USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 729 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 1 MET N :NH3+ -173:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 60:sc= 0.71 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.608 K(o=-0.61,f=-4.2!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0112 (180deg=-0.33) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 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 53 ASN : amide:sc= -0.0563 K(o=-0.056,f=-0.69) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00874 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-0.13) USER MOD Single : A 62 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.42) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.26 X(o=-2.3,f=-1.8) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 79 MET CE :methyl 157:sc= -0.559 (180deg=-1.66!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -13:sc= 1.26 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.025 -17.844 2.658 1.00 0.00 N ATOM 2 CA MET A 1 0.010 -19.137 1.996 1.00 0.00 C ATOM 3 C MET A 1 -1.384 -19.543 1.512 1.00 0.00 C ATOM 4 O MET A 1 -1.577 -19.827 0.331 1.00 0.00 O ATOM 5 CB MET A 1 0.541 -20.193 2.966 1.00 0.00 C ATOM 6 CG MET A 1 1.910 -20.710 2.518 1.00 0.00 C ATOM 7 SD MET A 1 2.217 -22.319 3.229 1.00 0.00 S ATOM 8 CE MET A 1 3.473 -22.917 2.110 1.00 0.00 C ATOM 0 H1 MET A 1 0.945 -17.537 2.871 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.480 -17.147 2.034 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.566 -17.922 3.543 1.00 0.00 H new ATOM 0 HA MET A 1 0.668 -19.063 1.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.619 -19.767 3.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.163 -21.023 3.027 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.947 -20.771 1.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.690 -20.013 2.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.781 -23.918 2.411 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.072 -22.949 1.097 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.334 -22.249 2.138 1.00 0.00 H new ATOM 18 N SER A 2 -2.320 -19.556 2.450 1.00 0.00 N ATOM 19 CA SER A 2 -3.690 -19.923 2.134 1.00 0.00 C ATOM 20 C SER A 2 -4.661 -19.085 2.968 1.00 0.00 C ATOM 21 O SER A 2 -5.156 -19.543 3.997 1.00 0.00 O ATOM 22 CB SER A 2 -3.932 -21.414 2.377 1.00 0.00 C ATOM 23 OG SER A 2 -4.951 -21.935 1.528 1.00 0.00 O ATOM 0 H SER A 2 -2.157 -19.318 3.428 1.00 0.00 H new ATOM 0 HA SER A 2 -3.862 -19.723 1.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.005 -21.963 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.213 -21.571 3.419 1.00 0.00 H new ATOM 0 HG SER A 2 -5.074 -22.890 1.713 1.00 0.00 H new ATOM 29 N THR A 3 -4.905 -17.872 2.494 1.00 0.00 N ATOM 30 CA THR A 3 -5.808 -16.966 3.183 1.00 0.00 C ATOM 31 C THR A 3 -6.544 -16.079 2.177 1.00 0.00 C ATOM 32 O THR A 3 -6.155 -14.933 1.954 1.00 0.00 O ATOM 33 CB THR A 3 -4.993 -16.176 4.209 1.00 0.00 C ATOM 34 OG1 THR A 3 -3.982 -15.539 3.432 1.00 0.00 O ATOM 35 CG2 THR A 3 -4.214 -17.084 5.163 1.00 0.00 C ATOM 0 H THR A 3 -4.493 -17.495 1.640 1.00 0.00 H new ATOM 0 HA THR A 3 -6.586 -17.512 3.716 1.00 0.00 H new ATOM 0 HB THR A 3 -5.659 -15.532 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.401 -14.956 2.765 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.653 -16.473 5.870 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.910 -17.722 5.707 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.523 -17.704 4.592 1.00 0.00 H new ATOM 43 N ASP A 4 -7.593 -16.642 1.596 1.00 0.00 N ATOM 44 CA ASP A 4 -8.386 -15.916 0.619 1.00 0.00 C ATOM 45 C ASP A 4 -9.592 -16.766 0.215 1.00 0.00 C ATOM 46 O ASP A 4 -9.627 -17.966 0.481 1.00 0.00 O ATOM 47 CB ASP A 4 -7.572 -15.620 -0.642 1.00 0.00 C ATOM 48 CG ASP A 4 -6.544 -16.691 -1.013 1.00 0.00 C ATOM 49 OD1 ASP A 4 -6.631 -17.843 -0.563 1.00 0.00 O ATOM 50 OD2 ASP A 4 -5.611 -16.297 -1.812 1.00 0.00 O ATOM 0 H ASP A 4 -7.912 -17.593 1.783 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.702 -14.976 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.259 -15.492 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.053 -14.671 -0.507 1.00 0.00 H new ATOM 55 N THR A 5 -10.552 -16.110 -0.422 1.00 0.00 N ATOM 56 CA THR A 5 -11.756 -16.791 -0.866 1.00 0.00 C ATOM 57 C THR A 5 -12.138 -16.336 -2.276 1.00 0.00 C ATOM 58 O THR A 5 -12.160 -17.139 -3.207 1.00 0.00 O ATOM 59 CB THR A 5 -12.852 -16.538 0.172 1.00 0.00 C ATOM 60 OG1 THR A 5 -12.464 -17.334 1.288 1.00 0.00 O ATOM 61 CG2 THR A 5 -14.203 -17.120 -0.249 1.00 0.00 C ATOM 0 H THR A 5 -10.520 -15.114 -0.641 1.00 0.00 H new ATOM 0 HA THR A 5 -11.598 -17.867 -0.938 1.00 0.00 H new ATOM 0 HB THR A 5 -12.954 -15.465 0.337 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.119 -17.228 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.945 -16.913 0.522 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.519 -16.665 -1.188 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.109 -18.198 -0.382 1.00 0.00 H new ATOM 69 N GLY A 6 -12.428 -15.048 -2.389 1.00 0.00 N ATOM 70 CA GLY A 6 -12.807 -14.476 -3.669 1.00 0.00 C ATOM 71 C GLY A 6 -13.993 -13.522 -3.514 1.00 0.00 C ATOM 72 O GLY A 6 -14.955 -13.591 -4.278 1.00 0.00 O ATOM 0 H GLY A 6 -12.408 -14.385 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.959 -13.941 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.066 -15.274 -4.365 1.00 0.00 H new ATOM 76 N VAL A 7 -13.886 -12.652 -2.520 1.00 0.00 N ATOM 77 CA VAL A 7 -14.937 -11.685 -2.255 1.00 0.00 C ATOM 78 C VAL A 7 -14.316 -10.297 -2.084 1.00 0.00 C ATOM 79 O VAL A 7 -14.481 -9.663 -1.043 1.00 0.00 O ATOM 80 CB VAL A 7 -15.759 -12.125 -1.042 1.00 0.00 C ATOM 81 CG1 VAL A 7 -16.840 -11.094 -0.708 1.00 0.00 C ATOM 82 CG2 VAL A 7 -16.372 -13.509 -1.268 1.00 0.00 C ATOM 0 H VAL A 7 -13.087 -12.597 -1.888 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.627 -11.631 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.085 -12.192 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.410 -11.431 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.372 -10.136 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.510 -10.980 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.951 -13.798 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -17.025 -13.480 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.577 -14.236 -1.434 1.00 0.00 H new ATOM 92 N SER A 8 -13.615 -9.866 -3.123 1.00 0.00 N ATOM 93 CA SER A 8 -12.969 -8.564 -3.101 1.00 0.00 C ATOM 94 C SER A 8 -13.813 -7.548 -3.873 1.00 0.00 C ATOM 95 O SER A 8 -14.182 -6.506 -3.335 1.00 0.00 O ATOM 96 CB SER A 8 -11.559 -8.640 -3.689 1.00 0.00 C ATOM 97 OG SER A 8 -11.314 -9.888 -4.331 1.00 0.00 O ATOM 0 H SER A 8 -13.480 -10.395 -3.985 1.00 0.00 H new ATOM 0 HA SER A 8 -12.884 -8.241 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.421 -7.831 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.827 -8.491 -2.895 1.00 0.00 H new ATOM 0 HG SER A 8 -10.404 -9.896 -4.695 1.00 0.00 H new ATOM 103 N LEU A 9 -14.093 -7.888 -5.123 1.00 0.00 N ATOM 104 CA LEU A 9 -14.886 -7.018 -5.975 1.00 0.00 C ATOM 105 C LEU A 9 -14.140 -5.698 -6.184 1.00 0.00 C ATOM 106 O LEU A 9 -14.599 -4.645 -5.744 1.00 0.00 O ATOM 107 CB LEU A 9 -16.293 -6.845 -5.401 1.00 0.00 C ATOM 108 CG LEU A 9 -17.311 -7.920 -5.786 1.00 0.00 C ATOM 109 CD1 LEU A 9 -17.878 -8.608 -4.542 1.00 0.00 C ATOM 110 CD2 LEU A 9 -18.414 -7.340 -6.673 1.00 0.00 C ATOM 0 H LEU A 9 -13.785 -8.754 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.021 -7.467 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.219 -6.815 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.678 -5.877 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.797 -8.683 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.599 -9.368 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.067 -9.078 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.372 -7.869 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -19.124 -8.126 -6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.932 -6.545 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.973 -6.935 -7.584 1.00 0.00 H new ATOM 122 N PRO A 10 -12.972 -5.801 -6.873 1.00 0.00 N ATOM 123 CA PRO A 10 -12.158 -4.628 -7.145 1.00 0.00 C ATOM 124 C PRO A 10 -12.778 -3.777 -8.255 1.00 0.00 C ATOM 125 O PRO A 10 -12.503 -3.992 -9.435 1.00 0.00 O ATOM 126 CB PRO A 10 -10.789 -5.176 -7.512 1.00 0.00 C ATOM 127 CG PRO A 10 -11.008 -6.634 -7.882 1.00 0.00 C ATOM 128 CD PRO A 10 -12.397 -7.031 -7.408 1.00 0.00 C ATOM 0 HA PRO A 10 -12.087 -3.957 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.358 -4.622 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.095 -5.085 -6.676 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.918 -6.772 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.251 -7.264 -7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.998 -7.425 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.348 -7.809 -6.646 1.00 0.00 H new ATOM 136 N SER A 11 -13.604 -2.828 -7.838 1.00 0.00 N ATOM 137 CA SER A 11 -14.265 -1.943 -8.782 1.00 0.00 C ATOM 138 C SER A 11 -15.114 -2.760 -9.759 1.00 0.00 C ATOM 139 O SER A 11 -14.866 -3.948 -9.958 1.00 0.00 O ATOM 140 CB SER A 11 -13.247 -1.094 -9.547 1.00 0.00 C ATOM 141 OG SER A 11 -12.384 -0.377 -8.669 1.00 0.00 O ATOM 0 H SER A 11 -13.830 -2.653 -6.859 1.00 0.00 H new ATOM 0 HA SER A 11 -14.913 -1.269 -8.