USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 65 GLN : amide:sc= 0.319 K(o=-0.17,f=-12!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -178:sc= -0.488 (180deg=-1.04) USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 0.0361 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -167:sc= 1.65 (180deg=0.643) USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -175:sc= -0.184 (180deg=-0.211) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.64! C(o=-2.6!,f=-6.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -159:sc= -0.0612 (180deg=-0.666) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0413) USER MOD Single : A 24 ASN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -2.57! C(o=-2.6!,f=-5.6!) USER MOD Single : A 29 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.73) USER MOD Single : A 30 SER OG : rot -110:sc= 0.845 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 34 THR OG1 : rot -150:sc= -0.39 USER MOD Single : A 36 ASN : amide:sc= -0.0473 K(o=-0.047,f=-2.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -28:sc= 1.06 USER MOD Single : A 51 THR OG1 : rot 116:sc= -0.199 USER MOD Single : A 54 SER OG : rot 130:sc= 1.1 USER MOD Single : A 63 ASN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= -3.5! (180deg=-3.95!) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= 0.0187! (180deg=-0.0564) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.18) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 73:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.057 0.069 5.526 1.00 0.00 N ATOM 2 CA SER A 1 3.157 0.028 4.073 1.00 0.00 C ATOM 3 C SER A 1 3.668 -1.334 3.611 1.00 0.00 C ATOM 4 O SER A 1 3.678 -1.629 2.418 1.00 0.00 O ATOM 5 CB SER A 1 4.103 1.125 3.584 1.00 0.00 C ATOM 6 OG SER A 1 3.598 2.394 3.986 1.00 0.00 O ATOM 0 H1 SER A 1 2.629 0.970 5.819 1.00 0.00 H new ATOM 0 H2 SER A 1 2.464 -0.719 5.856 1.00 0.00 H new ATOM 0 H3 SER A 1 4.007 -0.014 5.942 1.00 0.00 H new ATOM 0 HA SER A 1 2.165 0.192 3.653 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.101 0.971 3.995 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.195 1.085 2.499 1.00 0.00 H new ATOM 0 HG SER A 1 4.203 3.100 3.676 1.00 0.00 H new ATOM 12 N CYS A 2 4.084 -2.161 4.569 1.00 0.00 N ATOM 13 CA CYS A 2 4.590 -3.497 4.257 1.00 0.00 C ATOM 14 C CYS A 2 4.531 -4.403 5.487 1.00 0.00 C ATOM 15 O CYS A 2 4.966 -4.020 6.571 1.00 0.00 O ATOM 16 CB CYS A 2 6.037 -3.412 3.753 1.00 0.00 C ATOM 17 SG CYS A 2 6.071 -2.783 2.055 1.00 0.00 S ATOM 0 H CYS A 2 4.081 -1.931 5.563 1.00 0.00 H new ATOM 0 HA CYS A 2 3.959 -3.923 3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.618 -2.758 4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 2 6.502 -4.397 3.793 1.00 0.00 H new ATOM 22 N TYR A 3 4.003 -5.614 5.303 1.00 0.00 N ATOM 23 CA TYR A 3 3.906 -6.584 6.399 1.00 0.00 C ATOM 24 C TYR A 3 4.105 -8.002 5.869 1.00 0.00 C ATOM 25 O TYR A 3 3.860 -8.274 4.694 1.00 0.00 O ATOM 26 CB TYR A 3 2.543 -6.468 7.087 1.00 0.00 C ATOM 27 CG TYR A 3 1.442 -6.648 6.071 1.00 0.00 C ATOM 28 CD1 TYR A 3 0.994 -5.551 5.326 1.00 0.00 C ATOM 29 CD2 TYR A 3 0.868 -7.910 5.874 1.00 0.00 C ATOM 30 CE1 TYR A 3 -0.027 -5.714 4.384 1.00 0.00 C ATOM 31 CE2 TYR A 3 -0.155 -8.073 4.932 1.00 0.00 C ATOM 32 CZ TYR A 3 -0.602 -6.975 4.186 1.00 0.00 C ATOM 33 OH TYR A 3 -1.608 -7.136 3.257 1.00 0.00 O ATOM 0 H TYR A 3 3.637 -5.947 4.411 1.00 0.00 H new ATOM 0 HA TYR A 3 4.688 -6.368 7.126 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.455 -7.221 7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.450 -5.495 7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.437 -4.578 5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.214 -8.757 6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.372 -4.867 3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.600 -9.046 4.781 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.895 -8.073 3.244 1.00 0.00 H new ATOM 43 N PHE A 4 4.579 -8.901 6.737 1.00 0.00 N ATOM 44 CA PHE A 4 4.841 -10.289 6.338 1.00 0.00 C ATOM 45 C PHE A 4 3.824 -11.262 6.932 1.00 0.00 C ATOM 46 O PHE A 4 3.555 -11.241 8.132 1.00 0.00 O ATOM 47 CB PHE A 4 6.236 -10.699 6.815 1.00 0.00 C ATOM 48 CG PHE A 4 7.278 -9.933 6.044 1.00 0.00 C ATOM 49 CD1 PHE A 4 7.732 -10.421 4.814 1.00 0.00 C ATOM 50 CD2 PHE A 4 7.792 -8.738 6.560 1.00 0.00 C ATOM 51 CE1 PHE A 4 8.702 -9.713 4.097 1.00 0.00 C ATOM 52 CE2 PHE A 4 8.763 -8.030 5.844 1.00 0.00 C ATOM 53 CZ PHE A 4 9.219 -8.518 4.614 1.00 0.00 C ATOM 0 H PHE A 4 4.788 -8.696 7.714 1.00 0.00 H new ATOM 0 HA PHE A 4 4.766 -10.335 5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.340 -10.501 7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.379 -11.770 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.334 -11.344 4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.440 -8.363 7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.052 -10.087 3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.161 -7.107 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.971 -7.972 4.063 1.00 0.00 H new ATOM 63 N ILE A 5 3.287 -12.132 6.073 1.00 0.00 N ATOM 64 CA ILE A 5 2.319 -13.147 6.494 1.00 0.00 C ATOM 65 C ILE A 5 2.959 -14.541 6.342 1.00 0.00 C ATOM 66 O ILE A 5 3.097 -15.033 5.222 1.00 0.00 O ATOM 67 CB ILE A 5 1.066 -13.058 5.595 1.00 0.00 C ATOM 68 CG1 ILE A 5 0.173 -11.877 6.029 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.257 -14.357 5.655 1.00 0.00 C ATOM 70 CD1 ILE A 5 -0.371 -12.061 7.458 1.00 0.00 C ATOM 0 H ILE A 5 3.508 -12.153 5.077 1.00 0.00 H new ATOM 0 HA ILE A 5 2.034 -12.982 7.533 1.00 0.00 H new ATOM 0 HB ILE A 5 1.402 -12.899 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.745 -10.951 5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.660 -11.778 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.620 -14.269 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.875 -15.187 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.061 -14.541 6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.994 -11.207 7.723 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.966 -12.973 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.462 -12.133 8.158 1.00 0.00 H new ATOM 82 N PRO A 6 3.343 -15.197 7.418 1.00 0.00 N ATOM 83 CA PRO A 6 3.954 -16.551 7.332 1.00 0.00 C ATOM 84 C PRO A 6 2.905 -17.639 7.126 1.00 0.00 C ATOM 85 O PRO A 6 1.738 -17.465 7.474 1.00 0.00 O ATOM 86 CB PRO A 6 4.686 -16.709 8.672 1.00 0.00 C ATOM 87 CG PRO A 6 3.932 -15.847 9.641 1.00 0.00 C ATOM 88 CD PRO A 6 3.248 -14.736 8.819 1.00 0.00 C ATOM 0 HA PRO A 6 4.622 -16.652 6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.694 -17.750 8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.726 -16.393 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.193 -16.435 10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.607 -15.418 10.382 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.210 -14.601 9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.748 -13.777 8.956 1.00 0.00 H new ATOM 96 N ASN A 7 3.329 -18.763 6.561 1.00 0.00 N ATOM 97 CA ASN A 7 2.421 -19.873 6.318 1.00 0.00 C ATOM 98 C ASN A 7 2.128 -20.598 7.627 1.00 0.00 C ATOM 99 O ASN A 7 1.971 -21.819 7.652 1.00 0.00 O ATOM 100 CB ASN A 7 3.050 -20.845 5.319 1.00 0.00 C ATOM 101 CG ASN A 7 2.012 -21.852 4.843 1.00 0.00 C ATOM 102 OD1 ASN A 7 1.007 -22.075 5.519 1.00 0.00 O ATOM 103 ND2 ASN A 7 2.191 -22.473 3.710 1.00 0.00 N ATOM 0 H ASN A 7 4.291 -18.928 6.264 1.00 0.00 H new ATOM 0 HA ASN A 7 1.488 -19.488 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.451 -20.295 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.887 -21.366 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.498 -23.145 3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.024 -22.286 3.152 1.00 0.00 H new ATOM 110 N GLU A 8 2.065 -19.833 8.717 1.00 0.00 N ATOM 111 CA GLU A 8 1.803 -20.393 10.043 1.00 0.00 C ATOM 112 C GLU A 8 0.424 -19.967 10.531 1.00 0.00 C ATOM 113 O GLU A 8 0.055 -20.210 11.680 1.00 0.00 O ATOM 114 CB GLU A 8 2.875 -19.909 11.024 1.00 0.00 C ATOM 115 CG GLU A 8 4.226 -20.507 10.627 1.00 0.00 C ATOM 116 CD GLU A 8 5.327 -19.972 11.537 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.004 -19.240 12.459 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.476 -20.305 11.301 1.00 0.00 O ATOM 0 H GLU A 8 2.192 -18.821 8.707 1.00 0.00 H new ATOM 0 HA GLU A 8 1.832 -21.481 9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.929 -18.820 11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.616 -20.207 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.185 -21.594 10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.450 -20.260 9.589 1.00 0.00 H new ATOM 125 N GLY A 9 -0.337 -19.330 9.640 1.00 0.00 N ATOM 126 CA GLY A 9 -1.684 -18.868 9.975 1.00 0.00 C ATOM 127 C GLY A 9 -2.065 -17.643 9.153 1.00 0.00 C ATOM 128 O GLY A 9 -2.211 -16.544 9.688 1.00 0.00 O ATOM 0 H GLY A 9 -0.045 -19.123 8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.402 -19.668 9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.736 -18.627 11.037 1.00 0.00 H new ATOM 132 N VAL A 10 -2.242 -17.841 7.850 1.00 0.00 N ATOM 133 CA VAL A 10 -2.623 -16.746 6.964 1.00 0.00 C ATOM 134 C VAL A 10 -4.137 -16.539 7.019 1.00 0.00 C ATOM 135 O VAL A 10 -4.880 -17.494 7.243 1.00 0.00 O ATOM 136 CB VAL A 10 -2.185 -17.065 5.526 1.00 0.00 C ATOM 137 CG1 VAL A 10 -0.705 -17.473 5.510 1.00 0.00 C ATOM 138 CG2 VAL A 10 -3.030 -18.211 4.955 1.00 0.00 C ATOM 0 H VAL A 10 -2.129 -18.743 7.387 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.129 -15.831 7.290 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.327 -16.174 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.401 -17.698 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.098 -16.655 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.564 -18.356 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.709 -18.427 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.901 -19.100 5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.081 -17.921 4.951 1.00 0.00 H new ATOM 148 N PRO A 11 -4.619 -15.331 6.822 1.00 0.00 N ATOM 149 CA PRO A 11 -6.085 -15.059 6.860 1.00 0.00 C ATOM 150 C