 CB ASN A 73 1.725 18.593 -9.231 1.00 0.00 C ATOM 1162 CG ASN A 73 2.323 19.692 -10.097 1.00 0.00 C ATOM 1163 OD1 ASN A 73 1.792 20.782 -10.179 1.00 0.00 O ATOM 1164 ND2 ASN A 73 3.419 19.448 -10.753 1.00 0.00 N ATOM 0 H ASN A 73 2.884 17.593 -6.852 1.00 0.00 H new ATOM 0 HA ASN A 73 1.614 20.157 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.332 17.691 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.729 18.335 -9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.835 20.172 -11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.863 18.532 -10.682 1.00 0.00 H new ATOM 1171 N GLY A 74 0.254 18.695 -5.832 1.00 0.00 N ATOM 1172 CA GLY A 74 -0.948 18.169 -5.126 1.00 0.00 C ATOM 1173 C GLY A 74 -0.604 16.845 -4.441 1.00 0.00 C ATOM 1174 O GLY A 74 -1.134 16.598 -3.371 1.00 0.00 O ATOM 1175 OXT GLY A 74 0.185 16.100 -5.001 1.00 0.00 O ATOM 0 H GLY A 74 0.919 19.196 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.294 18.893 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.763 18.022 -5.835 1.00 0.00 H new TER 1179 GLY A 74