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.652 -1.738 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.773 -0.391 -10.193 1.00 0.00 H new ATOM 0 HG SER A 11 -11.748 0.151 -9.195 1.00 0.00 H new ATOM 147 N TYR A 12 -16.098 -2.090 -10.341 1.00 0.00 N ATOM 148 CA TYR A 12 -16.985 -2.739 -11.291 1.00 0.00 C ATOM 149 C TYR A 12 -16.200 -3.300 -12.479 1.00 0.00 C ATOM 150 O TYR A 12 -16.399 -4.449 -12.872 1.00 0.00 O ATOM 151 CB TYR A 12 -17.935 -1.650 -11.792 1.00 0.00 C ATOM 152 CG TYR A 12 -19.228 -1.531 -10.982 1.00 0.00 C ATOM 153 CD1 TYR A 12 -19.196 -1.008 -9.705 1.00 0.00 C ATOM 154 CD2 TYR A 12 -20.425 -1.947 -11.528 1.00 0.00 C ATOM 155 CE1 TYR A 12 -20.413 -0.896 -8.943 1.00 0.00 C ATOM 156 CE2 TYR A 12 -21.642 -1.835 -10.766 1.00 0.00 C ATOM 157 CZ TYR A 12 -21.575 -1.315 -9.511 1.00 0.00 C ATOM 158 OH TYR A 12 -22.724 -1.210 -8.790 1.00 0.00 O ATOM 0 H TYR A 12 -16.300 -1.105 -10.173 1.00 0.00 H new ATOM 0 HA TYR A 12 -17.511 -3.569 -10.820 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -17.416 -0.692 -11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -18.188 -1.853 -12.833 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -18.259 -0.683 -9.278 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -20.449 -2.357 -12.527 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -20.403 -0.488 -7.943 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -22.586 -2.156 -11.181 1.00 0.00 H new ATOM 0 HH TYR A 12 -23.476 -1.546 -9.321 1.00 0.00 H new ATOM 168 N GLU A 13 -15.325 -2.464 -13.017 1.00 0.00 N ATOM 169 CA GLU A 13 -14.510 -2.862 -14.152 1.00 0.00 C ATOM 170 C GLU A 13 -13.056 -3.057 -13.718 1.00 0.00 C ATOM 171 O GLU A 13 -12.559 -2.334 -12.856 1.00 0.00 O ATOM 172 CB GLU A 13 -14.611 -1.840 -15.286 1.00 0.00 C ATOM 173 CG GLU A 13 -13.982 -0.506 -14.880 1.00 0.00 C ATOM 174 CD GLU A 13 -14.164 0.544 -15.978 1.00 0.00 C ATOM 175 OE1 GLU A 13 -13.953 0.245 -17.162 1.00 0.00 O ATOM 176 OE2 GLU A 13 -14.541 1.706 -15.564 1.00 0.00 O ATOM 0 H GLU A 13 -15.162 -1.512 -12.688 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.887 -3.812 -14.530 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.111 -2.226 -16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.657 -1.687 -15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.437 -0.152 -13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.920 -0.647 -14.679 1.00 0.00 H new ATOM 183 N GLU A 14 -12.414 -4.038 -14.336 1.00 0.00 N ATOM 184 CA GLU A 14 -11.027 -4.338 -14.024 1.00 0.00 C ATOM 185 C GLU A 14 -10.484 -5.398 -14.984 1.00 0.00 C ATOM 186 O GLU A 14 -11.239 -5.987 -15.756 1.00 0.00 O ATOM 187 CB GLU A 14 -10.876 -4.787 -12.569 1.00 0.00 C ATOM 188 CG GLU A 14 -9.651 -4.139 -11.920 1.00 0.00 C ATOM 189 CD GLU A 14 -8.744 -5.196 -11.286 1.00 0.00 C ATOM 190 OE1 GLU A 14 -9.182 -5.933 -10.391 1.00 0.00 O ATOM 191 OE2 GLU A 14 -7.543 -5.236 -11.757 1.00 0.00 O ATOM 0 H GLU A 14 -12.829 -4.635 -15.051 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.442 -3.427 -14.151 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.772 -4.522 -12.008 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.783 -5.872 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.093 -3.577 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.972 -3.426 -11.160 1.00 0.00 H new ATOM 198 N ASP A 15 -9.178 -5.609 -14.906 1.00 0.00 N ATOM 199 CA ASP A 15 -8.525 -6.588 -15.758 1.00 0.00 C ATOM 200 C ASP A 15 -8.371 -7.903 -14.992 1.00 0.00 C ATOM 201 O ASP A 15 -7.366 -8.118 -14.316 1.00 0.00 O ATOM 202 CB ASP A 15 -7.130 -6.116 -16.171 1.00 0.00 C ATOM 203 CG ASP A 15 -6.268 -5.570 -15.031 1.00 0.00 C ATOM 204 OD1 ASP A 15 -5.726 -6.333 -14.218 1.00 0.00 O ATOM 205 OD2 ASP A 15 -6.162 -4.285 -14.996 1.00 0.00 O ATOM 0 H ASP A 15 -8.554 -5.118 -14.265 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.139 -6.722 -16.649 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.604 -6.949 -16.637 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.235 -5.341 -16.930 1.00 0.00 H new ATOM 210 N GLN A 16 -9.383 -8.749 -15.122 1.00 0.00 N ATOM 211 CA GLN A 16 -9.372 -10.037 -14.450 1.00 0.00 C ATOM 212 C GLN A 16 -8.844 -9.887 -13.022 1.00 0.00 C ATOM 213 O GLN A 16 -7.645 -10.019 -12.782 1.00 0.00 O ATOM 214 CB GLN A 16 -8.547 -11.058 -15.235 1.00 0.00 C ATOM 215 CG GLN A 16 -9.313 -11.555 -16.463 1.00 0.00 C ATOM 216 CD GLN A 16 -8.356 -12.131 -17.509 1.00 0.00 C ATOM 217 OE1 GLN A 16 -7.149 -12.158 -17.336 1.00 0.00 O ATOM 218 NE2 GLN A 16 -8.962 -12.589 -18.601 1.00 0.00 N ATOM 0 H GLN A 16 -10.216 -8.567 -15.683 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.396 -10.407 -14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.605 -10.607 -15.548 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.298 -11.902 -14.591 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.032 -12.317 -16.164 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.882 -10.734 -16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.977 -12.536 -18.681 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.411 -12.994 -19.358 1.00 0.00 H new ATOM 227 N GLY A 17 -9.766 -9.612 -12.110 1.00 0.00 N ATOM 228 CA GLY A 17 -9.408 -9.442 -10.712 1.00 0.00 C ATOM 229 C GLY A 17 -8.324 -10.439 -10.298 1.00 0.00 C ATOM 230 O GLY A 17 -7.257 -10.044 -9.832 1.00 0.00 O ATOM 0 H GLY A 17 -10.760 -9.503 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.054 -8.425 -10.545 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.291 -9.579 -10.088 1.00 0.00 H new ATOM 234 N SER A 18 -8.636 -11.714 -10.484 1.00 0.00 N ATOM 235 CA SER A 18 -7.702 -12.771 -10.136 1.00 0.00 C ATOM 236 C SER A 18 -6.297 -12.409 -10.621 1.00 0.00 C ATOM 237 O SER A 18 -5.335 -12.480 -9.858 1.00 0.00 O ATOM 238 CB SER A 18 -8.141 -14.111 -10.730 1.00 0.00 C ATOM 239 OG SER A 18 -9.032 -14.812 -9.867 1.00 0.00 O ATOM 0 H SER A 18 -9.522 -12.038 -10.871 1.00 0.00 H new ATOM 0 HA SER A 18 -7.689 -12.873 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.627 -13.940 -11.691 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.263 -14.727 -10.922 1.00 0.00 H new ATOM 0 HG SER A 18 -9.290 -15.661 -10.283 1.00 0.00 H new ATOM 245 N LYS A 19 -6.223 -12.029 -11.888 1.00 0.00 N ATOM 246 CA LYS A 19 -4.952 -11.656 -12.485 1.00 0.00 C ATOM 247 C LYS A 19 -4.318 -10.532 -11.663 1.00 0.00 C ATOM 248 O LYS A 19 -3.119 -10.557 -11.392 1.00 0.00 O ATOM 249 CB LYS A 19 -5.135 -11.309 -13.964 1.00 0.00 C ATOM 250 CG LYS A 19 -4.999 -12.556 -14.840 1.00 0.00 C ATOM 251 CD LYS A 19 -3.537 -12.992 -14.950 1.00 0.00 C ATOM 252 CE LYS A 19 -3.431 -14.435 -15.448 1.00 0.00 C ATOM 253 NZ LYS A 19 -2.356 -15.154 -14.728 1.00 0.00 N ATOM 0 H LYS A 19 -7.023 -11.971 -12.518 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.259 -12.497 -12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.115 -10.858 -14.117 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.393 -10.568 -14.262 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.593 -13.367 -14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.397 -12.352 -15.834 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.006 -12.328 -15.632 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.053 -12.903 -13.977 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.382 -14.948 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.228 -14.442 -16.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.487 -16.179 -14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.432 -14.878 -15.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.392 -14.911 -13.718 1.00 0.00 H new ATOM 267 N LEU A 20 -5.153 -9.572 -11.290 1.00 0.00 N ATOM 268 CA LEU A 20 -4.689 -8.441 -10.505 1.00 0.00 C ATOM 269 C LEU A 20 -4.133 -8.945 -9.172 1.00 0.00 C ATOM 270 O LEU A 20 -3.247 -8.322 -8.589 1.00 0.00 O ATOM 271 CB LEU A 20 -5.801 -7.402 -10.355 1.00 0.00 C ATOM 272 CG LEU A 20 -5.377 -6.041 -9.799 1.00 0.00 C ATOM 273 CD1 LEU A 20 -4.832 -6.176 -8.375 1.00 0.00 C ATOM 274 CD2 LEU A 20 -4.378 -5.354 -10.732 1.00 0.00 C ATOM 0 H LEU A 20 -6.147 -9.555 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.874 -7.930 -11.017 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.260 -7.246 -11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.571 -7.815 -9.703 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.260 -5.404 -9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.538 -5.194 -8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.604 -6.593 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.966 -6.837 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.093 -4.389 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.491 -5.979 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.837 -5.204 -11.709 1.00 0.00 H new ATOM 286 N ILE A 21 -4.677 -10.068 -8.727 1.00 0.00 N ATOM 287 CA ILE A 21 -4.247 -10.663 -7.473 1.00 0.00 C ATOM 288 C ILE A 21 -3.023 -11.545 -7.725 1.00 0.00 C ATOM 289 O ILE A 21 -2.273 -11.852 -6.800 1.00 0.00 O ATOM 290 CB ILE A 21 -5.409 -11.399 -6.803 1.00 0.00 C ATOM 291 CG1 ILE A 21 -6.504 -10.420 -6.373 1.00 0.00 C ATOM 292 CG2 ILE A 21 -4.915 -12.255 -5.635 1.00 0.00 C ATOM 293 CD1 ILE A 21 -7.866 -11.114 -6.313 1.00 0.00 C ATOM 0 H ILE A 21 -5.412 -10.582 -9.213 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.942 -9.889 -6.769 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.851 -12.076 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.261 -10.003 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.547 -9.586 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.761 -12.767 -5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.199 -12.991 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.432 -11.617 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.627 -10.397 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.117 -11.509 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.826 -11.932 -5.594 1.00 0.00 H new ATOM 305 N ARG A 22 -2.859 -11.928 -8.983 1.00 0.00 N ATOM 306 CA ARG A 22 -1.739 -12.770 -9.368 1.00 0.00 C ATOM 307 C ARG A 22 -0.525 -11.908 -9.723 1.00 0.00 C ATOM 308 O ARG A 22 -0.532 -11.205 -10.733 1.00 0.00 O ATOM 309 CB ARG A 22 -2.098 -13.650 -10.567 1.00 0.00 C ATOM 310 CG ARG A 22 -2.640 -15.006 -10.109 1.00 0.00 C ATOM 311 CD ARG A 22 -3.594 -15.595 -11.150 1.00 0.00 C ATOM 312 NE ARG A 22 -4.407 -16.670 -10.539 1.00 0.00 N ATOM 313 CZ ARG A 22 -5.319 -17.404 -11.212 1.00 0.00 C ATOM 314 NH1 ARG A 22 -5.542 -17.184 -12.525 1.00 0.00 N ATOM 315 NH2 ARG A 22 -5.990 -18.340 -10.566 1.00 0.00 N ATOM 0 H ARG A 22 -3.483 -11.671 -9.748 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.499 -13.411 -8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.843 -13.146 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.216 -13.798 -11.191 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.812 -15.694 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.160 -14.891 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.245 -14.814 -11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.027 -15.991 -11.993 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.270 -16.869 -9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.020 -16.459 -13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.233 -17.743 -13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.816 -18.499 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.683 -18.903 -11.059 1.00 0.00 H new ATOM 329 N LYS A 23 0.488 -11.990 -8.873 1.00 0.00 N ATOM 330 CA LYS A 23 1.706 -11.226 -9.084 1.00 0.00 C ATOM 331 C LYS A 23 2.870 -12.189 -9.329 1.00 0.00 C ATOM 332 O LYS A 23 2.668 -13.397 -9.440 1.00 0.00 O ATOM 333 CB LYS A 23 1.941 -10.260 -7.921 1.00 0.00 C ATOM 334 CG LYS A 23 0.857 -9.181 -7.877 1.00 0.00 C ATOM 335 CD LYS A 23 1.460 -7.790 -8.082 1.00 0.00 C ATOM 336 CE LYS A 23 0.479 -6.869 -8.809 1.00 0.00 C ATOM 337 NZ LYS A 23 0.497 -5.516 -8.210 1.00 0.00 N ATOM 0 H LYS A 23 0.490 -12.574 -8.037 1.00 0.00 H new ATOM 0 HA LYS A 23 1.615 -10.602 -9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.948 -10.812 -6.981 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.920 -9.793 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.113 -9.376 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.339 -9.219 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.723 -7.358 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.383 -7.871 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.742 -6.809 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.527 -7.284 -8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.175 -4.904 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.224 -5.576 -7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.454 -5.116 -8.285 1.00 0.00 H new ATOM 351 N ALA A 24 4.062 -11.617 -9.406 1.00 0.00 N ATOM 352 CA ALA A 24 5.259 -12.409 -9.635 1.00 0.00 C ATOM 353 C ALA A 24 5.499 -13.322 -8.432 1.00 0.00 C ATOM 354 O ALA A 24 5.455 -12.872 -7.288 1.00 0.00 O ATOM 355 CB ALA A 24 6.443 -11.478 -9.907 1.00 0.00 C ATOM 0 H ALA A 24 4.225 -10.614 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 24 5.137 -13.045 -10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.341 -12.072 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.234 -10.872 -10.789 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.598 -10.826 -9.047 1.00 0.00 H new ATOM 361 N LYS A 25 5.748 -14.589 -8.731 1.00 0.00 N ATOM 362 CA LYS A 25 5.996 -15.570 -7.688 1.00 0.00 C ATOM 363 C LYS A 25 4.715 -15.781 -6.879 1.00 0.00 C ATOM 364 O LYS A 25 4.003 -16.763 -7.082 1.00 0.00 O ATOM 365 CB LYS A 25 7.199 -15.156 -6.839 1.00 0.00 C ATOM 366 CG LYS A 25 8.144 -16.339 -6.614 1.00 0.00 C ATOM 367 CD LYS A 25 8.759 -16.290 -5.214 1.00 0.00 C ATOM 368 CE LYS A 25 8.037 -17.247 -4.264 1.00 0.00 C ATOM 369 NZ LYS A 25 8.758 -17.339 -2.975 1.00 0.00 N ATOM 0 H LYS A 25 5.783 -14.959 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 25 6.260 -16.533 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.736 -14.346 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.856 -14.772 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.599 -17.274 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.935 -16.325 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.815 -16.553 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.703 -15.274 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.018 -16.900 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.965 -18.235 -4.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.255 -17.993 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.722 -17.691 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.804 -16.398 -2.535 1.00 0.00 H new ATOM 383 N GLU A 26 4.460 -14.843 -5.978 1.00 0.00 N ATOM 384 CA GLU A 26 3.278 -14.914 -5.137 1.00 0.00 C ATOM 385 C GLU A 26 2.837 -13.509 -4.721 1.00 0.00 C ATOM 386 O GLU A 26 1.838 -12.995 -5.220 1.00 0.00 O ATOM 387 CB GLU A 26 3.529 -15.795 -3.912 1.00 0.00 C ATOM 388 CG GLU A 26 2.280 -16.604 -3.554 1.00 0.00 C ATOM 389 CD GLU A 26 2.611 -17.704 -2.543 1.00 0.00 C ATOM 390 OE1 GLU A 26 3.090 -18.788 -3.053 1.00 0.00 O ATOM 391 OE2 GLU A 26 2.413 -17.514 -1.333 1.00 0.00 O ATOM 0 H GLU A 26 5.053 -14.029 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 26 2.473 -15.370 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.360 -16.471 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.819 -15.173 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.519 -15.942 -3.140 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.859 -17.049 -4.456 1.00 0.00 H new ATOM 398 N ALA A 27 3.605 -12.928 -3.810 1.00 0.00 N ATOM 399 CA ALA A 27 3.306 -11.593 -3.321 1.00 0.00 C ATOM 400 C ALA A 27 4.387 -11.165 -2.327 1.00 0.00 C ATOM 401 O ALA A 27 4.109 -10.984 -1.142 1.00 0.00 O ATOM 402 CB ALA A 27 1.906 -11.577 -2.704 1.00 0.00 C ATOM 0 H ALA A 27 4.433 -13.358 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 27 3.309 -10.874 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.682 -10.575 -2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.172 -11.860 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.865 -12.284 -1.876 1.00 0.00 H new ATOM 408 N PRO A 28 5.629 -11.012 -2.858 1.00 0.00 N ATOM 409 CA PRO A 28 6.753 -10.609 -2.031 1.00 0.00 C ATOM 410 C PRO A 28 6.677 -9.119 -1.691 1.00 0.00 C ATOM 411 O PRO A 28 5.690 -8.456 -2.006 1.00 0.00 O ATOM 412 CB PRO A 28 7.988 -10.972 -2.840 1.00 0.00 C ATOM 413 CG PRO A 28 7.513 -11.134 -4.275 1.00 0.00 C ATOM 414 CD PRO A 28 5.995 -11.218 -4.257 1.00 0.00 C ATOM 0 HA PRO A 28 6.765 -11.112 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.747 -10.193 -2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.439 -11.893 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.841 -10.291 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.940 -12.033 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.549 -10.459 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.648 -12.186 -4.619 1.00 0.00 H new ATOM 422 N PHE A 29 7.733 -8.636 -1.053 1.00 0.00 N ATOM 423 CA PHE A 29 7.799 -7.237 -0.667 1.00 0.00 C ATOM 424 C PHE A 29 8.619 -6.428 -1.675 1.00 0.00 C ATOM 425 O PHE A 29 8.488 -5.207 -1.749 1.00 0.00 O ATOM 426 CB PHE A 29 8.490 -7.180 0.697 1.00 0.00 C ATOM 427 CG PHE A 29 8.538 -5.781 1.313 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.384 -5.158 1.676 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.733 -5.160 1.498 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.429 -3.859 2.248 1.00 0.00 C ATOM 431 CE2 PHE A 29 9.778 -3.861 2.070 1.00 0.00 C ATOM 432 CZ PHE A 29 8.624 -3.238 2.433 1.00 0.00 C ATOM 0 H PHE A 29 8.550 -9.189 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 29 6.795 -6.814 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.972 -7.850 1.383 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.508 -7.555 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.434 -5.651 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 29 10.649 -5.655 1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.513 -3.364 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.728 -3.368 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.657 -2.250 2.868 1.00 0.00 H new ATOM 442 N VAL A 30 9.445 -7.141 -2.425 1.00 0.00 N ATOM 443 CA VAL A 30 10.286 -6.505 -3.425 1.00 0.00 C ATOM 444 C VAL A 30 9.433 -5.567 -4.281 1.00 0.00 C ATOM 445 O VAL A 30 9.773 -4.398 -4.454 1.00 0.00 O ATOM 446 CB VAL A 30 11.015 -7.569 -4.248 1.00 0.00 C ATOM 447 CG1 VAL A 30 10.987 -7.223 -5.739 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.452 -7.754 -3.756 1.00 0.00 C ATOM 0 H VAL A 30 9.550 -8.154 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 30 11.056 -5.899 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 30 10.490 -8.515 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.512 -7.995 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.953 -7.165 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.476 -6.262 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.947 -8.516 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.992 -6.812 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.442 -8.067 -2.712 1.00 0.00 H new ATOM 458 N PRO A 31 8.312 -6.130 -4.806 1.00 0.00 N ATOM 459 CA PRO A 31 7.407 -5.356 -5.640 1.00 0.00 C ATOM 460 C PRO A 31 6.570 -4.394 -4.795 1.00 0.00 C ATOM 461 O PRO A 31 6.005 -3.434 -5.317 1.00 0.00 O ATOM 462 CB PRO A 31 6.566 -6.390 -6.372 1.00 0.00 C ATOM 463 CG PRO A 31 6.710 -7.680 -5.580 1.00 0.00 C ATOM 464 CD PRO A 31 7.877 -7.511 -4.622 1.00 0.00 C ATOM 0 HA PRO A 31 7.932 -4.715 -6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.523 -6.079 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.912 -6.520 -7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.793 -7.895 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.885 -8.522 -6.250 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.573 -7.696 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.680 -8.212 -4.849 1.00 0.00 H new ATOM 472 N VAL A 32 6.517 -4.684 -3.503 1.00 0.00 N ATOM 473 CA VAL A 32 5.759 -3.857 -2.580 1.00 0.00 C ATOM 474 C VAL A 32 6.512 -2.547 -2.340 1.00 0.00 C ATOM 475 O VAL A 32 5.904 -1.479 -2.278 1.00 0.00 O ATOM 476 CB VAL A 32 5.480 -4.631 -1.291 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.735 -3.759 -0.278 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.704 -5.918 -1.581 1.00 0.00 C ATOM 0 H VAL A 32 6.987 -5.481 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 32 4.789 -3.601 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 32 6.439 -4.909 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.549 -4.334 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.339 -2.885 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.785 -3.437 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.519 -6.449 -0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.753 -5.671 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.287 -6.552 -2.250 1.00 0.00 H new ATOM 488 N GLY A 33 7.825 -2.672 -2.210 1.00 0.00 N ATOM 489 CA GLY A 33 8.667 -1.511 -1.978 1.00 0.00 C ATOM 490 C GLY A 33 8.849 -0.699 -3.262 1.00 0.00 C ATOM 491 O GLY A 33 8.683 0.520 -3.258 1.00 0.00 O ATOM 0 H GLY A 33 8.326 -3.559 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.222 -0.883 -1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.640 -1.832 -1.606 1.00 0.00 H new ATOM 495 N ILE A 34 9.188 -1.407 -4.329 1.00 0.00 N ATOM 496 CA ILE A 34 9.394 -0.768 -5.617 1.00 0.00 C ATOM 497 C ILE A 34 8.094 -0.095 -6.061 1.00 0.00 C ATOM 498 O ILE A 34 8.059 1.115 -6.276 1.00 0.00 O ATOM 499 CB ILE A 34 9.945 -1.772 -6.632 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.440 -2.011 -6.410 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.642 -1.327 -8.064 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.242 -0.731 -6.653 1.00 0.00 C ATOM 0 H ILE A 34 9.325 -2.418 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 34 10.148 0.015 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 34 9.440 -2.726 -6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.609 -2.362 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.790 -2.796 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.044 -2.058 -8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.563 -1.249 -8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.102 -0.356 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.301 -0.929 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.090 -0.396 -7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.906 0.045 -5.965 1.00 0.00 H new ATOM 514 N ALA A 35 7.056 -0.910 -6.186 1.00 0.00 N ATOM 515 CA ALA A 35 5.757 -0.409 -6.601 1.00 0.00 C ATOM 516 C ALA A 35 5.239 0.581 -5.556 1.00 0.00 C ATOM 517 O ALA A 35 4.999 1.747 -5.865 1.00 0.00 O ATOM 518 CB ALA A 35 4.801 -1.584 -6.815 1.00 0.00 C ATOM 0 H ALA A 35 7.089 -1.914 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 35 5.836 0.124 -7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.826 -1.208 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.200 -2.242 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.695 -2.141 -5.884 1.00 0.00 H new ATOM 524 N GLY A 36 5.083 0.080 -4.339 1.00 0.00 N ATOM 525 CA GLY