PRO A 11 -6.811 -15.641 5.645 1.00 0.00 C ATOM 151 O PRO A 11 -6.245 -15.726 4.555 1.00 0.00 O ATOM 152 CB PRO A 11 -6.169 -13.526 6.897 1.00 0.00 C ATOM 153 CG PRO A 11 -4.918 -13.053 6.224 1.00 0.00 C ATOM 154 CD PRO A 11 -3.842 -14.101 6.532 1.00 0.00 C ATOM 0 HA PRO A 11 -6.573 -15.527 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.057 -13.167 6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.229 -13.159 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.068 -12.954 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.623 -12.072 6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.169 -14.243 5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.228 -13.806 7.383 1.00 0.00 H new ATOM 162 N GLY A 12 -8.064 -16.040 5.843 1.00 0.00 N ATOM 163 CA GLY A 12 -8.858 -16.610 4.759 1.00 0.00 C ATOM 164 C GLY A 12 -8.118 -17.762 4.085 1.00 0.00 C ATOM 165 O GLY A 12 -8.265 -17.986 2.884 1.00 0.00 O ATOM 0 H GLY A 12 -8.549 -15.980 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.812 -16.965 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.083 -15.838 4.023 1.00 0.00 H new ATOM 169 N ASP A 13 -7.322 -18.485 4.864 1.00 0.00 N ATOM 170 CA ASP A 13 -6.556 -19.609 4.332 1.00 0.00 C ATOM 171 C ASP A 13 -7.474 -20.618 3.648 1.00 0.00 C ATOM 172 O ASP A 13 -8.556 -20.927 4.146 1.00 0.00 O ATOM 173 CB ASP A 13 -5.811 -20.301 5.472 1.00 0.00 C ATOM 174 CG ASP A 13 -4.923 -21.410 4.918 1.00 0.00 C ATOM 175 OD1 ASP A 13 -5.011 -21.674 3.729 1.00 0.00 O ATOM 176 OD2 ASP A 13 -4.168 -21.979 5.688 1.00 0.00 O ATOM 0 H ASP A 13 -7.189 -18.316 5.861 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.848 -19.227 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.205 -19.575 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.524 -20.716 6.184 1.00 0.00 H new ATOM 181 N SER A 14 -7.027 -21.133 2.499 1.00 0.00 N ATOM 182 CA SER A 14 -7.806 -22.116 1.742 1.00 0.00 C ATOM 183 C SER A 14 -6.900 -23.215 1.187 1.00 0.00 C ATOM 184 O SER A 14 -7.210 -24.401 1.299 1.00 0.00 O ATOM 185 CB SER A 14 -8.528 -21.424 0.584 1.00 0.00 C ATOM 186 OG SER A 14 -9.430 -22.342 -0.022 1.00 0.00 O ATOM 0 H SER A 14 -6.133 -20.886 2.074 1.00 0.00 H new ATOM 0 HA SER A 14 -8.535 -22.567 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.069 -20.551 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.805 -21.068 -0.150 1.00 0.00 H new ATOM 0 HG SER A 14 -9.896 -21.902 -0.763 1.00 0.00 H new ATOM 192 N THR A 15 -5.781 -22.814 0.580 1.00 0.00 N ATOM 193 CA THR A 15 -4.834 -23.774 -0.002 1.00 0.00 C ATOM 194 C THR A 15 -3.617 -23.958 0.898 1.00 0.00 C ATOM 195 O THR A 15 -2.707 -24.719 0.571 1.00 0.00 O ATOM 196 CB THR A 15 -4.374 -23.285 -1.374 1.00 0.00 C ATOM 197 OG1 THR A 15 -3.735 -22.024 -1.236 1.00 0.00 O ATOM 198 CG2 THR A 15 -5.581 -23.148 -2.302 1.00 0.00 C ATOM 0 H THR A 15 -5.507 -21.837 0.478 1.00 0.00 H new ATOM 0 HA THR A 15 -5.344 -24.732 -0.101 1.00 0.00 H new ATOM 0 HB THR A 15 -3.673 -24.004 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.438 -21.710 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.250 -22.799 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.070 -24.116 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.285 -22.431 -1.880 1.00 0.00 H new ATOM 206 N ARG A 16 -3.607 -23.254 2.027 1.00 0.00 N ATOM 207 CA ARG A 16 -2.500 -23.339 2.980 1.00 0.00 C ATOM 208 C ARG A 16 -1.214 -22.789 2.371 1.00 0.00 C ATOM 209 O ARG A 16 -0.208 -22.609 3.058 1.00 0.00 O ATOM 210 CB ARG A 16 -2.296 -24.799 3.405 1.00 0.00 C ATOM 211 CG ARG A 16 -1.421 -24.872 4.656 1.00 0.00 C ATOM 212 CD ARG A 16 -1.240 -26.336 5.049 1.00 0.00 C ATOM 213 NE ARG A 16 -0.401 -26.440 6.240 1.00 0.00 N ATOM 214 CZ ARG A 16 0.927 -26.487 6.151 1.00 0.00 C ATOM 215 NH1 ARG A 16 1.508 -26.446 4.982 1.00 0.00 N ATOM 216 NH2 ARG A 16 1.649 -26.570 7.234 1.00 0.00 N ATOM 0 H ARG A 16 -4.353 -22.617 2.306 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.748 -22.737 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.261 -25.266 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.830 -25.359 2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.452 -24.410 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.884 -24.317 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.212 -26.792 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.785 -26.887 4.226 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.841 -26.477 7.159 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.944 -26.378 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.525 -26.482 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.196 -26.599 8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.666 -26.606 7.167 1.00 0.00 H new ATOM 230 N LYS A 17 -1.260 -22.515 1.079 1.00 0.00 N ATOM 231 CA LYS A 17 -0.101 -21.978 0.361 1.00 0.00 C ATOM 232 C LYS A 17 -0.159 -20.451 0.297 1.00 0.00 C ATOM 233 O LYS A 17 0.419 -19.765 1.141 1.00 0.00 O ATOM 234 CB LYS A 17 -0.063 -22.546 -1.059 1.00 0.00 C ATOM 235 CG LYS A 17 0.248 -24.046 -1.005 1.00 0.00 C ATOM 236 CD LYS A 17 0.258 -24.616 -2.426 1.00 0.00 C ATOM 237 CE LYS A 17 0.585 -26.110 -2.376 1.00 0.00 C ATOM 238 NZ LYS A 17 0.574 -26.668 -3.758 1.00 0.00 N ATOM 0 H LYS A 17 -2.087 -22.654 0.498 1.00 0.00 H new ATOM 0 HA LYS A 17 0.801 -22.270 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.020 -22.380 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.694 -22.028 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.214 -24.211 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.498 -24.562 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.712 -24.461 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.995 -24.092 -3.034 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.562 -26.264 -1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.144 -26.632 -1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.796 -27.683 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.367 -26.533 -4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.285 -26.177 -4.336 1.00 0.00 H new ATOM 252 N CYS A 18 -0.856 -19.928 -0.708 1.00 0.00 N ATOM 253 CA CYS A 18 -0.980 -18.482 -0.873 1.00 0.00 C ATOM 254 C CYS A 18 -2.131 -18.147 -1.819 1.00 0.00 C ATOM 255 O CYS A 18 -1.950 -18.080 -3.035 1.00 0.00 O ATOM 256 CB CYS A 18 0.324 -17.902 -1.431 1.00 0.00 C ATOM 257 SG CYS A 18 0.901 -18.903 -2.825 1.00 0.00 S ATOM 0 H CYS A 18 -1.341 -20.479 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.184 -18.042 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.165 -16.873 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.084 -17.878 -0.650 1.00 0.00 H new ATOM 262 N MET A 19 -3.317 -17.923 -1.249 1.00 0.00 N ATOM 263 CA MET A 19 -4.504 -17.577 -2.038 1.00 0.00 C ATOM 264 C MET A 19 -4.865 -16.114 -1.810 1.00 0.00 C ATOM 265 O MET A 19 -4.913 -15.648 -0.672 1.00 0.00 O ATOM 266 CB MET A 19 -5.681 -18.467 -1.630 1.00 0.00 C ATOM 267 CG MET A 19 -6.901 -18.157 -2.507 1.00 0.00 C ATOM 268 SD MET A 19 -8.293 -19.205 -1.997 1.00 0.00 S ATOM 269 CE MET A 19 -8.583 -20.044 -3.576 1.00 0.00 C ATOM 0 H MET A 19 -3.482 -17.975 -0.244 1.00 0.00 H new ATOM 0 HA MET A 19 -4.287 -17.735 -3.094 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.406 -19.517 -1.732 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.926 -18.302 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 19 -7.171 -17.105 -2.415 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.663 -18.334 -3.556 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.598 -20.441 -3.596 1.00 0.00 H new ATOM 0 HE2 MET A 19 -8.455 -19.335 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.871 -20.861 -3.690 1.00 0.00 H new ATOM 279 N ASP A 20 -5.112 -15.395 -2.895 1.00 0.00 N ATOM 280 CA ASP A 20 -5.460 -13.985 -2.798 1.00 0.00 C ATOM 281 C ASP A 20 -6.866 -13.811 -2.230 1.00 0.00 C ATOM 282 O ASP A 20 -7.653 -14.758 -2.180 1.00 0.00 O ATOM 283 CB ASP A 20 -5.374 -13.323 -4.172 1.00 0.00 C ATOM 284 CG ASP A 20 -5.503 -11.813 -4.022 1.00 0.00 C ATOM 285 OD1 ASP A 20 -5.254 -11.325 -2.932 1.00 0.00 O ATOM 286 OD2 ASP A 20 -5.845 -11.166 -4.998 1.00 0.00 O ATOM 0 H ASP A 20 -5.078 -15.761 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.750 -13.507 -2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.425 -13.571 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.164 -13.703 -4.820 1.00 0.00 H new ATOM 291 N LEU A 21 -7.166 -12.594 -1.793 1.00 0.00 N ATOM 292 CA LEU A 21 -8.471 -12.289 -1.214 1.00 0.00 C ATOM 293 C LEU A 21 -9.582 -12.414 -2.259 1.00 0.00 C ATOM 294 O LEU A 21 -10.748 -12.594 -1.910 1.00 0.00 O ATOM 295 CB LEU A 21 -8.459 -10.866 -0.629 1.00 0.00 C ATOM 296 CG LEU A 21 -7.804 -10.873 0.760 1.00 0.00 C ATOM 297 CD1 LEU A 21 -6.340 -11.306 0.634 1.00 0.00 C ATOM 298 CD2 LEU A 21 -7.871 -9.465 1.357 1.00 0.00 C ATOM 0 H LEU A 21 -6.525 -11.802 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.670 -13.009 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.914 -10.196 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.478 -10.485 -0.558 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.332 -11.571 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.876 -11.311 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.292 -12.307 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.809 -10.609 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.407 -9.466 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.341 -8.769 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.913 -9.157 1.446 1.00 0.00 H new ATOM 310 N LYS A 22 -9.221 -12.323 -3.535 1.00 0.00 N ATOM 311 CA LYS A 22 -10.203 -12.440 -4.603 1.00 0.00 C ATOM 312 C LYS A 22 -10.812 -13.841 -4.627 1.00 0.00 C ATOM 313 O LYS A 22 -12.007 -14.009 -4.867 1.00 0.00 O ATOM 314 CB LYS A 22 -9.541 -12.140 -5.960 1.00 0.00 C ATOM 315 CG LYS A 22 -10.609 -11.728 -6.989 1.00 0.00 C ATOM 316 CD LYS A 22 -10.873 -10.218 -6.885 1.00 0.00 C ATOM 317 CE LYS A 22 -12.205 -9.871 -7.547 1.00 0.00 C ATOM 318 NZ LYS A 22 -12.118 -10.123 -9.013 1.00 0.00 N ATOM 0 H LYS A 22 -8.263 -12.170 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.998 -11.717 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.807 -11.342 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.004 -13.020 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.275 -11.980 -7.995 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.531 -12.281 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.889 -9.915 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.065 -9.666 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.005 -10.470 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.453 -8.826 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.966 -9.745 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.273 -9.653 -9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.054 -11.146 -9.186 1.00 0.00 H new ATOM 332 N GLY A 23 -9.967 -14.848 -4.394 1.00 0.00 N ATOM 333 CA GLY A 23 -10.400 -16.248 -4.406 1.00 0.00 C ATOM 334 C GLY A 23 -9.701 -16.993 -5.535 1.00 0.00 C ATOM 335 O GLY A 23 -10.084 -18.105 -5.902 1.00 0.00 O ATOM 0 H GLY A 23 -8.975 -14.719 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.169 -16.718 -3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.481 -16.303 -4.536 1.00 0.00 H new ATOM 339 N ASN A 24 -8.676 -16.350 -6.091 1.00 0.00 N ATOM 340 CA ASN A 24 -7.905 -16.923 -7.197 1.00 0.00 C ATOM 341 C ASN A 24 -6.536 -17.396 -6.721 1.00 0.00 C ATOM 342 O ASN A 24 -5.890 -16.741 -5.904 1.00 0.00 O ATOM 343 CB ASN A 24 -7.731 -15.872 -8.295 1.00 0.00 C ATOM 344 CG ASN A 24 -9.093 -15.480 -8.859 1.00 0.00 C ATOM 345 OD1 ASN A 24 -9.233 -14.417 -9.464 1.00 0.00 O ATOM 346 ND2 ASN A 24 -10.114 -16.277 -8.695 1.00 0.00 N ATOM 0 H ASN A 24 -8.358 -15.428 -5.793 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.449 -17.783 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.228 -14.993 -7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.098 -16.266 -9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.028 -16.019 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.998 -17.158 -8.194 1.00 0.00 H new ATOM 353 N LYS A 25 -6.097 -18.538 -7.247 1.00 0.00 N ATOM 354 CA LYS A 25 -4.797 -19.099 -6.883 1.00 0.00 C ATOM 355 C LYS A 25 -3.719 -18.573 -7.824 1.00 0.00 C ATOM 356 O LYS A 25 -4.020 -18.075 -8.908 1.00 0.00 O ATOM 357 CB LYS A 25 -4.842 -20.624 -6.965 1.00 0.00 C ATOM 358 CG LYS A 25 -5.876 -21.159 -5.972 1.00 0.00 C ATOM 359 CD LYS A 25 -5.744 -22.679 -5.854 1.00 0.00 C ATOM 360 CE LYS A 25 -6.003 -23.334 -7.212 1.00 0.00 C ATOM 361 NZ LYS A 25 -6.297 -24.783 -7.013 1.00 0.00 N ATOM 0 H LYS A 25 -6.621 -19.092 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.562 -18.800 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.099 -20.937 -7.977 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.859 -21.040 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.730 -20.695 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.881 -20.897 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.746 -22.939 -5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.453 -23.058 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.841 -22.846 -7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.134 -23.213 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.474 -25.231 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.484 -25.242 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.138 -24.887 -6.411 1.00 0.00 H new ATOM 375 N HIS A 26 -2.458 -18.687 -7.408 1.00 0.00 N ATOM 376 CA HIS A 26 -1.342 -18.216 -8.230 1.00 0.00 C ATOM 377 C HIS A 26 -0.090 -19.071 -7.983 1.00 0.00 C ATOM 378 O HIS A 26 0.170 -19.466 -6.847 1.00 0.00 O ATOM 379 CB HIS A 26 -1.033 -16.752 -7.893 1.00 0.00 C ATOM 380 CG HIS A 26 -2.320 -15.997 -7.705 1.00 0.00 C ATOM 381 ND1 HIS A 26 -3.094 -15.579 -8.775 1.00 0.00 N ATOM 382 CD2 HIS A 26 -2.981 -15.577 -6.577 1.00 0.00 C ATOM 383 CE1 HIS A 26 -4.167 -14.939 -8.273 1.00 0.00 C ATOM 384 NE2 HIS A 26 -4.146 -14.908 -6.938 1.00 0.00 N ATOM 0 H HIS A 26 -2.184 -19.097 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.625 -18.301 -9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.431 -16.696 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.447 -16.300 -8.693 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -2.889 -15.729 -9.763 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.647 -15.741 -5.563 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.950 -14.504 -8.877 1.00 0.00 H new ATOM 393 N PRO A 27 0.695 -19.359 -9.002 1.00 0.00 N ATOM 394 CA PRO A 27 1.936 -20.175 -8.843 1.00 0.00 C ATOM 395 C PRO A 27 3.052 -19.375 -8.173 1.00 0.00 C ATOM 396 O PRO A 27 3.058 -18.147 -8.221 1.00 0.00 O ATOM 397 CB PRO A 27 2.297 -20.552 -10.284 1.00 0.00 C ATOM 398 CG PRO A 27 1.785 -19.419 -11.107 1.00 0.00 C ATOM 399 CD PRO A 27 0.505 -18.943 -10.410 1.00 0.00 C ATOM 0 HA PRO A 27 1.793 -21.044 -8.201 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.373 -20.675 -10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.834 -21.495 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.520 -18.616 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.578 -19.739 -12.128 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.381 -17.863 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.382 -19.401 -10.846 1.00 0.00 H new ATOM 407 N ILE A 28 3.994 -20.073 -7.548 1.00 0.00 N ATOM 408 CA ILE A 28 5.097 -19.391 -6.881 1.00 0.00 C ATOM 409 C ILE A 28 5.776 -18.432 -7.854 1.00 0.00 C ATOM 410 O ILE A 28 5.611 -18.553 -9.068 1.00 0.00 O ATOM 411 CB ILE A 28 6.129 -20.407 -6.368 1.00 0.00 C ATOM 412 CG1 ILE A 28 5.454 -21.429 -5.426 1.00 0.00 C ATOM 413 CG2 ILE A 28 7.255 -19.669 -5.635 1.00 0.00 C ATOM 414 CD1 ILE A 28 5.301 -20.867 -4.003 1.00 0.00 C ATOM 0 H ILE A 28 4.018 -21.091 -7.489 1.00 0.00 H new ATOM 0 HA ILE A 28 4.696 -18.834 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 28 6.549 -20.948 -7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.474 -21.697 -5.820 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.046 -22.344 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.987 -20.391 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.740 -18.974 -6.320 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.840 -19.117 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.823 -21.612 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.284 -20.624 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.687 -19.966 -4.031 1.00 0.00 H new ATOM 426 N ASN A 29 6.527 -17.480 -7.307 1.00 0.00 N ATOM 427 CA ASN A 29 7.233 -16.492 -8.121 1.00 0.00 C ATOM 428 C ASN A 29 6.261 -15.594 -8.883 1.00 0.00 C ATOM 429 O ASN A 29 6.675 -14.789 -9.717 1.00 0.00 O ATOM 430 CB ASN A 29 8.168 -17.187 -9.113 1.00 0.00 C ATOM 431 CG ASN A 29 9.104 -16.163 -9.738 1.00 0.00 C ATOM 432 OD1 ASN A 29 8.960 -15.826 -10.912 1.00 0.00 O ATOM 433 ND2 ASN A 29 10.057 -15.640 -9.018 1.00 0.00 N ATOM 0 H ASN A 29 6.663 -17.371 -6.302 1.00 0.00 H new ATOM 0 HA ASN A 29 7.817 -15.870 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.745 -17.959 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.586 -17.684 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.686 -14.949 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.174 -15.922 -8.045 1.00 0.00 H new ATOM 440 N SER A 30 4.969 -15.715 -8.581 1.00 0.00 N ATOM 441 CA SER A 30 3.951 -14.888 -9.234 1.00 0.00 C ATOM 442 C SER A 30 3.470 -13.809 -8.276 1.00 0.00 C ATOM 443 O SER A 30 3.455 -14.008 -7.062 1.00 0.00 O ATOM 444 CB SER A 30 2.763 -15.748 -9.672 1.00 0.00 C ATOM 445 OG SER A 30 1.894 -15.952 -8.566 1.00 0.00 O ATOM 0 H SER A 30 4.602 -16.373 -7.893 1.00 0.00 H new ATOM 0 HA SER A 30 4.394 -14.423 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.226 -15.259 -10.485 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.115 -16.706 -10.054 1.00 0.00 H new ATOM 0 HG SER A 30 1.946 -16.887 -8.278 1.00 0.00 H new ATOM 451 N GLU A 31 3.076 -12.665 -8.829 1.00 0.00 N ATOM 452 CA GLU A 31 2.588 -11.546 -8.023 1.00 0.00 C ATOM 453 C GLU A 31 1.154 -11.217 -8.415 1.00 0.00 C ATOM 454 O GLU A 31 0.764 -11.390 -9.570 1.00 0.00 O ATOM 455 CB GLU A 31 3.474 -10.315 -8.244 1.00 0.00 C ATOM 456 CG GLU A 31 4.895 -10.586 -7.723 1.00 0.00 C ATOM 457 CD GLU A 31 5.697 -11.375 -8.756 1.00 0.00 C ATOM 458 OE1 GLU A 31 5.120 -11.751 -9.764 1.00 0.00 O ATOM 459 OE2 GLU A 31 6.876 -11.586 -8.527 1.00 0.00 O ATOM 0 H GLU A 31 3.085 -12.487 -9.833 1.00 0.00 H new ATOM 0 HA GLU A 31 2.621 -11.827 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.508 -10.068 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.048 -9.454 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.396 -9.643 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.847 -11.143 -6.787 1.00 0.00 H new ATOM 466 N TRP A 32 0.367 -10.751 -7.449 1.00 0.00 N ATOM 467 CA TRP A 32 -1.032 -10.410 -7.703 1.00 0.00 C ATOM 468 C TRP A 32 -1.411 -9.127 -6.973 1.00 0.00 C ATOM 469 O TRP A 32 -0.882 -8.828 -5.903 1.00 0.00 O ATOM 470 CB TRP A 32 -1.931 -11.553 -7.227 1.00 0.00 C ATOM 471 CG TRP A 32 -1.764 -11.739 -5.750 1.00 0.00 C ATOM 472 CD1 TRP A 32 -2.567 -11.204 -4.801 1.00 0.00 C ATOM 473 CD2 TRP A 32 -0.748 -12.505 -5.039 1.00 0.00 C ATOM 474 NE1 TRP A 32 -2.110 -11.596 -3.553 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.989 -12.398 -3.647 1.00 0.00 C ATOM 476 CE3 TRP A 32 0.350 -13.272 -5.463 1.00 0.00 C ATOM 477 CZ2 TRP A 32 -0.168 -13.035 -2.710 1.00 0.00 C ATOM 478 CZ3 TRP A 32 1.177 -13.911 -4.526 1.00 0.00 C ATOM 479 CH2 TRP A 32 0.917 -13.791 -3.151 1.00 0.00 C ATOM 0 H TRP A 32 0.671 -10.601 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.166 -10.256 -8.774 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.972 -11.332 -7.461 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.675 -12.474 -7.751 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.424 -10.574 -4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.548 -11.325 -2.672 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.559 -13.371 -6.