A 36 4.598 0.906 -3.246 1.00 0.00 C ATOM 526 C GLY A 36 5.239 2.295 -3.283 1.00 0.00 C ATOM 527 O GLY A 36 4.562 3.301 -3.075 1.00 0.00 O ATOM 0 H GLY A 36 5.284 -0.887 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.514 1.000 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.821 0.424 -2.294 1.00 0.00 H new ATOM 531 N PHE A 37 6.537 2.306 -3.549 1.00 0.00 N ATOM 532 CA PHE A 37 7.277 3.555 -3.616 1.00 0.00 C ATOM 533 C PHE A 37 6.773 4.430 -4.765 1.00 0.00 C ATOM 534 O PHE A 37 6.341 5.561 -4.547 1.00 0.00 O ATOM 535 CB PHE A 37 8.742 3.194 -3.868 1.00 0.00 C ATOM 536 CG PHE A 37 9.643 4.402 -4.135 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.953 5.256 -3.123 1.00 0.00 C ATOM 538 CD2 PHE A 37 10.134 4.621 -5.384 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.789 6.376 -3.371 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.971 5.741 -5.632 1.00 0.00 C ATOM 541 CZ PHE A 37 11.280 6.595 -4.620 1.00 0.00 C ATOM 0 H PHE A 37 7.095 1.470 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 37 7.150 4.113 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.126 2.651 -3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.797 2.517 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.563 5.082 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.887 3.943 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.035 7.054 -2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 37 11.362 5.914 -6.624 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.916 7.448 -4.808 1.00 0.00 H new ATOM 551 N ALA A 38 6.846 3.873 -5.966 1.00 0.00 N ATOM 552 CA ALA A 38 6.403 4.589 -7.150 1.00 0.00 C ATOM 553 C ALA A 38 4.966 5.069 -6.943 1.00 0.00 C ATOM 554 O ALA A 38 4.696 6.268 -6.981 1.00 0.00 O ATOM 555 CB ALA A 38 6.545 3.684 -8.376 1.00 0.00 C ATOM 0 H ALA A 38 7.205 2.935 -6.144 1.00 0.00 H new ATOM 0 HA ALA A 38 7.023 5.469 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.213 4.221 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.589 3.395 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.934 2.791 -8.242 1.00 0.00 H new ATOM 561 N ALA A 39 4.079 4.107 -6.730 1.00 0.00 N ATOM 562 CA ALA A 39 2.676 4.417 -6.517 1.00 0.00 C ATOM 563 C ALA A 39 2.556 5.534 -5.479 1.00 0.00 C ATOM 564 O ALA A 39 1.989 6.589 -5.760 1.00 0.00 O ATOM 565 CB ALA A 39 1.931 3.148 -6.095 1.00 0.00 C ATOM 0 H ALA A 39 4.305 3.113 -6.701 1.00 0.00 H new ATOM 0 HA ALA A 39 2.218 4.774 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.878 3.380 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.022 2.395 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.362 2.763 -5.171 1.00 0.00 H new ATOM 571 N ILE A 40 3.100 5.265 -4.301 1.00 0.00 N ATOM 572 CA ILE A 40 3.061 6.235 -3.220 1.00 0.00 C ATOM 573 C ILE A 40 3.297 7.636 -3.788 1.00 0.00 C ATOM 574 O ILE A 40 2.475 8.532 -3.600 1.00 0.00 O ATOM 575 CB ILE A 40 4.046 5.846 -2.115 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.446 4.780 -1.196 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.511 7.079 -1.337 1.00 0.00 C ATOM 578 CD1 ILE A 40 4.532 4.112 -0.350 1.00 0.00 C ATOM 0 H ILE A 40 3.570 4.389 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 40 2.077 6.242 -2.751 1.00 0.00 H new ATOM 0 HB ILE A 40 4.928 5.408 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.700 5.235 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.931 4.028 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.210 6.775 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.005 7.773 -2.017 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.650 7.568 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.079 3.358 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.263 3.638 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.029 4.863 0.264 1.00 0.00 H new ATOM 590 N VAL A 41 4.422 7.781 -4.473 1.00 0.00 N ATOM 591 CA VAL A 41 4.776 9.057 -5.070 1.00 0.00 C ATOM 592 C VAL A 41 3.593 9.577 -5.890 1.00 0.00 C ATOM 593 O VAL A 41 3.234 10.749 -5.794 1.00 0.00 O ATOM 594 CB VAL A 41 6.057 8.912 -5.894 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.298 10.153 -6.756 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.259 8.628 -4.992 1.00 0.00 C ATOM 0 H VAL A 41 5.100 7.035 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 41 4.985 9.796 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 41 5.931 8.060 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.215 10.024 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.458 10.292 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.393 11.029 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.157 8.529 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.388 9.450 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.091 7.702 -4.442 1.00 0.00 H new ATOM 606 N ALA A 42 3.020 8.679 -6.678 1.00 0.00 N ATOM 607 CA ALA A 42 1.886 9.032 -7.514 1.00 0.00 C ATOM 608 C ALA A 42 0.749 9.551 -6.632 1.00 0.00 C ATOM 609 O ALA A 42 0.313 10.691 -6.782 1.00 0.00 O ATOM 610 CB ALA A 42 1.469 7.819 -8.348 1.00 0.00 C ATOM 0 H ALA A 42 3.320 7.707 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 42 2.155 9.828 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.618 8.084 -8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.302 7.507 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.190 7.000 -7.685 1.00 0.00 H new ATOM 616 N TYR A 43 0.302 8.689 -5.730 1.00 0.00 N ATOM 617 CA TYR A 43 -0.776 9.046 -4.823 1.00 0.00 C ATOM 618 C TYR A 43 -0.547 10.433 -4.219 1.00 0.00 C ATOM 619 O TYR A 43 -1.365 11.334 -4.397 1.00 0.00 O ATOM 620 CB TYR A 43 -0.747 8.005 -3.703 1.00 0.00 C ATOM 621 CG TYR A 43 -1.830 6.931 -3.825 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.108 7.184 -3.369 1.00 0.00 C ATOM 623 CD2 TYR A 43 -1.529 5.708 -4.390 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.127 6.173 -3.483 1.00 0.00 C ATOM 625 CE2 TYR A 43 -2.548 4.697 -4.504 1.00 0.00 C ATOM 626 CZ TYR A 43 -3.797 4.980 -4.045 1.00 0.00 C ATOM 627 OH TYR A 43 -4.759 4.025 -4.153 1.00 0.00 O ATOM 0 H TYR A 43 0.667 7.744 -5.608 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.730 9.067 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.230 7.522 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.860 8.513 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.344 8.141 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.529 5.509 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.131 6.358 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.326 3.736 -4.944 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.380 3.226 -4.575 1.00 0.00 H new ATOM 637 N GLY A 44 0.570 10.561 -3.518 1.00 0.00 N ATOM 638 CA GLY A 44 0.917 11.823 -2.887 1.00 0.00 C ATOM 639 C GLY A 44 0.759 12.988 -3.866 1.00 0.00 C ATOM 640 O GLY A 44 0.212 14.031 -3.513 1.00 0.00 O ATOM 0 H GLY A 44 1.246 9.811 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.281 11.986 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.945 11.783 -2.527 1.00 0.00 H new ATOM 644 N LEU A 45 1.250 12.770 -5.078 1.00 0.00 N ATOM 645 CA LEU A 45 1.171 13.789 -6.111 1.00 0.00 C ATOM 646 C LEU A 45 -0.294 14.172 -6.332 1.00 0.00 C ATOM 647 O LEU A 45 -0.633 15.354 -6.361 1.00 0.00 O ATOM 648 CB LEU A 45 1.882 13.320 -7.382 1.00 0.00 C ATOM 649 CG LEU A 45 2.975 14.246 -7.920 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.152 13.441 -8.473 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.408 15.219 -8.956 1.00 0.00 C ATOM 0 H LEU A 45 1.704 11.903 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 45 1.694 14.692 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.325 12.343 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.134 13.181 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 45 3.355 14.844 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.915 14.123 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.576 12.824 -7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.806 12.801 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.205 15.866 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.984 14.658 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.630 15.828 -8.496 1.00 0.00 H new ATOM 663 N TYR A 46 -1.124 13.150 -6.483 1.00 0.00 N ATOM 664 CA TYR A 46 -2.544 13.365 -6.701 1.00 0.00 C ATOM 665 C TYR A 46 -3.186 14.052 -5.494 1.00 0.00 C ATOM 666 O TYR A 46 -3.801 15.108 -5.631 1.00 0.00 O ATOM 667 CB TYR A 46 -3.160 11.974 -6.869 1.00 0.00 C ATOM 668 CG TYR A 46 -3.312 11.533 -8.326 1.00 0.00 C ATOM 669 CD1 TYR A 46 -4.252 12.138 -9.136 1.00 0.00 C ATOM 670 CD2 TYR A 46 -2.509 10.531 -8.831 1.00 0.00 C ATOM 671 CE1 TYR A 46 -4.396 11.722 -10.507 1.00 0.00 C ATOM 672 CE2 TYR A 46 -2.653 10.115 -10.202 1.00 0.00 C ATOM 673 CZ TYR A 46 -3.589 10.732 -10.973 1.00 0.00 C ATOM 674 OH TYR A 46 -3.724 10.339 -12.268 1.00 0.00 O ATOM 0 H TYR A 46 -0.840 12.171 -6.459 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.707 14.002 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.541 11.248 -6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.140 11.962 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.879 12.923 -8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.772 10.059 -8.198 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.129 12.186 -11.151 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.032 9.331 -10.609 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.082 9.625 -12.462 1.00 0.00 H new ATOM 684 N LYS A 47 -3.021 13.423 -4.339 1.00 0.00 N ATOM 685 CA LYS A 47 -3.577 13.961 -3.109 1.00 0.00 C ATOM 686 C LYS A 47 -3.186 15.434 -2.979 1.00 0.00 C ATOM 687 O LYS A 47 -4.026 16.278 -2.669 1.00 0.00 O ATOM 688 CB LYS A 47 -3.157 13.105 -1.913 1.00 0.00 C ATOM 689 CG LYS A 47 -4.288 12.169 -1.483 1.00 0.00 C ATOM 690 CD LYS A 47 -3.733 10.876 -0.882 1.00 0.00 C ATOM 691 CE LYS A 47 -4.736 9.730 -1.024 1.00 0.00 C ATOM 692 NZ LYS A 47 -4.391 8.622 -0.106 1.00 0.00 N ATOM 0 H LYS A 47 -2.511 12.547 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.666 13.921 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.275 12.520 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.878 13.750 -1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.922 12.671 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.917 11.934 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.800 10.611 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.500 11.031 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.742 10.090 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.742 9.369 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.082 7.853 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.440 8.268 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.409 8.966 0.875 1.00 0.00 H new ATOM 706 N LEU A 48 -1.911 15.699 -3.222 1.00 0.00 N ATOM 707 CA LEU A 48 -1.398 17.055 -3.136 1.00 0.00 C ATOM 708 C LEU A 48 -2.386 