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.373 -12.942 -1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.018 -14.498 -4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.558 -14.284 -2.435 1.00 0.00 H new ATOM 490 N GLN A 33 -2.345 -8.379 -7.560 1.00 0.00 N ATOM 491 CA GLN A 33 -2.812 -7.125 -6.966 1.00 0.00 C ATOM 492 C GLN A 33 -4.202 -7.319 -6.375 1.00 0.00 C ATOM 493 O GLN A 33 -5.112 -7.806 -7.046 1.00 0.00 O ATOM 494 CB GLN A 33 -2.855 -6.025 -8.028 1.00 0.00 C ATOM 495 CG GLN A 33 -1.428 -5.665 -8.449 1.00 0.00 C ATOM 496 CD GLN A 33 -1.459 -4.598 -9.538 1.00 0.00 C ATOM 497 OE1 GLN A 33 -2.526 -4.082 -9.870 1.00 0.00 O ATOM 498 NE2 GLN A 33 -0.347 -4.236 -10.118 1.00 0.00 N ATOM 0 H GLN A 33 -2.793 -8.618 -8.445 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.121 -6.831 -6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.426 -6.362 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.362 -5.144 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.867 -5.302 -7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.912 -6.554 -8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.536 -4.665 -9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.361 -3.524 -10.848 1.00 0.00 H new ATOM 507 N THR A 34 -4.354 -6.954 -5.104 1.00 0.00 N ATOM 508 CA THR A 34 -5.631 -7.109 -4.406 1.00 0.00 C ATOM 509 C THR A 34 -6.053 -5.803 -3.745 1.00 0.00 C ATOM 510 O THR A 34 -5.260 -4.870 -3.626 1.00 0.00 O ATOM 511 CB THR A 34 -5.502 -8.190 -3.333 1.00 0.00 C ATOM 512 OG1 THR A 34 -6.710 -8.259 -2.588 1.00 0.00 O ATOM 513 CG2 THR A 34 -4.343 -7.845 -2.398 1.00 0.00 C ATOM 0 H THR A 34 -3.610 -6.549 -4.536 1.00 0.00 H new ATOM 0 HA THR A 34 -6.387 -7.394 -5.138 1.00 0.00 H new ATOM 0 HB THR A 34 -5.310 -9.153 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.514 -8.549 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.251 -8.616 -1.633 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.417 -7.790 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.533 -6.883 -1.923 1.00 0.00 H new ATOM 521 N ASP A 35 -7.311 -5.751 -3.320 1.00 0.00 N ATOM 522 CA ASP A 35 -7.847 -4.560 -2.670 1.00 0.00 C ATOM 523 C ASP A 35 -7.849 -3.377 -3.637 1.00 0.00 C ATOM 524 O ASP A 35 -8.207 -2.260 -3.265 1.00 0.00 O ATOM 525 CB ASP A 35 -7.014 -4.212 -1.435 1.00 0.00 C ATOM 526 CG ASP A 35 -7.777 -3.235 -0.546 1.00 0.00 C ATOM 527 OD1 ASP A 35 -8.876 -2.858 -0.919 1.00 0.00 O ATOM 528 OD2 ASP A 35 -7.251 -2.877 0.495 1.00 0.00 O ATOM 0 H ASP A 35 -7.977 -6.518 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.872 -4.769 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.782 -5.119 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.064 -3.773 -1.740 1.00 0.00 H new ATOM 533 N ASN A 36 -7.436 -3.635 -4.876 1.00 0.00 N ATOM 534 CA ASN A 36 -7.383 -2.591 -5.901 1.00 0.00 C ATOM 535 C ASN A 36 -6.489 -1.438 -5.455 1.00 0.00 C ATOM 536 O ASN A 36 -6.751 -0.276 -5.768 1.00 0.00 O ATOM 537 CB ASN A 36 -8.788 -2.072 -6.205 1.00 0.00 C ATOM 538 CG ASN A 36 -9.581 -3.139 -6.948 1.00 0.00 C ATOM 539 OD1 ASN A 36 -9.000 -4.079 -7.493 1.00 0.00 O ATOM 540 ND2 ASN A 36 -10.879 -3.052 -7.003 1.00 0.00 N ATOM 0 H ASN A 36 -7.134 -4.555 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.961 -3.027 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.297 -1.807 -5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.729 -1.165 -6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.417 -3.763 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.358 -2.273 -6.551 1.00 0.00 H new ATOM 547 N CYS A 37 -5.427 -1.773 -4.733 1.00 0.00 N ATOM 548 CA CYS A 37 -4.481 -0.770 -4.256 1.00 0.00 C ATOM 549 C CYS A 37 -3.466 -1.412 -3.308 1.00 0.00 C ATOM 550 O CYS A 37 -2.835 -0.727 -2.499 1.00 0.00 O ATOM 551 CB CYS A 37 -5.230 0.376 -3.548 1.00 0.00 C ATOM 552 SG CYS A 37 -5.353 1.800 -4.658 1.00 0.00 S ATOM 0 H CYS A 37 -5.199 -2.730 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.946 -0.357 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.226 0.045 -3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.705 0.658 -2.636 1.00 0.00 H new ATOM 557 N GLU A 38 -3.298 -2.727 -3.428 1.00 0.00 N ATOM 558 CA GLU A 38 -2.348 -3.465 -2.599 1.00 0.00 C ATOM 559 C GLU A 38 -1.714 -4.574 -3.438 1.00 0.00 C ATOM 560 O GLU A 38 -2.328 -5.059 -4.388 1.00 0.00 O ATOM 561 CB GLU A 38 -3.052 -4.079 -1.380 1.00 0.00 C ATOM 562 CG GLU A 38 -3.672 -2.984 -0.502 1.00 0.00 C ATOM 563 CD GLU A 38 -2.577 -2.117 0.103 1.00 0.00 C ATOM 564 OE1 GLU A 38 -1.562 -2.669 0.492 1.00 0.00 O ATOM 565 OE2 GLU A 38 -2.774 -0.914 0.183 1.00 0.00 O ATOM 0 H GLU A 38 -3.810 -3.305 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.580 -2.779 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.828 -4.769 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.338 -4.659 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.347 -2.369 -1.097 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.268 -3.436 0.291 1.00 0.00 H new ATOM 572 N THR A 39 -0.486 -4.967 -3.100 1.00 0.00 N ATOM 573 CA THR A 39 0.213 -6.019 -3.853 1.00 0.00 C ATOM 574 C THR A 39 0.849 -7.034 -2.909 1.00 0.00 C ATOM 575 O THR A 39 0.975 -6.785 -1.709 1.00 0.00 O ATOM 576 CB THR A 39 1.293 -5.387 -4.735 1.00 0.00 C ATOM 577 OG1 THR A 39 0.688 -4.458 -5.624 1.00 0.00 O ATOM 578 CG2 THR A 39 2.009 -6.473 -5.540 1.00 0.00 C ATOM 0 H THR A 39 0.044 -4.580 -2.319 1.00 0.00 H new ATOM 0 HA THR A 39 -0.514 -6.539 -4.477 1.00 0.00 H new ATOM 0 HB THR A 39 2.019 -4.874 -4.105 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.377 -4.050 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.776 -6.016 -6.165 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.473 -7.185 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.288 -6.993 -6.171 1.00 0.00 H new ATOM 586 N CYS A 40 1.249 -8.183 -3.455 1.00 0.00 N ATOM 587 CA CYS A 40 1.872 -9.223 -2.645 1.00 0.00 C ATOM 588 C CYS A 40 2.430 -10.347 -3.515 1.00 0.00 C ATOM 589 O CYS A 40 1.968 -10.572 -4.634 1.00 0.00 O ATOM 590 CB CYS A 40 0.856 -9.777 -1.636 1.00 0.00 C ATOM 591 SG CYS A 40 1.725 -10.451 -0.197 1.00 0.00 S ATOM 0 H CYS A 40 1.153 -8.413 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 40 2.708 -8.780 -2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.173 -8.987 -1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.252 -10.554 -2.104 1.00 0.00 H new ATOM 596 N THR A 41 3.441 -11.042 -2.985 1.00 0.00 N ATOM 597 CA THR A 41 4.091 -12.146 -3.701 1.00 0.00 C ATOM 598 C THR A 41 3.971 -13.438 -2.894 1.00 0.00 C ATOM 599 O THR A 41 3.827 -13.403 -1.673 1.00 0.00 O ATOM 600 CB THR A 41 5.574 -11.818 -3.916 1.00 0.00 C ATOM 601 OG1 THR A 41 5.691 -10.588 -4.619 1.00 0.00 O ATOM 602 CG2 THR A 41 6.236 -12.935 -4.726 1.00 0.00 C ATOM 0 H THR A 41 3.829 -10.859 -2.059 1.00 0.00 H new ATOM 0 HA THR A 41 3.601 -12.279 -4.665 1.00 0.00 H new ATOM 0 HB THR A 41 6.069 -11.732 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.638 -10.378 -4.755 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.289 -12.699 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.149 -13.877 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.742 -13.025 -5.693 1.00 0.00 H new ATOM 610 N CYS A 42 4.027 -14.579 -3.587 1.00 0.00 N ATOM 611 CA CYS A 42 3.917 -15.891 -2.934 1.00 0.00 C ATOM 612 C CYS A 42 5.239 -16.644 -3.015 1.00 0.00 C ATOM 613 O CYS A 42 5.853 -16.727 -4.079 1.00 0.00 O ATOM 614 CB CYS A 42 2.834 -16.730 -3.626 1.00 0.00 C ATOM 615 SG CYS A 42 2.857 -18.420 -2.977 1.00 0.00 S ATOM 0 H CYS A 42 4.148 -14.623 -4.599 1.00 0.00 H new ATOM 0 HA CYS A 42 3.656 -15.728 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.854 -16.281 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.003 -16.742 -4.703 1.00 0.00 H new ATOM 620 N TYR A 43 5.653 -17.225 -1.891 1.00 0.00 N ATOM 621 CA TYR A 43 6.882 -18.016 -1.831 1.00 0.00 C ATOM 622 C TYR A 43 6.539 -19.399 -1.298 1.00 0.00 C ATOM 623 O TYR A 43 5.429 -19.623 -0.817 1.00 0.00 O ATOM 624 CB TYR A 43 7.927 -17.362 -0.918 1.00 0.00 C ATOM 625 CG TYR A 43 8.372 -16.046 -1.509 1.00 0.00 C ATOM 626 CD1 TYR A 43 9.336 -16.028 -2.523 1.00 0.00 C ATOM 627 CD2 TYR A 43 7.826 -14.847 -1.038 1.00 0.00 C ATOM 628 CE1 TYR A 43 9.754 -14.809 -3.070 1.00 0.00 C ATOM 629 CE2 TYR A 43 8.244 -13.627 -1.584 1.00 0.00 C ATOM 630 CZ TYR A 43 9.208 -13.607 -2.599 1.00 0.00 C ATOM 631 OH TYR A 43 9.621 -12.405 -3.136 1.00 0.00 O ATOM 0 H TYR A 43 5.153 -17.163 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 43 7.308 -18.080 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.506 -17.201 0.075 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.784 -18.025 -0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.758 -16.955 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.083 -14.862 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.496 -14.795 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 43 7.822 -12.701 -1.222 1.00 0.00 H new ATOM 0 HH TYR A 43 9.143 -11.670 -2.698 1.00 0.00 H new ATOM 641 N GLU A 44 7.483 -20.326 -1.397 1.00 0.00 N ATOM 642 CA GLU A 44 7.263 -21.694 -0.936 1.00 0.00 C ATOM 643 C GLU A 44 6.407 -21.733 0.331 1.00 0.00 C ATOM 644 O GLU A 44 5.344 -22.355 0.352 1.00 0.00 O ATOM 645 CB GLU A 44 8.610 -22.358 -0.650 1.00 0.00 C ATOM 646 CG GLU A 44 9.377 -22.541 -1.962 1.00 0.00 C ATOM 647 CD GLU A 44 10.740 -23.163 -1.684 1.00 0.00 C ATOM 648 OE1 GLU A 44 10.998 -23.491 -0.537 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.506 -23.305 -2.623 1.00 0.00 O ATOM 0 H GLU A 44 8.408 -20.157 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 44 6.732 -22.230 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.190 -21.746 0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.457 -23.324 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.809 -23.178 -2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.501 -21.578 -2.458 1.00 0.00 H new ATOM 656 N THR A 45 6.880 -21.077 1.389 1.00 0.00 N ATOM 657 CA THR A 45 6.156 -21.059 2.662 1.00 0.00 C ATOM 658 C THR A 45 6.207 -19.675 3.305 1.00 0.00 C ATOM 659 O THR A 45 6.327 -19.558 4.525 1.00 0.00 O ATOM 660 CB THR A 45 6.762 -22.093 3.612 1.00 0.00 C ATOM 661 OG1 THR A 45 8.083 -21.703 3.956 1.00 0.00 O ATOM 662 CG2 THR A 45 6.792 -23.459 2.922 1.00 0.00 C ATOM 0 H THR A 45 7.755 -20.554 1.392 1.00 0.00 H new ATOM 0 HA THR A 45 5.112 -21.305 2.466 1.00 0.00 H new ATOM 0 HB THR A 45 6.158 -22.157 4.517 