18.013 -3.806 1.00 0.00 C ATOM 709 O LEU A 48 -2.821 18.988 -3.196 1.00 0.00 O ATOM 710 CB LEU A 48 0.018 17.131 -3.710 1.00 0.00 C ATOM 711 CG LEU A 48 1.142 17.357 -2.697 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.381 16.103 -1.855 1.00 0.00 C ATOM 713 CD2 LEU A 48 2.419 17.834 -3.392 1.00 0.00 C ATOM 0 H LEU A 48 -1.217 14.997 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.311 17.363 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.221 16.204 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.049 17.937 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 48 0.833 18.149 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.185 16.291 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.469 15.849 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.659 15.275 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.202 17.987 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.744 17.083 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.222 18.772 -3.910 1.00 0.00 H new ATOM 725 N LYS A 49 -2.710 17.700 -5.052 1.00 0.00 N ATOM 726 CA LYS A 49 -3.638 18.521 -5.812 1.00 0.00 C ATOM 727 C LYS A 49 -4.816 18.911 -4.918 1.00 0.00 C ATOM 728 O LYS A 49 -5.217 18.145 -4.043 1.00 0.00 O ATOM 729 CB LYS A 49 -4.053 17.807 -7.100 1.00 0.00 C ATOM 730 CG LYS A 49 -4.400 18.814 -8.198 1.00 0.00 C ATOM 731 CD LYS A 49 -3.713 18.448 -9.515 1.00 0.00 C ATOM 732 CE LYS A 49 -4.081 19.441 -10.619 1.00 0.00 C ATOM 733 NZ LYS A 49 -3.454 19.046 -11.901 1.00 0.00 N ATOM 0 H LYS A 49 -2.347 16.890 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.157 19.447 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.244 17.160 -7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.913 17.167 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.480 18.842 -8.343 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.094 19.814 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.632 18.438 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.005 17.441 -9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.164 19.481 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.753 20.442 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.714 19.730 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.420 19.031 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.787 18.099 -12.173 1.00 0.00 H new ATOM 747 N SER A 50 -5.339 20.103 -5.169 1.00 0.00 N ATOM 748 CA SER A 50 -6.463 20.604 -4.397 1.00 0.00 C ATOM 749 C SER A 50 -7.742 20.543 -5.236 1.00 0.00 C ATOM 750 O SER A 50 -7.692 20.657 -6.460 1.00 0.00 O ATOM 751 CB SER A 50 -6.209 22.036 -3.920 1.00 0.00 C ATOM 752 OG SER A 50 -5.041 22.129 -3.109 1.00 0.00 O ATOM 0 H SER A 50 -5.005 20.736 -5.896 1.00 0.00 H new ATOM 0 HA SER A 50 -6.582 19.972 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.104 22.693 -4.784 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.072 22.388 -3.355 1.00 0.00 H new ATOM 0 HG SER A 50 -4.912 23.058 -2.826 1.00 0.00 H new ATOM 758 N ARG A 51 -8.857 20.365 -4.544 1.00 0.00 N ATOM 759 CA ARG A 51 -10.147 20.287 -5.209 1.00 0.00 C ATOM 760 C ARG A 51 -10.276 18.963 -5.965 1.00 0.00 C ATOM 761 O ARG A 51 -11.177 18.173 -5.689 1.00 0.00 O ATOM 762 CB ARG A 51 -10.330 21.447 -6.191 1.00 0.00 C ATOM 763 CG ARG A 51 -11.552 22.290 -5.821 1.00 0.00 C ATOM 764 CD ARG A 51 -12.489 22.452 -7.019 1.00 0.00 C ATOM 765 NE ARG A 51 -13.399 21.288 -7.111 1.00 0.00 N ATOM 766 CZ ARG A 51 -14.343 21.139 -8.065 1.00 0.00 C ATOM 767 NH1 ARG A 51 -14.510 22.081 -9.017 1.00 0.00 N ATOM 768 NH2 ARG A 51 -15.100 20.057 -8.051 1.00 0.00 N ATOM 0 H ARG A 51 -8.894 20.272 -3.529 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.920 20.348 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.438 22.073 -6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.445 21.057 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.088 21.819 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.229 23.271 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.068 23.370 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.907 22.543 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.307 20.553 -6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.921 22.914 -9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.225 21.960 -9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.967 19.351 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.818 19.928 -8.764 1.00 0.00 H new ATOM 782 N GLY A 52 -9.361 18.762 -6.902 1.00 0.00 N ATOM 783 CA GLY A 52 -9.361 17.547 -7.699 1.00 0.00 C ATOM 784 C GLY A 52 -9.116 16.317 -6.823 1.00 0.00 C ATOM 785 O GLY A 52 -7.990 15.830 -6.732 1.00 0.00 O ATOM 0 H GLY A 52 -8.615 19.420 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.316 17.446 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.589 17.611 -8.466 1.00 0.00 H new ATOM 789 N ASN A 53 -10.188 15.849 -6.201 1.00 0.00 N ATOM 790 CA ASN A 53 -10.103 14.685 -5.335 1.00 0.00 C ATOM 791 C ASN A 53 -9.165 14.991 -4.166 1.00 0.00 C ATOM 792 O ASN A 53 -7.953 15.091 -4.348 1.00 0.00 O ATOM 793 CB ASN A 53 -9.541 13.478 -6.089 1.00 0.00 C ATOM 794 CG ASN A 53 -10.002 12.168 -5.448 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.146 12.007 -5.057 1.00 0.00 O ATOM 796 ND2 ASN A 53 -9.050 11.243 -5.362 1.00 0.00 N ATOM 0 H ASN A 53 -11.120 16.255 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.108 14.454 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.865 13.512 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.452 13.522 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.258 10.334 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.112 11.443 -5.709 1.00 0.00 H new ATOM 803 N THR A 54 -9.762 15.132 -2.992 1.00 0.00 N ATOM 804 CA THR A 54 -8.995 15.425 -1.793 1.00 0.00 C ATOM 805 C THR A 54 -9.769 14.995 -0.546 1.00 0.00 C ATOM 806 O THR A 54 -10.999 14.999 -0.543 1.00 0.00 O ATOM 807 CB THR A 54 -8.644 16.914 -1.808 1.00 0.00 C ATOM 808 OG1 THR A 54 -7.913 17.111 -0.601 1.00 0.00 O ATOM 809 CG2 THR A 54 -9.876 17.807 -1.647 1.00 0.00 C ATOM 0 H THR A 54 -10.768 15.049 -2.845 1.00 0.00 H new ATOM 0 HA THR A 54 -8.065 14.858 -1.770 1.00 0.00 H new ATOM 0 HB THR A 54 -8.138 17.158 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.644 18.051 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.572 18.853 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.572 17.618 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.364 17.587 -0.697 1.00 0.00 H new ATOM 817 N LYS A 55 -9.017 14.636 0.484 1.00 0.00 N ATOM 818 CA LYS A 55 -9.618 14.204 1.735 1.00 0.00 C ATOM 819 C LYS A 55 -8.781 14.726 2.904 1.00 0.00 C ATOM 820 O LYS A 55 -9.237 15.577 3.667 1.00 0.00 O ATOM 821 CB LYS A 55 -9.807 12.686 1.743 1.00 0.00 C ATOM 822 CG LYS A 55 -10.915 12.276 2.715 1.00 0.00 C ATOM 823 CD LYS A 55 -11.902 11.316 2.048 1.00 0.00 C ATOM 824 CE LYS A 55 -12.993 10.882 3.029 1.00 0.00 C ATOM 825 NZ LYS A 55 -14.254 11.607 2.757 1.00 0.00 N ATOM 0 H LYS A 55 -7.997 14.635 0.478 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.617 14.626 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.054 12.341 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.873 12.201 2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.476 11.801 3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.444 13.163 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.357 11.799 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.369 10.439 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.159 9.808 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.669 11.076 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.983 11.300 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.096 12.630 2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.571 11.401 1.788 1.00 0.00 H new ATOM 839 N MET A 56 -7.572 14.195 3.009 1.00 0.00 N ATOM 840 CA MET A 56 -6.667 14.596 4.072 1.00 0.00 C ATOM 841 C MET A 56 -6.062 15.972 3.787 1.00 0.00 C ATOM 842 O MET A 56 -6.327 16.567 2.743 1.00 0.00 O ATOM 843 CB MET A 56 -5.547 13.563 4.207 1.00 0.00 C ATOM 844 CG MET A 56 -5.931 12.465 5.201 1.00 0.00 C ATOM 845 SD MET A 56 -4.460 11.702 5.866 1.00 0.00 S ATOM 846 CE MET A 56 -4.224 10.394 4.674 1.00 0.00 C ATOM 0 H MET A 56 -7.198 13.490 2.374 1.00 0.00 H new ATOM 0 HA MET A 56 -7.232 14.654 5.002 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.337 13.120 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.632 14.054 4.538 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.529 12.887 6.009 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.548 11.715 4.706 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.340 9.814 4.940 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.098 9.743 4.671 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.089 10.826 3.682 1.00 0.00 H new ATOM 856 N SER A 57 -5.259 16.437 4.732 1.00 0.00 N ATOM 857 CA SER A 57 -4.613 17.732 4.595 1.00 0.00 C ATOM 858 C SER A 57 -3.225 17.695 5.239 1.00 0.00 C ATOM 859 O SER A 57 -2.225 17.981 4.582 1.00 0.00 O ATOM 860 CB SER A 57 -5.460 18.839 5.225 1.00 0.00 C ATOM 861 OG SER A 57 -6.694 19.025 4.536 1.00 0.00 O ATOM 0 H SER A 57 -5.041 15.941 5.596 1.00 0.00 H new ATOM 0 HA SER A 57 -4.508 17.951 3.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.661 18.593 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.898 19.773 5.220 1.00 0.00 H new ATOM 0 HG SER A 57 -7.206 19.739 4.970 1.00 0.00 H new ATOM 867 N ILE A 58 -3.209 17.341 6.515 1.00 0.00 N ATOM 868 CA ILE A 58 -1.960 17.263 7.254 1.00 0.00 C ATOM 869 C ILE A 58 -1.075 18.453 6.879 1.00 0.00 C ATOM 870 O ILE A 58 -0.286 18.372 5.938 1.00 0.00 O ATOM 871 CB ILE A 58 -1.291 15.905 7.034 1.00 0.00 C ATOM 872 CG1 ILE A 58 -2.168 14.769 7.564 1.00 0.00 C ATOM 873 CG2 ILE A 58 0.111 15.879 7.645 1.00 0.00 C ATOM 874 CD1 ILE A 58 -2.426 14.929 9.064 1.00 0.00 C ATOM 0 H ILE A 58 -4.041 17.105 7.056 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.147 17.330 8.326 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.178 15.750 5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.117 14.757 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.683 13.812 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.564 14.902 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.725 16.650 7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.044 16.066 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.052 14.109 9.415 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.477 14.916 9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.933 15.876 9.247 1.00 0.00 H new ATOM 886 N HIS A 59 -1.236 19.531 7.633 1.00 0.00 N ATOM 887 CA HIS A 59 -0.461 20.736 7.391 1.00 0.00 C ATOM 888 C HIS A 59 0.404 21.044 8.614 1.00 0.00 C ATOM 889 O HIS A 59 -0.091 21.064 9.740 1.00 0.00 O ATOM 890 CB HIS A 59 -1.374 21.900 7.002 1.00 0.00 C ATOM 891 CG HIS A 59 -1.954 22.646 8.179 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.253 22.457 8.621 1.00 0.00 N ATOM 893 CD2 HIS A 59 -1.400 23.581 9.003 1.00 0.00 C ATOM 894 CE1 HIS A 59 -3.460 23.249 9.662 1.00 0.00 C ATOM 895 NE2 HIS A 59 -2.310 23.945 9.897 1.00 0.00 N ATOM 0 H HIS A 59 -1.892 19.595 8.412 1.00 0.00 H new ATOM 0 HA HIS A 59 0.209 20.578 6.546 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.811 22.599 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.190 21.519 6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.391 23.961 8.939 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.378 23.330 10.226 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.173 24.632 10.638 1.00 0.00 H new ATOM 903 N LEU A 60 1.682 21.277 8.352 1.00 0.00 N ATOM 904 CA LEU A 60 2.620 21.584 9.418 1.00 0.00 C ATOM 905 C LEU A 60 3.854 22.268 8.825 1.00 0.00 C ATOM 906 O LEU A 60 4.244 23.346 9.270 1.00 0.00 O ATOM 907 CB LEU A 60 2.944 20.325 10.226 1.00 0.00 C ATOM 908 CG LEU A 60 3.108 20.520 11.735 1.00 0.00 C ATOM 909 CD1 LEU A 60 4.065 21.675 12.038 1.00 0.00 C ATOM 910 CD2 LEU A 60 1.750 20.708 12.414 1.00 0.00 C ATOM 0 H LEU A 60 2.089 21.259 7.417 1.00 0.00 H new ATOM 0 HA LEU A 60 2.176 22.284 10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.152 19.596 10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.864 19.892 9.833 1.00 0.00 H new ATOM 0 HG LEU A 60 3.553 19.616 12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.164 21.792 13.117 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.042 21.461 11.605 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.672 22.596 11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.895 20.844 13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.255 21.586 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.132 19.827 12.241 1.00 0.00 H new ATOM 922 N ILE A 61 4.433 21.613 7.829 1.00 0.00 N ATOM 923 CA ILE A 61 5.614 22.144 7.170 1.00 0.00 C ATOM 924 C ILE A 61 5.937 21.288 5.945 1.00 0.00 C ATOM 925 O ILE A 61 5.933 21.783 4.819 1.00 0.00 O ATOM 926 CB ILE A 61 6.773 22.262 8.162 1.00 0.00 C ATOM 927 CG1 ILE A 61 8.044 22.751 7.464 1.00 0.00 C ATOM 928 CG2 ILE A 61 6.998 20.941 8.902 1.00 0.00 C ATOM 929 CD1 ILE A 61 8.281 24.238 7.738 1.00 0.00 C ATOM 0 H ILE A 61 4.106 20.719 7.462 1.00 0.00 H new ATOM 0 HA ILE A 61 5.428 23.156 6.811 1.00 0.00 H new ATOM 0 HB ILE A 61 6.508 23.009 8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.900 22.172 7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.961 22.584 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.827 21.052 9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.095 20.673 9.450 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.232 20.156 8.183 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.190 24.561 7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.434 24.816 7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.388 24.398 8.811 1.00 0.00 H new ATOM 941 N HIS A 62 6.210 20.017 6.205 1.00 0.00 N ATOM 942 CA HIS A 62 6.535 19.088 5.137 1.00 0.00 C ATOM 943 C HIS A 62 5.351 18.148 4.896 1.00 0.00 C ATOM 944 O HIS A 62 5.475 16.935 5.057 1.00 0.00 O ATOM 945 CB HIS A 62 7.833 18.339 5.445 1.00 0.00 C ATOM 946 CG HIS A 62 9.067 18.981 4.856 1.00 0.00 C ATOM 947 ND1 HIS A 62 9.140 19.394 3.537 1.00 0.00 N ATOM 948 CD2 HIS A 62 10.273 19.278 5.421 1.00 0.00 C ATOM 949 CE1 HIS A 62 10.341 19.913 3.328 1.00 0.00 C ATOM 950 NE2 HIS A 62 11.042 19.840 4.496 1.00 0.00 N ATOM 0 H HIS A 62 6.213 19.610 7.140 1.00 0.00 H new ATOM 0 HA HIS A 62 6.711 19.638 4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.953 18.270 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 62 7.751 17.320 5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.554 19.088 6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.702 20.322 2.396 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.999 20.164 4.636 1.00 0.00 H new ATOM 958 N MET A 63 4.232 18.745 4.515 1.00 0.00 N ATOM 959 CA MET A 63 3.027 17.976 4.251 1.00 0.00 C ATOM 960 C MET A 63 3.123 17.251 2.907 1.00 0.00 C ATOM 961 O MET A 63 2.491 17.655 1.933 1.00 0.00 O ATOM 962 CB MET A 63 1.816 18.912 4.240 1.00 0.00 C ATOM 963 CG MET A 63 2.061 20.115 3.326 1.00 0.00 C ATOM 964 SD MET A 63 0.506 20.738 2.708 1.00 0.00 S ATOM 965 CE MET A 63 1.100 21.898 1.489 1.00 0.00 C ATOM 0 H MET A 63 4.134 19.752 4.383 1.00 0.00 H new ATOM 0 HA MET A 63 2.915 17.230 5.038 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.934 18.368 3.902 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.609 19.257 5.253 1.00 0.00 H new ATOM 0 HG2 MET A 63 2.584 20.898 3.874 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.703 19.825 2.494 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.252 22.381 1.003 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.718 22.653 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.693 21.370 0.743 1.00 0.00 H new ATOM 975 N ARG A 64 3.919 16.192 2.899 1.00 0.00 N ATOM 976 CA ARG A 64 4.106 15.406 1.691 1.00 0.00 C ATOM 977 C ARG A 64 5.055 14.236 1.960 1.00 0.00 C ATOM 978 O ARG A 64 4.620 13.092 2.071 1.00 0.00 O ATOM 979 CB ARG A 64 4.673 16.264 0.558 1.00 0.00 C ATOM 980 CG ARG A 64 4.872 15.434 -0.712 1.00 0.00 C ATOM 981 CD ARG A 64 6.163 15.831 -1.431 1.00 0.00 C ATOM 982 NE ARG A 64 5.864 16.229 -2.824 1.00 0.00 N ATOM 983 CZ ARG A 64 5.433 15.377 -3.779 1.00 0.00 C ATOM 984 NH1 ARG A 64 5.246 14.070 -3.497 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.198 15.841 -4.992 1.00 0.00 N ATOM 0 H ARG A 64 4.442 15.860 3.709 1.00 0.00 H new ATOM 0 HA ARG A 64 3.130 15.025 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.997 17.094 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.625 16.697 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.905 14.375 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.022 15.575 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.644 16.655 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.864 14.996 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 64 5.991 17.208 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.430 13.720 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.920 13.433 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.342 16.830 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.872 15.211 -5.725 1.00 0.00 H new ATOM 999 N VAL A 65 6.335 14.565 2.057 1.00 0.00 N ATOM 1000 CA VAL A 65 7.350 13.556 2.311 1.00 0.00 C ATOM 1001 C VAL A 65 7.205 13.044 3.746 1.00 0.00 C ATOM 1002 O VAL A 65 7.149 11.837 3.975 1.00 0.00 O ATOM 1003 CB VAL A 65 8.739 14.125 2.016 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.096 15.238 3.003 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.798 13.021 2.029 1.00 0.00 C ATOM 0 H VAL A 65 6.692 15.516 1.964 1.00 0.00 H new ATOM 0 HA VAL A 65 7.216 12.703 1.646 1.00 0.00 H new ATOM 0 HB VAL A 65 8.718 14.558 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.088 15.625 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.365 16.043 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.090 14.840 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.776 13.453 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.816 12.546 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.557 12.277 1.270 1.00 0.00 H new ATOM 1015 N ALA A 66 7.150 13.988 4.674 1.00 0.00 N ATOM 1016 CA ALA A 66 7.013 13.647 6.080 1.00 0.00 C ATOM 1017 C ALA A 66 5.852 12.665 6.252 1.00 0.00 C ATOM 1018 O ALA A 66 6.045 11.548 6.729 1.00 0.00 O ATOM 1019 CB ALA A 66 6.821 14.925 6.899 1.00 0.00 C ATOM 0 H ALA A 66 7.198 14.988 4.480 1.00 0.00 H new ATOM 0 HA ALA A 66 7.916 13.158 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.718 14.669 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.685 15.576 6.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.922 15.442 6.562 1.00 0.00 H new ATOM 1025 N ALA A 67 4.672 13.117 5.854 1.00 0.00 N ATOM 1026 CA ALA A 67 3.481 12.292 5.958 1.00 0.00 C ATOM 1027 C ALA A 67 3.747 10.935 5.304 1.00 0.00 C ATOM 1028 O ALA A 67 3.148 9.930 5.685 1.00 0.00 O ATOM 1029 CB ALA A 67 2.296 13.023 5.323 1.00 0.00 C ATOM 0 H ALA A 67 4.515 14.044 5.459 1.00 0.00 H new ATOM 0 HA ALA A 67 3.230 12.111 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.402 12.404 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.130 13.967 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.510 13.220 4.273 1.00 0.00 H new ATOM 1035 N GLN A 68 4.645 10.949 4.330 1.00 0.00 N ATOM 1036 CA GLN A 68 4.997 9.732 3.619 1.00 0.00 C ATOM 1037 C GLN A 68 5.786 8.793 4.534 1.00 0.00 C ATOM 1038 O GLN A 68 5.564 7.583 4.528 1.00 0.00 O ATOM 1039 CB GLN A 68 5.786 10.048 2.347 1.00 0.00 C ATOM 1040 CG GLN A 68 5.417 9.083 1.219 1.00 0.00 C ATOM 1041 CD GLN A 68 4.501 9.758 0.196 1.00 0.00 C ATOM 1042 OE1 GLN A 68 4.941 10.434 -0.719 1.00 0.00 O ATOM 1043 NE2 GLN A 68 3.205 9.539 0.402 1.00 0.00 N ATOM 0 H GLN A 68 5.139 11.784 4.017 1.00 0.00 H new ATOM 0 HA GLN A 68 4.077 9.230 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.584 11.073 2.035 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.855 9.982 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.323 8.732 0.725 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.920 8.206 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.904 8.963 1.