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.471 -22.365 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.224 -24.198 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.777 -23.756 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.397 -23.397 2.018 1.00 0.00 H new ATOM 670 N GLU A 46 6.105 -18.627 2.490 1.00 0.00 N ATOM 671 CA GLU A 46 6.132 -17.263 3.017 1.00 0.00 C ATOM 672 C GLU A 46 5.449 -16.299 2.048 1.00 0.00 C ATOM 673 O GLU A 46 5.462 -16.502 0.836 1.00 0.00 O ATOM 674 CB GLU A 46 7.580 -16.816 3.245 1.00 0.00 C ATOM 675 CG GLU A 46 7.606 -15.556 4.118 1.00 0.00 C ATOM 676 CD GLU A 46 7.199 -15.900 5.545 1.00 0.00 C ATOM 677 OE1 GLU A 46 7.049 -17.078 5.830 1.00 0.00 O ATOM 678 OE2 GLU A 46 7.041 -14.984 6.335 1.00 0.00 O ATOM 0 H GLU A 46 6.004 -18.693 1.477 1.00 0.00 H new ATOM 0 HA GLU A 46 5.594 -17.252 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.145 -17.614 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.063 -16.616 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.605 -15.120 4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.929 -14.807 3.709 1.00 0.00 H new ATOM 685 N ILE A 47 4.863 -15.242 2.595 1.00 0.00 N ATOM 686 CA ILE A 47 4.190 -14.221 1.788 1.00 0.00 C ATOM 687 C ILE A 47 4.632 -12.838 2.248 1.00 0.00 C ATOM 688 O ILE A 47 4.745 -12.578 3.446 1.00 0.00 O ATOM 689 CB ILE A 47 2.666 -14.358 1.908 1.00 0.00 C ATOM 690 CG1 ILE A 47 2.207 -15.678 1.253 1.00 0.00 C ATOM 691 CG2 ILE A 47 1.985 -13.182 1.197 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.826 -16.072 1.784 1.00 0.00 C ATOM 0 H ILE A 47 4.838 -15.065 3.599 1.00 0.00 H new ATOM 0 HA ILE A 47 4.463 -14.358 0.742 1.00 0.00 H new ATOM 0 HB ILE A 47 2.391 -14.359 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.170 -15.563 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.927 -16.469 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.903 -13.282 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.301 -12.246 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.266 -13.181 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.509 -17.004 1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.876 -16.206 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.108 -15.286 1.549 1.00 0.00 H new ATOM 704 N SER A 48 4.863 -11.949 1.286 1.00 0.00 N ATOM 705 CA SER A 48 5.276 -10.581 1.586 1.00 0.00 C ATOM 706 C SER A 48 4.352 -9.620 0.857 1.00 0.00 C ATOM 707 O SER A 48 4.278 -9.634 -0.372 1.00 0.00 O ATOM 708 CB SER A 48 6.722 -10.354 1.131 1.00 0.00 C ATOM 709 OG SER A 48 6.730 -9.886 -0.210 1.00 0.00 O ATOM 0 H SER A 48 4.771 -12.152 0.291 1.00 0.00 H new ATOM 0 HA SER A 48 5.219 -10.410 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.210 -9.629 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.288 -11.282 1.207 1.00 0.00 H new ATOM 0 HG SER A 48 5.938 -10.223 -0.679 1.00 0.00 H new ATOM 715 N CYS A 49 3.639 -8.795 1.619 1.00 0.00 N ATOM 716 CA CYS A 49 2.700 -7.838 1.030 1.00 0.00 C ATOM 717 C CYS A 49 3.168 -6.410 1.235 1.00 0.00 C ATOM 718 O CYS A 49 3.766 -6.070 2.255 1.00 0.00 O ATOM 719 CB CYS A 49 1.314 -8.020 1.648 1.00 0.00 C ATOM 720 SG CYS A 49 0.704 -9.714 1.389 1.00 0.00 S ATOM 0 H CYS A 49 3.691 -8.767 2.637 1.00 0.00 H new ATOM 0 HA CYS A 49 2.651 -8.030 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.356 -7.804 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.618 -7.307 1.206 1.00 0.00 H new ATOM 725 N CYS A 50 2.880 -5.581 0.237 1.00 0.00 N ATOM 726 CA CYS A 50 3.248 -4.175 0.269 1.00 0.00 C ATOM 727 C CYS A 50 2.227 -3.364 -0.515 1.00 0.00 C ATOM 728 O CYS A 50 1.756 -3.788 -1.571 1.00 0.00 O ATOM 729 CB CYS A 50 4.643 -3.982 -0.326 1.00 0.00 C ATOM 730 SG CYS A 50 5.884 -4.439 0.909 1.00 0.00 S ATOM 0 H CYS A 50 2.388 -5.865 -0.610 1.00 0.00 H new ATOM 0 HA CYS A 50 3.261 -3.831 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.759 -4.595 -1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.781 -2.945 -0.631 1.00 0.00 H new ATOM 735 N THR A 51 1.874 -2.210 0.021 1.00 0.00 N ATOM 736 CA THR A 51 0.889 -1.356 -0.619 1.00 0.00 C ATOM 737 C THR A 51 1.489 -0.583 -1.789 1.00 0.00 C ATOM 738 O THR A 51 2.708 -0.497 -1.936 1.00 0.00 O ATOM 739 CB THR A 51 0.310 -0.391 0.409 1.00 0.00 C ATOM 740 OG1 THR A 51 -0.689 0.411 -0.203 1.00 0.00 O ATOM 741 CG2 THR A 51 1.428 0.495 0.958 1.00 0.00 C ATOM 0 H THR A 51 2.253 -1.843 0.894 1.00 0.00 H new ATOM 0 HA THR A 51 0.096 -1.989 -1.018 1.00 0.00 H new ATOM 0 HB THR A 51 -0.138 -0.953 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.558 0.220 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.016 1.186 1.694 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.187 -0.128 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.879 1.060 0.142 1.00 0.00 H new ATOM 749 N LEU A 52 0.610 -0.038 -2.627 1.00 0.00 N ATOM 750 CA LEU A 52 1.030 0.719 -3.807 1.00 0.00 C ATOM 751 C LEU A 52 1.123 2.213 -3.496 1.00 0.00 C ATOM 752 O LEU A 52 1.734 2.975 -4.243 1.00 0.00 O ATOM 753 CB LEU A 52 0.005 0.496 -4.929 1.00 0.00 C ATOM 754 CG LEU A 52 0.151 -0.928 -5.511 1.00 0.00 C ATOM 755 CD1 LEU A 52 -1.171 -1.362 -6.150 1.00 0.00 C ATOM 756 CD2 LEU A 52 1.243 -0.954 -6.590 1.00 0.00 C ATOM 0 H LEU A 52 -0.401 -0.106 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 52 2.016 0.372 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.004 0.637 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.151 1.235 -5.717 1.00 0.00 H new ATOM 0 HG LEU A 52 0.420 -1.605 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.065 -2.367 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.958 -1.359 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.433 -0.670 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.335 -1.963 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.977 -0.267 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.194 -0.650 -6.153 1.00 0.00 H new ATOM 768 N VAL A 53 0.497 2.626 -2.400 1.00 0.00 N ATOM 769 CA VAL A 53 0.493 4.034 -2.011 1.00 0.00 C ATOM 770 C VAL A 53 1.820 4.444 -1.374 1.00 0.00 C ATOM 771 O VAL A 53 2.393 3.706 -0.572 1.00 0.00 O ATOM 772 CB VAL A 53 -0.654 4.296 -1.033 1.00 0.00 C ATOM 773 CG1 VAL A 53 -1.958 3.730 -1.611 1.00 0.00 C ATOM 774 CG2 VAL A 53 -0.361 3.611 0.307 1.00 0.00 C ATOM 0 H VAL A 53 -0.013 2.010 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 53 0.354 4.632 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.753 5.370 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.776 3.916 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.175 4.215 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.851 2.656 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.181 3.801 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.258 2.537 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.565 4.008 0.724 1.00 0.00 H new ATOM 784 N SER A 54 2.295 5.639 -1.735 1.00 0.00 N ATOM 785 CA SER A 54 3.545 6.168 -1.196 1.00 0.00 C ATOM 786 C SER A 54 3.277 6.967 0.080 1.00 0.00 C ATOM 787 O SER A 54 2.188 7.510 0.258 1.00 0.00 O ATOM 788 CB SER A 54 4.205 7.069 -2.239 1.00 0.00 C ATOM 789 OG SER A 54 3.653 8.374 -2.149 1.00 0.00 O ATOM 0 H SER A 54 1.830 6.257 -2.400 1.00 0.00 H new ATOM 0 HA SER A 54 4.209 5.337 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.282 7.105 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.048 6.663 -3.238 1.00 0.00 H new ATOM 0 HG SER A 54 4.377 9.033 -2.102 1.00 0.00 H new ATOM 795 N THR A 55 4.274 7.040 0.969 1.00 0.00 N ATOM 796 CA THR A 55 4.118 7.785 2.227 1.00 0.00 C ATOM 797 C THR A 55 4.912 9.099 2.192 1.00 0.00 C ATOM 798 O THR A 55 6.088 9.094 1.828 1.00 0.00 O ATOM 799 CB THR A 55 4.626 6.944 3.400 1.00 0.00 C ATOM 800 OG1 THR A 55 4.047 5.648 3.341 1.00 0.00 O ATOM 801 CG2 THR A 55 4.247 7.620 4.719 1.00 0.00 C ATOM 0 H THR A 55 5.186 6.600 0.846 1.00 0.00 H new ATOM 0 HA THR A 55 3.058 8.008 2.351 1.00 0.00 H new ATOM 0 HB THR A 55 5.711 6.857 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.374 5.109 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.610 7.019 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.698 8.611 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.163 7.712 4.782 1.00 0.00 H new ATOM 809 N PRO A 56 4.322 10.217 2.572 1.00 0.00 N ATOM 810 CA PRO A 56 5.046 11.518 2.588 1.00 0.00 C ATOM 811 C PRO A 56 5.950 11.628 3.809 1.00 0.00 C ATOM 812 O PRO A 56 5.544 11.296 4.922 1.00 0.00 O ATOM 813 CB PRO A 56 3.915 12.550 2.646 1.00 0.00 C ATOM 814 CG PRO A 56 2.826 11.862 3.404 1.00 0.00 C ATOM 815 CD PRO A 56 2.929 10.376 3.034 1.00 0.00 C ATOM 0 HA PRO A 56 5.701 11.651 1.727 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.235 13.463 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.585 12.835 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.946 12.006 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.849 12.264 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.717 9.736 3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.217 10.109 2.253 1.00 0.00 H new ATOM 823 N VAL A 57 7.171 12.092 3.598 1.00 0.00 N ATOM 824 CA VAL A 57 8.122 12.242 4.694 1.00 0.00 C ATOM 825 C VAL A 57 9.122 13.348 4.383 1.00 0.00 C ATOM 826 O VAL A 57 9.467 13.579 3.226 1.00 0.00 O ATOM 827 CB VAL A 57 8.852 10.918 4.920 1.00 0.00 C ATOM 828 CG1 VAL A 57 9.451 10.444 3.598 1.00 0.00 C ATOM 829 CG2 VAL A 57 9.966 11.111 5.952 1.00 0.00 C ATOM 0 H VAL A 57 7.528 12.371 2.684 1.00 0.00 H new ATOM 0 HA VAL A 57 7.581 12.514 5.600 1.00 0.00 H new ATOM 0 HB VAL A 57 8.149 10.172 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.973 9.500 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.654 10.303 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.154 11.191 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.484 10.165 6.110 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.674 11.856 5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.535 11.450 6.894 1.00 0.00 H new ATOM 839 N GLY A 58 9.587 14.031 5.422 1.00 0.00 N ATOM 840 CA GLY A 58 10.547 15.113 5.245 1.00 0.00 C ATOM 841 C GLY A 58 9.841 16.413 4.881 1.00 0.00 C ATOM 842 O GLY A 58 10.392 17.248 4.163 1.00 0.00 O ATOM 0 H GLY A 58 9.317 13.856 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.119 15.250 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.258 14.849 4.462 1.00 0.00 H new ATOM 846 N TYR A 59 8.617 16.581 5.381 1.00 0.00 N ATOM 847 CA TYR A 59 7.835 17.788 5.105 1.00 0.00 C ATOM 848 C TYR A 59 7.259 18.344 6.400 1.00 0.00 C ATOM 849 O TYR A 59 7.249 17.665 7.427 1.00 0.00 O ATOM 850 CB TYR A 59 6.703 17.477 4.121 1.00 0.00 C ATOM 851 CG TYR A 59 5.648 16.611 4.780 1.00 0.00 C ATOM 852 CD1 TYR A 59 5.904 15.259 5.034 1.00 0.00 C ATOM 853 CD2 TYR A 59 4.403 17.160 5.115 1.00 0.00 C ATOM 854 CE1 TYR A 59 4.916 14.459 5.622 1.00 0.00 C ATOM 855 CE2 TYR A 59 3.418 16.363 5.705 1.00 0.00 C ATOM 856 CZ TYR A 59 3.674 15.011 5.956 1.00 0.00 C ATOM 857 OH TYR A 59 2.701 14.221 6.536 1.00 0.00 O ATOM 0 H TYR A 59 8.146 15.900 5.977 1.00 0.00 H new ATOM 0 HA TYR A 59 8.492 18.534 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.252 18.406 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.105 16.968 3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.862 14.833 4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.204 18.203 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.113 13.415 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.461 16.790 5.967 1.00 0.00 H new ATOM 0 HH TYR A 59 1.900 14.760 6.705 1.00 0.00 H new ATOM 867 N ASP A 60 6.793 19.585 6.350 1.00 0.00 N ATOM 868 CA ASP A 60 6.234 20.223 7.537 1.00 0.00 C ATOM 869 C ASP A 60 4.850 19.669 7.842 1.00 0.00 C ATOM 870 O ASP A 60 3.858 20.071 7.234 1.00 0.00 O ATOM 871 CB ASP A 60 6.141 21.734 7.328 1.00 0.00 C ATOM 872 CG ASP A 60 5.925 22.438 8.666 1.00 0.00 C ATOM 873 OD1 ASP A 60 5.518 21.773 9.603 1.00 0.00 O ATOM 874 OD2 ASP A 60 6.172 23.631 8.731 1.00 0.00 O ATOM 0 H ASP A 60 6.790 20.165 5.511 1.00 0.00 H new ATOM 0 HA ASP A 60 6.893 20.013 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.054 22.101 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.319 21.965 6.650 1.00 0.00 H new ATOM 879 N LYS A 61 4.797 18.738 8.784 1.00 0.00 N ATOM 880 CA LYS A 61 3.535 18.120 9.169 1.00 0.00 C ATOM 881 C LYS A 61 2.659 19.103 9.938 1.00 0.00 C ATOM 882 O LYS A 61 1.486 18.831 10.190 1.00 0.00 O ATOM 883 CB LYS A 61 3.803 16.905 10.060 1.00 0.00 C ATOM 884 CG LYS A 61 4.539 15.826 9.266 1.00 0.00 C ATOM 885 CD LYS A 61 4.863 14.644 10.181 1.00 0.00 C ATOM 886 CE LYS A 61 5.647 13.589 9.394 1.00 0.00 C ATOM 887 NZ LYS A 61 4.763 12.985 8.357 1.00 0.00 N ATOM 0 H LYS A 61 5.610 18.394 9.295 1.00 0.00 H new ATOM 0 HA LYS A 61 3.018 17.816 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.398 17.202 10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.862 16.509 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.924 15.493 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.457 16.234 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.446 14.982 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.943 14.211 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.519 14.044 8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.015 12.816 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.212 12.129 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.848 12.735 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.611 13.669 7.589 1.00 0.00 H new ATOM 901 N ASP A 62 3.237 20.238 10.331 1.00 0.00 N ATOM 902 CA ASP A 62 2.494 21.240 11.098 1.00 0.00 C ATOM 903 C ASP A 62 1.770 22.231 10.187 1.00 0.00 C ATOM 904 O ASP A 62 0.673 22.689 10.507 1.00 0.00 O ATOM 905 CB ASP A 62 3.458 22.000 12.011 1.00 0.00 C ATOM 906 CG ASP A 62 4.273 21.015 12.844 1.00 0.00 C ATOM 907 OD1 ASP A 62 3.669 20.182 13.498 1.00 0.00 O ATOM 908 OD2 ASP A 62 5.489 21.110 12.813 1.00 0.00 O ATOM 0 H ASP A 62 4.207 20.486 10.134 1.00 0.00 H new ATOM 0 HA ASP A 62 1.742 20.718 11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.124 22.622 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.900 22.669 12.666 1.00 0.00 H new ATOM 913 N ASN A 63 2.394 22.572 9.058 1.00 0.00 N ATOM 914 CA ASN A 63 1.800 23.530 8.119 1.00 0.00 C ATOM 915 C ASN A 63 1.102 22.816 6.964 1.00 0.00 C ATOM 916 O ASN A 63 0.287 23.414 6.260 1.00 0.00 O ATOM 917 CB ASN A 63 2.890 24.447 7.560 1.00 0.00 C ATOM 918 CG ASN A 63 3.335 25.437 8.629 1.00 0.00 C ATOM 919 OD1 ASN A 63 2.593 25.707 9.573 1.00 0.00 O ATOM 920 ND2 ASN A 63 4.514 25.991 8.542 1.00 0.00 N ATOM 0 H ASN A 63 3.301 22.204 8.772 1.00 0.00 H new ATOM 0 HA ASN A 63 1.058 24.116 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.741 23.853 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.514 24.984 6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.822 26.649 9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.127 25.765 7.759 1.00 0.00 H new ATOM 927 N CYS A 64 1.416 21.536 6.776 1.00 0.00 N ATOM 928 CA CYS A 64 0.809 20.749 5.699 1.00 0.00 C ATOM 929 C CYS A 64 0.256 19.440 6.244 1.00 0.00 C ATOM 930 O CYS A 64 0.778 18.881 7.207 1.00 0.00 O ATOM 931 CB CYS A 64 1.843 20.438 4.616 1.00 0.00 C ATOM 932 SG CYS A 64 2.418 21.973 3.848 1.00 0.00 S ATOM 0 H CYS A 64 2.083 21.022 7.351 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.002 21.337 5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 64 2.686 19.901 5.051 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.405 19.786 3.860 1.00 0.00 H new ATOM 937 N GLN A 65 -0.801 18.950 5.605 1.00 0.00 N ATOM 938 CA GLN A 65 -1.433 17.690 6.003 1.00 0.00 C ATOM 939 C GLN A 65 -1.569 16.766 4.797 1.00 0.00 C ATOM 940 O GLN A 65 -1.854 17.216 3.687 1.00 0.00 O ATOM 941 CB GLN A 65 -2.812 17.965 6.602 1.00 0.00 C ATOM 942 CG GLN A 65 -3.586 18.910 5.684 1.00 0.00 C ATOM 943 CD GLN A 65 -4.956 19.207 6.283 1.00 0.00 C ATOM 944 OE1 GLN A 65 -5.063 19.497 7.474 1.00 0.00 O ATOM 945 NE2 GLN A 65 -6.016 19.152 5.525 1.00 0.00 N ATOM 0 H GLN A 65 -1.242 19.406 4.806 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.807 17.205 6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.360 17.031 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.708 18.407 7.593 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.029 19.837 5.549 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.700 18.461 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.925 18.911 4.538 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.936 19.350 5.919 1.00 0.00 H new ATOM 954 N ARG A 66 -1.350 15.476 5.022 1.00 0.00 N ATOM 955 CA ARG A 66 -1.435 14.490 3.948 1.00 0.00 C ATOM 956 C ARG A 66 -2.892 14.118 3.661 1.00 0.00 C ATOM 957 O ARG A 66 -3.686 13.922 4.579 1.00 0.00 O ATOM 958 CB ARG A 66 -0.643 13.240 4.349 1.00 0.00 C ATOM 959 CG ARG A 66 -1.210 12.679 5.657 1.00 0.00 C ATOM 960 CD ARG A 66 -0.395 11.463 6.096 1.00 0.00 C ATOM 961 NE ARG A 66 -0.932 10.929 7.341 1.00 0.00 N ATOM 962 CZ ARG A 66 -0.430 9.830 7.890 1.00 0.00 C ATOM 963 NH1 ARG A 66 0.559 9.206 7.311 1.00 0.00 N ATOM 964 NH2 ARG A 66 -0.925 9.373 9.008 1.00 0.00 N ATOM 0 H ARG A 66 -1.113 15.088 5.935 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.012 14.920 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.704 12.489 3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.411 13.488 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.185 13.444 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.254 12.398 5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.421 10.697 5.321 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.649 11.744 6.231 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.707 11.408 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.946 9.563 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.946 8.361 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.698 9.861 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.539 8.528 9.429 1.00 0.00 H new ATOM 978 N ILE A 67 -3.241 14.039 2.373 1.00 0.00 N ATOM 979 CA ILE A 67 -4.610 13.709 1.960 1.00 0.00 C ATOM 980 C ILE A 67 -4.630 12.397 1.177 1.00 0.00 C ATOM 981 O ILE A 67 -3.799 12.175 0.295 1.00 0.00 O ATOM 982 CB ILE A 67 -5.160 14.836 1.091 1.00 0.00 C ATOM 983 CG1 ILE A 67 -5.006 16.179 1.828 1.00 0.00 C ATOM 984 CG2 ILE A 67 -6.637 14.577 0.772 1.00 0.00 C ATOM 985 CD1 ILE A 67 -5.684 16.139 3.204 1.00 0.00 C ATOM 0 H ILE A 67 -2.596 14.199 1.599 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.231 13.593 2.848 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.601 14.875 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.948 16.412 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.442 16.978 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.022 15.386 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.734 13.632 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.207 14.529 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.558 17.101 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.747 15.931 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.229 15.356 3.811 1.00 0.00 H new ATOM 997 N PHE A 68 -5.572 11.522 1.524 1.00 0.00 N ATOM 998 CA PHE A 68 -5.683 10.217 0.871 1.00 0.00 C ATOM 999 C PHE A 68 -6.634 10.255 -0.327 1.00 0.00 C ATOM 1000 O PHE A 68 -7.822 10.546 -0.184 1.00 0.00 O ATOM 1001 CB PHE A 68 -6.190 9.193 1.893 1.00 0.00 C ATOM 1002 CG PHE A 68 -6.175 7.805 1.291 1.00 0.00 C ATOM 1003 CD1 PHE A 68 -4.964 7.236 0.879 1.00 0.00 C ATOM 1004 CD2 PHE A 68 -7.367 7.077 1.155 1.00 0.00 C ATOM 1005 CE1 PHE A 68 -4.942 5.951 0.335 1.00 0.00 C ATOM 1006 CE2 PHE A 68 -7.342 5.791 0.609 1.00 0.00 C ATOM 1007 CZ PHE A 68 -6.130 5.226 0.199 1.00 0.00 C ATOM 0 H PHE A 68 -6.267 11.691 2.251 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.697 9.937 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.564 9.218 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.202 9.451 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.044 7.793 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.304 7.511 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.006 5.516 0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.260 5.232 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.112 4.232 -0.222 1.00 0.00 H new ATOM 1017 N LYS A 69 -6.092 9.941 -1.510 1.00 0.00 N ATOM 1018 CA LYS A 69 -6.882 9.920 -2.753 1.00 0.00 C ATOM 1019 C LYS A 69 -6.866 8.514 -3.367 1.00 0.00 C ATOM 1020 O LYS A 69 -5.857 8.089 -3.930 1.00 0.00 O ATOM 1021 CB LYS A 69 -6.290 10.933 -3.770 1.00 0.00 C ATOM 1022 CG LYS A 69 -7.217 12.148 -3.959 1.00 0.00 C ATOM 1023 CD LYS A 69 -7.177 13.035 -2.715 1.00 0.00 C ATOM 1024 CE LYS A 69 -8.014 14.289 -2.963 1.00 0.00 C ATOM 1025 NZ LYS A 69 -7.962 15.168 -1.765 1.00 0.00 N ATOM 0 H LYS A 69 -5.109 9.697 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.910 10.197 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.313 11.270 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.135 10.439 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.907 12.720 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.237 11.812 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.563 12.490 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.148 13.310 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.637 14.823 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.046 14.013 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.432 16.071 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.448 14.703 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.970 15.346 -1.507 1.00 0.00 H new ATOM 1039 N LYS A 70 -7.981 7.803 -3.261 1.00 0.00 N ATOM 1040 CA LYS A 70 -8.077 6.453 -3.818 1.00 0.00 C ATOM 1041 C LYS A 70 -7.956 6.462 -5.338 1.00 0.00 C ATOM 1042 O LYS A 70 -7.318 5.589 -5.926 1.00 0.00 O ATOM 1043 CB LYS A 70 -9.425 5.841 -3.449 1.00 0.00 C ATOM 1044 CG LYS A 70 -9.459 5.556 -1.956 1.00 0.00 C ATOM 1045 CD LYS A 70 -10.838 5.018 -1.575 1.00 0.00 C ATOM 1046 CE LYS A 70 -10.841 4.593 -0.106 1.00 0.00 C ATOM 1047 NZ LYS A 70 -10.584 5.781 0.756 1.00 0.00 N ATOM 0 H LYS A 70 -8.828 8.132 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.257 5.868 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.232 6.522 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.584 4.920 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.688 4.831 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.243 6.466 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.596 5.783 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.095 4.170 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.800 4.144 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.078 3.834 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.849 5.562 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.574 6.026 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.149 6.585 0.416 1.00 0.00 H new ATOM 1061 N GLU A 71 -8.617 7.422 -5.968 1.00 0.00 N ATOM 1062 CA GLU A 71 -8.627 7.502 -7.423 1.00 0.00 C ATOM 1063 C GLU A 71 -7.218 7.472 -8.003 1.00 0.00 C ATOM 1064 O GLU A 71 -7.026 7.070 -9.150 1.00 0.00 O ATOM 1065 CB GLU A 71 -9.328 8.785 -7.871 1.00 0.00 C ATOM 1066 CG GLU A 71 -9.485 8.783 -9.394 1.00 0.00 C ATOM 1067 CD GLU A 71 -10.227 10.038 -9.846 1.00 0.00 C ATOM 1068 OE1 GLU A 71 -10.356 10.947 -9.041 1.00 0.00 O ATOM 1069 OE2 GLU A 71 -10.655 10.071 -10.987 1.00 0.00 O ATOM 0 H GLU A 71 -9.151 8.153 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.166 6.630 -7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.306 8.862 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.751 9.655 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.505 8.740 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.031 7.894 -9.710 1.00 0.00 H new ATOM 1076 N ASP A 72 -6.231 7.902 -7.215 1.00 0.00 N ATOM 1077 CA ASP A 72 -4.839 7.922 -7.678 1.00 0.00 C ATOM 1078 C ASP A 72 -3.955 7.070 -6.772 1.00 0.00 C ATOM 1079 O ASP A 72 -2.733 7.066 -6.913 1.00 0.00 O ATOM 1080 CB ASP A 72 -4.325 9.361 -7.682 1.00 0.00 C ATOM 1081 CG ASP A 72 -5.089 10.182 -8.715 1.00 0.00 C ATOM 1082 OD1 ASP A 72 -5.672 9.585 -9.605 1.00 0.00 O ATOM 1083 OD2 ASP A 72 -5.082 11.398 -8.601 1.00 0.00 O ATOM 0 H ASP A 72 -6.366 8.239 -6.262 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.802 7.511 -8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.446 9.802 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.259 9.375 -7.910 1.00 0.00 H new ATOM 1088 N CYS A 73 -4.582 6.344 -5.849 1.00 0.00 N ATOM 1089 CA CYS A 73 -3.852 5.483 -4.919 1.00 0.00 C ATOM 1090 C CYS A 73 -2.520 6.115 -4.506 1.00 0.00 C ATOM 1091 O CYS A 73 -1.447 5.593 -4.814 1.00 0.00 O ATOM 1092 CB CYS A 73 -3.623 4.106 -5.562 1.00 0.00 C ATOM 1093 SG CYS A 73 -3.660 2.831 -4.279 1.00 0.00 S ATOM 0 H CYS A 73 -5.594 6.334 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.450 5.362 -4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.392 3.909 -6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.664 4.089 -6.080 1.00 0.00 H new ATOM 1098 N LYS A 74 -2.597 7.243 -3.808 1.00 0.00 N ATOM 1099 CA LYS A 74 -1.391 7.927 -3.363 1.00 0.00 C ATOM 1100 C LYS A 74 -1.696 8.951 -2.280 1.00 0.00 C ATOM 1101 O LYS A 74 -2.845 9.350 -2.087 1.00 0.00 O ATOM 1102 CB LYS A 74 -0.714 8.627 -4.549 1.00 0.00 C ATOM 1103 CG LYS A 74 -1.681 9.633 -5.198 1.00 0.00 C ATOM 1104 CD LYS A 74 -0.898 10.588 -6.106 1.00 0.00 C ATOM 1105 CE LYS A 74 -0.178 9.792 -7.194 1.00 0.00 C ATOM 1106 NZ LYS A 74 0.287 10.714 -8.268 1.00 0.00 N ATOM 0 H LYS A 74 -3.470 7.697 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.721 7.175 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.185 9.142 -4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.400 7.887 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.438 9.104 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.206 10.197 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.576 11.311 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.175 11.154 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.671 9.259 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.848 9.041 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.776 10.169 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.531 11.203 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.941 11.415 -7.865 1.00 0.00 H new ATOM 1120 N TYR A 75 -0.646 9.401 -1.603 1.00 0.00 N ATOM 1121 CA TYR A 75 -0.778 10.415 -0.562 1.00 0.00 C ATOM 1122 C TYR A 75 -0.165 11.718 -1.058 1.00 0.00 C ATOM 1123 O TYR A 75 0.969 11.739 -1.536 1.00 0.00 O ATOM 1124 CB TYR A 75 -0.059 9.963 0.719 1.00 0.00 C ATOM 1125 CG TYR A 75 -0.953 9.057 1.534 1.00 0.00 C ATOM 1126 CD1 TYR A 75 -1.916 9.619 2.378 1.00 0.00 C ATOM 1127 CD2 TYR A 75 -0.807 7.667 1.466 1.00 0.00 C ATOM 1128 CE1 TYR A 75 -2.735 8.795 3.154 1.00 0.00 C ATOM 1129 CE2 TYR A 75 -1.625 6.840 2.248 1.00 0.00 C ATOM 1130 CZ TYR A 75 -2.588 7.405 3.092 1.00 0.00 C ATOM 1131 OH TYR A 75 -3.393 6.594 3.863 1.00 0.00 O ATOM 0 H TYR A 75 0.310 9.079 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.834 10.562 -0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.862 9.440 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.224 10.833 1.311 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.027 10.692 2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.065 7.232 0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.481 9.231 3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.512 5.767 2.199 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.163 5.655 3.701 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.918 12.803 -0.937 1.00 0.00 N ATOM 1142 CA ILE A 76 -0.448 14.117 -1.362 1.00 0.00 C ATOM 1143 C ILE A 76 -0.558 15.088 -0.200 1.00 0.00 C ATOM 1144 O ILE A 76 -1.530 15.059 0.553 1.00 0.00 O ATOM 1145 CB ILE A 76 -1.275 14.604 -2.558 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -2.757 14.692 -2.167 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -1.116 13.626 -3.727 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -3.568 15.215 -3.354 1.00 0.00 C ATOM 0 H ILE A 76 -1.860 12.800 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 76 0.595 14.054 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.921 15.591 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.124 13.710 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.879 15.354 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.705 13.974 -4.576 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.066 13.569 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.464 12.638 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.620 15.277 -3.076 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.207 16.205 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.455 14.536 -4.199 1.00 0.00 H new ATOM 1160 N VAL A 77 0.449 15.937 -0.049 1.00 0.00 N ATOM 1161 CA VAL A 77 0.469 16.914 1.040 1.00 0.00 C ATOM 1162 C VAL A 77 0.308 18.318 0.479 1.00 0.00 C ATOM 1163 O VAL A 77 1.008 18.716 -0.453 1.00 0.00 O ATOM 1164 CB VAL A 77 1.798 16.803 1.809 1.00 0.00 C ATOM 1165 CG1 VAL A 77 1.714 15.688 2.857 1.00 0.00 C ATOM 1166 CG2 VAL A 77 2.923 16.479 0.828 1.00 0.00 C ATOM 0 H VAL A 77 1.263 15.972 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.357 16.710 1.722 1.00 0.00 H new ATOM 0 HB VAL A 77 1.996 17.751 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.661 15.621 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.913 15.911 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.509 14.739 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.866 16.400 1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.710 15.533 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.997 17.273 0.084 1.00 0.00 H new ATOM 1176 N VAL A 78 -0.624 19.063 1.063 1.00 0.00 N ATOM 1177 CA VAL A 78 -0.894 20.437 0.637 1.00 0.00 C ATOM 1178 C VAL A 78 -0.929 21.360 1.848 1.00 0.00 C ATOM 1179 O VAL A 78 -1.084 20.904 2.980 1.00 0.00 O ATOM 1180 CB VAL A 78 -2.242 20.515 -0.092 1.00 0.00 C ATOM 1181 CG1 VAL A 78 -2.201 19.699 -1.398 1.00 0.00 C ATOM 1182 CG2 VAL A 78 -3.343 19.972 0.824 1.00 0.00 C ATOM 0 H VAL A 78 -1.208 18.740 1.835 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.099 20.749 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.449 21.555 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.166 19.767 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.424 20.096 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.984 18.656 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.303 20.025 