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.513 9.947 -0.226 1.00 0.00 H new ATOM 1052 N GLY A 69 6.692 9.386 5.297 1.00 0.00 N ATOM 1053 CA GLY A 69 7.516 8.617 6.216 1.00 0.00 C ATOM 1054 C GLY A 69 6.665 7.992 7.323 1.00 0.00 C ATOM 1055 O GLY A 69 6.744 6.789 7.567 1.00 0.00 O ATOM 0 H GLY A 69 6.874 10.390 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.042 7.833 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.275 9.263 6.657 1.00 0.00 H new ATOM 1059 N PHE A 70 5.871 8.837 7.964 1.00 0.00 N ATOM 1060 CA PHE A 70 5.007 8.382 9.040 1.00 0.00 C ATOM 1061 C PHE A 70 3.999 7.349 8.533 1.00 0.00 C ATOM 1062 O PHE A 70 3.674 6.395 9.239 1.00 0.00 O ATOM 1063 CB PHE A 70 4.249 9.608 9.553 1.00 0.00 C ATOM 1064 CG PHE A 70 3.855 9.523 11.029 1.00 0.00 C ATOM 1065 CD1 PHE A 70 2.681 8.937 11.387 1.00 0.00 C ATOM 1066 CD2 PHE A 70 4.678 10.035 11.983 1.00 0.00 C ATOM 1067 CE1 PHE A 70 2.316 8.858 12.757 1.00 0.00 C ATOM 1068 CE2 PHE A 70 4.313 9.956 13.353 1.00 0.00 C ATOM 1069 CZ PHE A 70 3.139 9.369 13.711 1.00 0.00 C ATOM 0 H PHE A 70 5.808 9.834 7.759 1.00 0.00 H new ATOM 0 HA PHE A 70 5.603 7.915 9.824 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.867 10.493 9.403 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.348 9.742 8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.027 8.532 10.629 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.609 10.502 11.699 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.384 8.392 13.041 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.967 10.362 14.111 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.861 9.309 14.753 1.00 0.00 H new ATOM 1079 N VAL A 71 3.531 7.574 7.314 1.00 0.00 N ATOM 1080 CA VAL A 71 2.566 6.674 6.705 1.00 0.00 C ATOM 1081 C VAL A 71 3.238 5.328 6.423 1.00 0.00 C ATOM 1082 O VAL A 71 2.826 4.301 6.959 1.00 0.00 O ATOM 1083 CB VAL A 71 1.969 7.318 5.452 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.358 6.261 4.531 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.936 8.384 5.824 1.00 0.00 C ATOM 0 H VAL A 71 3.802 8.366 6.732 1.00 0.00 H new ATOM 0 HA VAL A 71 1.735 6.487 7.386 1.00 0.00 H new ATOM 0 HB VAL A 71 2.777 7.808 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.941 6.745 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.130 5.554 4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.568 5.730 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.527 8.827 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.131 7.926 6.399 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.413 9.160 6.422 1.00 0.00 H new ATOM 1095 N VAL A 72 4.260 5.378 5.581 1.00 0.00 N ATOM 1096 CA VAL A 72 4.992 4.176 5.222 1.00 0.00 C ATOM 1097 C VAL A 72 5.486 3.484 6.494 1.00 0.00 C ATOM 1098 O VAL A 72 5.720 2.277 6.498 1.00 0.00 O ATOM 1099 CB VAL A 72 6.124 4.523 4.253 1.00 0.00 C ATOM 1100 CG1 VAL A 72 5.605 5.353 3.077 1.00 0.00 C ATOM 1101 CG2 VAL A 72 7.262 5.247 4.975 1.00 0.00 C ATOM 0 H VAL A 72 4.598 6.232 5.137 1.00 0.00 H new ATOM 0 HA VAL A 72 4.340 3.474 4.703 1.00 0.00 H new ATOM 0 HB VAL A 72 6.521 3.589 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.430 5.586 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.846 4.786 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.169 6.280 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.053 5.482 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.885 6.170 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.660 4.606 5.761 1.00 0.00 H new ATOM 1111 N GLY A 73 5.629 4.280 7.544 1.00 0.00 N ATOM 1112 CA GLY A 73 6.090 3.759 8.820 1.00 0.00 C ATOM 1113 C GLY A 73 5.038 2.846 9.452 1.00 0.00 C ATOM 1114 O GLY A 73 5.274 1.653 9.632 1.00 0.00 O ATOM 0 H GLY A 73 5.434 5.281 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.018 3.206 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.312 4.585 9.495 1.00 0.00 H new ATOM 1118 N ALA A 74 3.899 3.443 9.773 1.00 0.00 N ATOM 1119 CA ALA A 74 2.810 2.699 10.382 1.00 0.00 C ATOM 1120 C ALA A 74 2.423 1.532 9.470 1.00 0.00 C ATOM 1121 O ALA A 74 2.051 0.462 9.950 1.00 0.00 O ATOM 1122 CB ALA A 74 1.636 3.642 10.653 1.00 0.00 C ATOM 0 H ALA A 74 3.707 4.433 9.623 1.00 0.00 H new ATOM 0 HA ALA A 74 3.119 2.280 11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.819 3.084 11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.955 4.436 11.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.296 4.079 9.714 1.00 0.00 H new ATOM 1128 N MET A 75 2.523 1.779 8.172 1.00 0.00 N ATOM 1129 CA MET A 75 2.188 0.762 7.190 1.00 0.00 C ATOM 1130 C MET A 75 3.214 -0.373 7.203 1.00 0.00 C ATOM 1131 O MET A 75 2.848 -1.546 7.148 1.00 0.00 O ATOM 1132 CB MET A 75 2.144 1.394 5.797 1.00 0.00 C ATOM 1133 CG MET A 75 0.720 1.391 5.238 1.00 0.00 C ATOM 1134 SD MET A 75 0.735 1.891 3.525 1.00 0.00 S ATOM 1135 CE MET A 75 0.878 0.295 2.738 1.00 0.00 C ATOM 0 H MET A 75 2.831 2.668 7.778 1.00 0.00 H new ATOM 0 HA MET A 75 1.212 0.347 7.443 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.517 2.417 5.846 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.804 0.846 5.124 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.286 0.395 5.331 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.092 2.068 5.817 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.901 0.424 1.656 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.797 -0.191 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.023 -0.323 3.011 1.00 0.00 H new ATOM 1145 N THR A 76 4.479 0.016 7.278 1.00 0.00 N ATOM 1146 CA THR A 76 5.560 -0.954 7.300 1.00 0.00 C ATOM 1147 C THR A 76 5.386 -1.920 8.474 1.00 0.00 C ATOM 1148 O THR A 76 5.510 -3.132 8.308 1.00 0.00 O ATOM 1149 CB THR A 76 6.883 -0.187 7.335 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.118 0.163 5.973 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.070 -1.082 7.699 1.00 0.00 C ATOM 0 H THR A 76 4.779 0.990 7.324 1.00 0.00 H new ATOM 0 HA THR A 76 5.552 -1.576 6.405 1.00 0.00 H new ATOM 0 HB THR A 76 6.810 0.629 8.054 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.500 0.876 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.984 -0.488 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.909 -1.517 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.164 -1.879 6.962 1.00 0.00 H new ATOM 1159 N VAL A 77 5.103 -1.346 9.634 1.00 0.00 N ATOM 1160 CA VAL A 77 4.911 -2.140 10.835 1.00 0.00 C ATOM 1161 C VAL A 77 3.706 -3.064 10.643 1.00 0.00 C ATOM 1162 O VAL A 77 3.796 -4.266 10.887 1.00 0.00 O ATOM 1163 CB VAL A 77 4.774 -1.224 12.052 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.418 -2.026 13.305 1.00 0.00 C ATOM 1165 CG2 VAL A 77 6.048 -0.405 12.269 1.00 0.00 C ATOM 0 H VAL A 77 5.002 -0.340 9.767 1.00 0.00 H new ATOM 0 HA VAL A 77 5.780 -2.772 11.018 1.00 0.00 H new ATOM 0 HB VAL A 77 3.958 -0.528 11.857 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.327 -1.351 14.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.471 -2.543 13.149 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.202 -2.756 13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.923 0.238 13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.890 -1.078 12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.240 0.210 11.389 1.00 0.00 H new ATOM 1175 N GLY A 78 2.606 -2.466 10.208 1.00 0.00 N ATOM 1176 CA GLY A 78 1.385 -3.220 9.981 1.00 0.00 C ATOM 1177 C GLY A 78 1.635 -4.398 9.037 1.00 0.00 C ATOM 1178 O GLY A 78 1.170 -5.509 9.287 1.00 0.00 O ATOM 0 H GLY A 78 2.535 -1.469 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.998 -3.587 10.932 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.623 -2.566 9.558 1.00 0.00 H new ATOM 1182 N MET A 79 2.370 -4.115 7.971 1.00 0.00 N ATOM 1183 CA MET A 79 2.688 -5.137 6.988 1.00 0.00 C ATOM 1184 C MET A 79 3.576 -6.225 7.596 1.00 0.00 C ATOM 1185 O MET A 79 3.284 -7.413 7.468 1.00 0.00 O ATOM 1186 CB MET A 79 3.406 -4.496 5.799 1.00 0.00 C ATOM 1187 CG MET A 79 2.422 -3.735 4.909 1.00 0.00 C ATOM 1188 SD MET A 79 2.011 -4.717 3.475 1.00 0.00 S ATOM 1189 CE MET A 79 0.837 -5.848 4.200 1.00 0.00 C ATOM 0 H MET A 79 2.754 -3.193 7.767 1.00 0.00 H new ATOM 0 HA MET A 79 1.758 -5.598 6.656 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.177 -3.815 6.159 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.909 -5.267 5.215 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.518 -3.500 5.470 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.859 -2.786 4.597 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.188 -6.247 3.421 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.371 -6.667 4.683 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.234 -5.322 4.940 1.00 0.00 H new ATOM 1199 N GLY A 80 4.642 -5.779 8.245 1.00 0.00 N ATOM 1200 CA GLY A 80 5.575 -6.700 8.872 1.00 0.00 C ATOM 1201 C GLY A 80 4.837 -7.718 9.744 1.00 0.00 C ATOM 1202 O GLY A 80 5.170 -8.903 9.737 1.00 0.00 O ATOM 0 H GLY A 80 4.880 -4.793 8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.149 -7.221 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.288 -6.143 9.480 1.00 0.00 H new ATOM 1206 N TYR A 81 3.849 -7.220 10.473 1.00 0.00 N ATOM 1207 CA TYR A 81 3.062 -8.072 11.348 1.00 0.00 C ATOM 1208 C TYR A 81 1.919 -8.740 10.580 1.00 0.00 C ATOM 1209 O TYR A 81 1.373 -9.748 11.025 1.00 0.00 O ATOM 1210 CB TYR A 81 2.472 -7.149 12.416 1.00 0.00 C ATOM 1211 CG TYR A 81 3.266 -7.122 13.723 1.00 0.00 C ATOM 1212 CD1 TYR A 81 3.043 -8.086 14.686 1.00 0.00 C ATOM 1213 CD2 TYR A 81 4.205 -6.135 13.940 1.00 0.00 C ATOM 1214 CE1 TYR A 81 3.790 -8.061 15.916 1.00 0.00 C ATOM 1215 CE2 TYR A 81 4.953 -6.110 15.170 1.00 0.00 C ATOM 1216 CZ TYR A 81 4.709 -7.074 16.098 1.00 0.00 C ATOM 1217 OH TYR A 81 5.415 -7.050 17.260 1.00 0.00 O ATOM 0 H TYR A 81 3.576 -6.237 10.476 1.00 0.00 H new ATOM 0 HA TYR A 81 3.681 -8.862 11.774 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.416 -6.137 12.016 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.451 -7.464 12.630 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.308 -8.859 14.516 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.379 -5.381 13.187 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.625 -8.809 16.677 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.691 -5.343 15.352 1.00 0.00 H new ATOM 0 HH TYR A 81 6.035 -6.291 17.250 1.00 0.00 H new ATOM 1227 N SER A 82 1.591 -8.150 9.439 1.00 0.00 N ATOM 1228 CA SER A 82 0.524 -8.675 8.606 1.00 0.00 C ATOM 1229 C SER A 82 -0.729 -8.918 9.450 1.00 0.00 C ATOM 1230 O SER A 82 -0.727 -8.670 10.655 1.00 0.00 O ATOM 1231 CB SER A 82 0.953 -9.968 7.910 1.00 0.00 C ATOM 1232 OG SER A 82 2.177 -9.810 7.197 1.00 0.00 O ATOM 0 H SER A 82 2.046 -7.314 9.073 1.00 0.00 H new ATOM 0 HA SER A 82 0.298 -7.937 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.065 -10.759 8.652 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.170 -10.286 7.221 1.00 0.00 H new ATOM 0 HG SER A 82 2.394 -8.857 7.126 1.00 0.00 H new ATOM 1238 N MET A 83 -1.768 -9.401 8.785 1.00 0.00 N ATOM 1239 CA MET A 83 -3.024 -9.680 9.459 1.00 0.00 C ATOM 1240 C MET A 83 -3.485 -11.114 9.189 1.00 0.00 C ATOM 1241 O MET A 83 -4.404 -11.337 8.403 1.00 0.00 O ATOM 1242 CB MET A 83 -4.094 -8.700 8.973 1.00 0.00 C ATOM 1243 CG MET A 83 -5.220 -8.563 10.000 1.00 0.00 C ATOM 1244 SD MET A 83 -5.784 -6.871 10.066 1.00 0.00 S ATOM 1245 CE MET A 83 -5.892 -6.649 11.834 1.00 0.00 C ATOM 0 H MET A 83 -1.765 -9.606 7.786 1.00 0.00 H new ATOM 0 HA MET A 83 -2.872 -9.563 10.532 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.643 -7.725 8.791 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.503 -9.045 8.023 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.048 -9.221 9.734 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.867 -8.876 10.983 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.233 -5.637 12.054 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.599 -7.368 12.248 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.910 -6.806 12.281 1.00 0.00 H new ATOM 1255 N TYR A 84 -2.825 -12.049 9.857 1.00 0.00 N ATOM 1256 CA TYR A 84 -3.155 -13.455 9.699 1.00 0.00 C ATOM 1257 C TYR A 84 -4.019 -13.949 10.861 1.00 0.00 C ATOM 1258 O TYR A 84 -4.294 -13.200 11.797 1.00 0.00 O ATOM 1259 CB TYR A 84 -1.822 -14.205 9.714 1.00 0.00 C ATOM 1260 CG TYR A 84 -1.587 -15.081 8.482 1.00 0.00 C ATOM 1261 CD1 TYR A 84 -1.722 -14.544 7.218 1.00 0.00 C ATOM 1262 CD2 TYR A 84 -1.239 -16.408 8.634 1.00 0.00 C ATOM 1263 CE1 TYR A 84 -1.501 -15.368 6.058 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -1.017 -17.232 7.474 1.00 0.00 C ATOM 1265 CZ TYR A 84 -1.159 -16.672 6.243 1.00 0.00 C ATOM 1266 OH TYR A 84 -0.950 -17.450 5.148 1.00 0.00 O ATOM 0 H TYR A 84 -2.063 -11.860 10.509 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.715 -13.617 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.011 -13.481 9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.779 -14.831 10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.993 -13.505 7.099 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.133 -16.828 9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.604 -14.960 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.744 -18.272 7.579 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.712 -18.357 5.432 1.00 0.00 H new ATOM 1276 N ARG A 85 -4.422 -15.208 10.763 1.00 0.00 N ATOM 1277 CA ARG A 85 -5.248 -15.811 11.795 1.00 0.00 C ATOM 1278 C ARG A 85 -4.439 -16.001 13.079 1.00 0.00 C ATOM 1279 O ARG A 85 -3.975 -17.103 13.368 1.00 0.00 O ATOM 1280 CB ARG A 85 -5.795 -17.166 11.340 1.00 0.00 C ATOM 1281 CG ARG A 85 -7.259 -17.049 10.908 1.00 0.00 C ATOM 1282 CD ARG A 85 -7.921 -18.427 10.839 1.00 0.00 C ATOM 1283 NE ARG A 85 -8.321 -18.865 12.195 1.00 0.00 N ATOM 1284 CZ ARG A 85 -8.514 -20.154 12.547 1.00 0.00 C ATOM 1285 NH1 ARG A 85 -8.345 -21.144 11.645 1.00 0.00 N ATOM 1286 NH2 ARG A 85 -8.870 -20.431 13.788 1.00 0.00 N ATOM 0 H ARG A 85 -4.192 -15.826 9.985 1.00 0.00 H new ATOM 0 HA ARG A 85 -6.085 -15.139 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.197 -17.544 10.511 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.708 -17.888 12.152 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.800 -16.416 11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.317 -16.564 9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.794 -18.388 10.188 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.231 -19.150 10.403 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.459 -18.149 12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.069 -20.921 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.493 -22.115 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.995 -19.677 14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -9.020 -21.399 14.071 1.00 0.00 H new ATOM 1300 N GLU A 86 -4.296 -14.909 13.817 1.00 0.00 N ATOM 1301 CA GLU A 86 -3.551 -14.942 15.064 1.00 0.00 C ATOM 1302 C GLU A 86 -2.148 -15.504 14.830 1.00 0.00 C ATOM 1303 O GLU A 86 -1.908 -16.692 15.041 1.00 0.00 O ATOM 1304 CB GLU A 86 -4.296 -15.752 16.127 1.00 0.00 C ATOM 1305 CG GLU A 86 -5.519 -14.989 16.640 1.00 0.00 C ATOM 1306 CD GLU A 86 -5.181 -14.199 17.906 1.00 0.00 C ATOM 1307 OE1 GLU A 86 -4.190 -13.454 17.926 1.00 0.00 O ATOM 1308 OE2 GLU A 86 -5.990 -14.380 18.894 1.00 0.00 O ATOM 0 H GLU A 86 -4.683 -13.997 13.575 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.455 -13.921 15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.609 -16.708 15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.626 -15.972 16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.878 -14.309 15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.328 -15.689 16.849 1.00 0.00 H new ATOM 1315 N PHE A 87 -1.257 -14.624 14.397 1.00 0.00 N ATOM 1316 CA PHE A 87 0.117 -15.018 14.132 1.00 0.00 C ATOM 1317 C PHE A 87 0.989 -13.798 13.831 1.00 0.00 C ATOM 1318 O PHE A 87 0.516 -12.820 13.253 1.00 0.00 O ATOM 1319 CB PHE A 87 0.091 -15.929 12.903 1.00 0.00 C ATOM 1320 CG PHE A 87 1.265 -16.907 12.829 1.00 0.00 C ATOM 1321 CD1 PHE A 87 1.341 -17.946 13.705 1.00 0.00 C ATOM 1322 CD2 PHE A 87 2.233 -16.739 11.889 1.00 0.00 C ATOM 1323 CE1 PHE A 87 2.430 -18.854 13.636 1.00 0.00 C ATOM 1324 CE2 PHE A 87 3.322 -17.647 11.820 1.00 0.00 C ATOM 1325 CZ PHE A 87 3.398 -18.686 12.695 1.00 0.00 C ATOM 0 H PHE A 87 -1.459 -13.640 14.223 1.00 0.00 H new ATOM 0 HA PHE A 87 0.535 -15.522 15.003 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.841 -16.495 12.902 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.089 -15.311 12.005 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.573 -18.080 14.452 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.173 -15.914 11.194 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.490 -19.679 14.331 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.090 -17.513 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.226 -19.377 12.643 1.00 0.00 H new ATOM 1335 N TRP A 88 2.247 -13.895 14.235 1.00 0.00 N ATOM 1336 CA TRP A 88 3.189 -12.811 14.015 1.00 0.00 C ATOM 1337 C TRP A 88 4.571 -13.426 13.786 1.00 0.00 C ATOM 1338 O TRP A 88 4.989 -14.316 14.524 1.00 0.00 O ATOM 1339 CB TRP A 88 3.163 -11.817 15.178 1.00 0.00 C ATOM 1340 CG TRP A 88 3.826 -12.336 16.456 1.00 0.00 C ATOM 1341 CD1 TRP A 88 3.257 -13.003 17.469 1.00 0.00 C ATOM 1342 CD2 TRP A 88 5.217 -12.203 16.817 1.00 0.00 C ATOM 1343 NE1 TRP A 88 4.175 -13.308 18.453 1.00 0.00 N ATOM 1344 CE2 TRP A 88 5.405 -12.807 18.044 1.00 0.00 C ATOM 1345 CE3 TRP A 88 6.282 -11.594 16.130 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 6.645 -12.859 18.691 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 7.515 -11.655 16.790 1.00 0.00 C ATOM 1348 CH2 TRP A 88 7.720 -12.258 18.025 1.00 0.00 C ATOM 0 H TRP A 88 2.636 -14.708 14.713 1.00 0.00 H new ATOM 0 HA TRP A 88 2.913 -12.234 13.133 1.00 0.00 H new ATOM 0 HB2 TRP A 88 3.663 -10.899 14.869 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.127 -11.558 15.398 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.211 -13.269 17.510 1.00 0.00 H new ATOM 0 HE1 TRP A 88 3.986 -13.809 19.321 1.00 0.00 H new ATOM 0 HE3 TRP A 88 6.159 -11.117 15.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 6.766 -13.337 19.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.367 -11.201 16.305 1.00 0.00 H new ATOM 0 HH2 TRP A 88 8.704 -12.263 18.469 1.00 0.00 H new ATOM 1359 N ALA A 89 5.242 -12.926 12.758 1.00 0.00 N ATOM 1360 CA ALA A 89 6.569 -13.415 12.422 1.00 0.00 C ATOM 1361 C ALA A 89 7.160 -12.548 11.308 1.00 0.00 C ATOM 1362 O ALA A 89 6.517 -12.323 10.284 1.00 0.00 O ATOM 1363 CB ALA A 89 6.484 -14.892 12.028 1.00 0.00 C ATOM 0 H ALA A 89 4.892 -12.188 12.147 1.00 0.00 H new ATOM 0 HA ALA A 89 7.234 -13.344 13.283 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.479 -15.259 11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.085 -15.469 12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.828 -15.001 11.165 1.00 0.00 H new ATOM 1369 N LYS A 90 8.378 -12.085 11.547 1.00 0.00 N ATOM 1370 CA LYS A 90 9.063 -11.247 10.577 1.00 0.00 C ATOM 1371 C LYS A 90 10.323 -11.965 10.089 1.00 0.00 C ATOM 1372 O LYS A 90 10.912 -12.760 10.821 1.00 0.00 O ATOM 1373 CB LYS A 90 9.334 -9.860 11.164 1.00 0.00 C ATOM 1374 CG LYS A 90 10.337 -9.939 12.316 1.00 0.00 C ATOM 1375 CD LYS A 90 10.733 -8.540 12.795 1.00 0.00 C ATOM 1376 CE LYS A 90 10.036 -8.193 14.112 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.924 -8.481 15.260 1.00 0.00 N ATOM 0 H LYS A 90 8.908 -12.274 12.398 1.00 0.00 H new ATOM 0 HA LYS A 90 8.432 -11.081 9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.719 -9.201 10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.401 -9.423 11.519 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.903 -10.501 13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.225 -10.482 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.814 -8.490 12.927 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.470 -7.804 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.757 -7.139 14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.114 -8.767 14.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.435 -8.240 16.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.169 -9.492 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.792 -7.914 15.178 1.00 0.00 H new ATOM 1391 N PRO A 91 10.710 -11.652 8.824 1.00 0.00 N ATOM 1392 CA PRO A 91 11.889 -12.258 8.230 1.00 0.00 C ATOM 1393 C PRO A 91 13.168 -11.650 8.808 1.00 0.00 C ATOM 1394 O PRO A 91 13.320 -10.430 8.842 1.00 0.00 O ATOM 1395 CB PRO A 91 11.742 -12.022 6.735 1.00 0.00 C ATOM 1396 CG PRO A 91 10.732 -10.896 6.588 1.00 0.00 C ATOM 1397 CD PRO A 91 10.037 -10.715 7.928 1.00 0.00 C ATOM 0 HA PRO A 91 11.968 -13.324 8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.698 -11.750 6.287 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.398 -12.924 6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.230 -9.974 6.288 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.006 -11.134 5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.128 -9.690 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.972 -10.933 7.854 1.00 0.00 H new ATOM 1405 N LYS A 92 14.056 -12.530 9.249 1.00 0.00 N ATOM 1406 CA LYS A 92 15.318 -12.095 9.824 1.00 0.00 C ATOM 1407 C LYS A 92 16.473 -12.687 9.015 1.00 0.00 C ATOM 1408 O LYS A 92 17.035 -13.715 9.389 1.00 0.00 O ATOM 1409 CB LYS A 92 15.373 -12.436 11.315 1.00 0.00 C ATOM 1410 CG LYS A 92 15.454 -11.167 12.165 1.00 0.00 C ATOM 1411 CD LYS A 92 14.079 -10.790 12.721 1.00 0.00 C ATOM 1412 CE LYS A 92 14.133 -10.611 14.240 1.00 0.00 C ATOM 1413 NZ LYS A 92 13.647 -11.831 14.923 1.00 0.00 N ATOM 0 H LYS A 92 13.926 -13.541 9.220 1.00 0.00 H new ATOM 0 HA LYS A 92 15.410 -11.011 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.488 -13.009 11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.238 -13.068 11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.153 -11.320 12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.844 -10.346 11.563 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.734 -9.867 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.355 -11.565 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 92 15.155 -10.396 14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.524 -9.756 14.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.690 -11.693 15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.664 -12.019 14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.245 -12.639 14.657 1.00 0.00 H new ATOM 1427 N PRO A 93 16.802 -11.995 7.891 1.00 0.00 N ATOM 1428 CA PRO A 93 17.881 -12.441 7.026 1.00 0.00 C ATOM 1429 C PRO A 93 19.245 -12.142 7.651 1.00 0.00 C ATOM 1430 O PRO A 93 19.354 -11.293 8.534 1.00 0.00 O ATOM 1431 CB PRO A 93 17.658 -11.712 5.711 1.00 0.00 C ATOM 1432 CG PRO A 93 16.745 -10.540 6.034 1.00 0.00 C ATOM 1433 CD PRO A 93 16.159 -10.773 7.417 1.00 0.00 C ATOM 0 HA PRO A 93 17.878 -13.520 6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 93 18.603 -11.367 5.291 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.202 -12.370 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.302 -9.604 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.951 -10.459 5.292 1.00 0.00 H new ATOM 0 HD2 PRO A 93 16.366 -9.934 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.076 -10.887 7.374 1.00 0.00 H new TER 1441 PRO A 93