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.125 18.935 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.385 20.569 1.735 1.00 0.00 H new ATOM 1192 N GLU A 79 -0.791 22.657 1.604 1.00 0.00 N ATOM 1193 CA GLU A 79 -0.819 23.629 2.685 1.00 0.00 C ATOM 1194 C GLU A 79 -2.194 23.640 3.338 1.00 0.00 C ATOM 1195 O GLU A 79 -3.211 23.450 2.669 1.00 0.00 O ATOM 1196 CB GLU A 79 -0.500 25.023 2.135 1.00 0.00 C ATOM 1197 CG GLU A 79 0.926 25.040 1.578 1.00 0.00 C ATOM 1198 CD GLU A 79 1.933 24.857 2.707 1.00 0.00 C ATOM 1199 OE1 GLU A 79 1.576 25.120 3.843 1.00 0.00 O ATOM 1200 OE2 GLU A 79 3.051 24.459 2.419 1.00 0.00 O ATOM 0 H GLU A 79 -0.660 23.056 0.675 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.072 23.354 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.211 25.288 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.602 25.769 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.046 24.246 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.112 25.983 1.064 1.00 0.00 H new ATOM 1207 N LYS A 80 -2.232 23.885 4.642 1.00 0.00 N ATOM 1208 CA LYS A 80 -3.495 23.944 5.358 1.00 0.00 C ATOM 1209 C LYS A 80 -4.259 25.208 4.975 1.00 0.00 C ATOM 1210 O LYS A 80 -5.472 25.175 4.764 1.00 0.00 O ATOM 1211 CB LYS A 80 -3.216 23.917 6.854 1.00 0.00 C ATOM 1212 CG LYS A 80 -2.709 22.525 7.236 1.00 0.00 C ATOM 1213 CD LYS A 80 -2.193 22.557 8.669 1.00 0.00 C ATOM 1214 CE LYS A 80 -1.707 21.168 9.080 1.00 0.00 C ATOM 1215 NZ LYS A 80 -2.874 20.247 9.195 1.00 0.00 N ATOM 0 H LYS A 80 -1.407 24.045 5.220 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.111 23.085 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.475 24.673 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.122 24.155 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.512 21.794 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.914 22.215 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.379 23.277 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.984 22.889 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.000 20.786 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.178 21.223 10.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.548 19.310 9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.549 20.627 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.340 20.160 8.269 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.533 26.319 4.885 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.139 27.595 4.523 1.00 0.00 C ATOM 1231 C LYS A 81 -4.707 27.545 3.108 1.00 0.00 C ATOM 1232 O LYS A 81 -5.795 28.059 2.844 1.00 0.00 O ATOM 1233 CB LYS A 81 -3.093 28.712 4.613 1.00 0.00 C ATOM 1234 CG LYS A 81 -2.712 28.941 6.079 1.00 0.00 C ATOM 1235 CD LYS A 81 -1.724 30.112 6.194 1.00 0.00 C ATOM 1236 CE LYS A 81 -0.342 29.706 5.668 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.668 30.713 6.114 1.00 0.00 N ATOM 0 H LYS A 81 -2.529 26.361 5.057 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.953 27.796 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.209 28.444 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.490 29.631 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.606 29.151 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -2.265 28.037 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.097 30.966 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.645 30.427 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.075 28.716 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.357 29.646 4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.608 30.442 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.413 31.649 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.687 30.749 7.153 1.00 0.00 H new ATOM 1251 N ASP A 82 -3.956 26.925 2.196 1.00 0.00 N ATOM 1252 CA ASP A 82 -4.373 26.803 0.797 1.00 0.00 C ATOM 1253 C ASP A 82 -4.177 25.360 0.315 1.00 0.00 C ATOM 1254 O ASP A 82 -3.118 25.022 -0.214 1.00 0.00 O ATOM 1255 CB ASP A 82 -3.531 27.744 -0.072 1.00 0.00 C ATOM 1256 CG ASP A 82 -3.530 29.145 0.529 1.00 0.00 C ATOM 1257 OD1 ASP A 82 -2.703 29.400 1.390 1.00 0.00 O ATOM 1258 OD2 ASP A 82 -4.353 29.946 0.117 1.00 0.00 O ATOM 0 H ASP A 82 -3.053 26.498 2.402 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.427 27.070 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.510 27.369 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.932 27.774 -1.085 1.00 0.00 H new ATOM 1263 N PRO A 83 -5.159 24.508 0.493 1.00 0.00 N ATOM 1264 CA PRO A 83 -5.071 23.075 0.071 1.00 0.00 C ATOM 1265 C PRO A 83 -4.800 22.918 -1.430 1.00 0.00 C ATOM 1266 O PRO A 83 -4.421 21.840 -1.889 1.00 0.00 O ATOM 1267 CB PRO A 83 -6.446 22.491 0.449 1.00 0.00 C ATOM 1268 CG PRO A 83 -6.996 23.422 1.480 1.00 0.00 C ATOM 1269 CD PRO A 83 -6.459 24.804 1.124 1.00 0.00 C ATOM 0 HA PRO A 83 -4.239 22.564 0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.102 22.433 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.349 21.479 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.086 23.413 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.681 23.127 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.126 25.332 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.344 25.431 2.008 1.00 0.00 H new ATOM 1277 N LYS A 84 -4.980 23.996 -2.185 1.00 0.00 N ATOM 1278 CA LYS A 84 -4.732 23.961 -3.622 1.00 0.00 C ATOM 1279 C LYS A 84 -3.244 23.779 -3.916 1.00 0.00 C ATOM 1280 O LYS A 84 -2.865 23.057 -4.838 1.00 0.00 O ATOM 1281 CB LYS A 84 -5.228 25.257 -4.269 1.00 0.00 C ATOM 1282 CG LYS A 84 -6.755 25.313 -4.188 1.00 0.00 C ATOM 1283 CD LYS A 84 -7.262 26.660 -4.719 1.00 0.00 C ATOM 1284 CE LYS A 84 -7.218 26.685 -6.252 1.00 0.00 C ATOM 1285 NZ LYS A 84 -7.983 27.866 -6.746 1.00 0.00 N ATOM 0 H LYS A 84 -5.294 24.899 -1.830 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.274 23.113 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.794 26.119 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.906 25.304 -5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.188 24.498 -4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.077 25.175 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.282 26.832 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.651 27.469 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.185 26.735 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.644 25.766 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.956 27.887 -7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.970 27.798 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.557 28.737 -6.371 1.00 0.00 H new ATOM 1299 N LYS A 85 -2.408 24.459 -3.130 1.00 0.00 N ATOM 1300 CA LYS A 85 -0.960 24.395 -3.314 1.00 0.00 C ATOM 1301 C LYS A 85 -0.373 23.165 -2.633 1.00 0.00 C ATOM 1302 O LYS A 85 -0.739 22.836 -1.506 1.00 0.00 O ATOM 1303 CB LYS A 85 -0.308 25.650 -2.735 1.00 0.00 C ATOM 1304 CG LYS A 85 1.185 25.658 -3.070 1.00 0.00 C ATOM 1305 CD LYS A 85 1.805 26.968 -2.583 1.00 0.00 C ATOM 1306 CE LYS A 85 3.294 26.999 -2.943 1.00 0.00 C ATOM 1307 NZ LYS A 85 4.032 26.009 -2.107 1.00 0.00 N ATOM 0 H LYS A 85 -2.709 25.059 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.759 24.330 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.786 26.541 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.448 25.679 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.680 24.810 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.329 25.552 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.293 27.816 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.680 27.062 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.428 26.769 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.697 27.999 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.054 26.191 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.730 26.098 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.828 25.047 -2.447 1.00 0.00 H new ATOM 1321 N THR A 86 0.539 22.491 -3.326 1.00 0.00 N ATOM 1322 CA THR A 86 1.173 21.298 -2.778 1.00 0.00 C ATOM 1323 C THR A 86 2.278 21.671 -1.794 1.00 0.00 C ATOM 1324 O THR A 86 2.763 22.804 -1.788 1.00 0.00 O ATOM 1325 CB THR A 86 1.761 20.458 -3.914 1.00 0.00 C ATOM 1326 OG1 THR A 86 2.764 21.206 -4.586 1.00 0.00 O ATOM 1327 CG2 THR A 86 0.653 20.082 -4.901 1.00 0.00 C ATOM 0 H THR A 86 0.854 22.748 -4.261 1.00 0.00 H new ATOM 0 HA THR A 86 0.416 20.721 -2.246 1.00 0.00 H new ATOM 0 HB THR A 86 2.201 19.549 -3.503 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.142 20.668 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.073 19.484 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.114 19.506 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.210 20.989 -5.313 1.00 0.00 H new ATOM 1335 N CYS A 87 2.675 20.706 -0.962 1.00 0.00 N ATOM 1336 CA CYS A 87 3.731 20.921 0.033 1.00 0.00 C ATOM 1337 C CYS A 87 5.020 20.215 -0.396 1.00 0.00 C ATOM 1338 O CYS A 87 4.980 19.122 -0.962 1.00 0.00 O ATOM 1339 CB CYS A 87 3.266 20.395 1.403 1.00 0.00 C ATOM 1340 SG CYS A 87 3.998 21.392 2.727 1.00 0.00 S ATOM 0 H CYS A 87 2.281 19.765 -0.957 1.00 0.00 H new ATOM 0 HA CYS A 87 3.934 21.989 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.178 20.432 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.556 19.351 1.519 1.00 0.00 H new ATOM 1345 N SER A 88 6.160 20.847 -0.127 1.00 0.00 N ATOM 1346 CA SER A 88 7.449 20.268 -0.495 1.00 0.00 C ATOM 1347 C SER A 88 7.763 19.051 0.370 1.00 0.00 C ATOM 1348 O SER A 88 7.489 19.041 1.570 1.00 0.00 O ATOM 1349 CB SER A 88 8.557 21.307 -0.335 1.00 0.00 C ATOM 1350 OG SER A 88 9.807 20.719 -0.674 1.00 0.00 O ATOM 0 H SER A 88 6.218 21.752 0.340 1.00 0.00 H new ATOM 0 HA SER A 88 7.394 19.953 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.361 22.166 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.581 21.674 0.691 1.00 0.00 H new ATOM 0 HG SER A 88 10.519 21.384 -0.574 1.00 0.00 H new ATOM 1356 N VAL A 89 8.340 18.021 -0.253 1.00 0.00 N ATOM 1357 CA VAL A 89 8.694 16.788 0.456 1.00 0.00 C ATOM 1358 C VAL A 89 10.114 16.356 0.085 1.00 0.00 C ATOM 1359 O VAL A 89 10.481 16.360 -1.089 1.00 0.00 O ATOM 1360 CB VAL A 89 7.697 15.684 0.089 1.00 0.00 C ATOM 1361 CG1 VAL A 89 7.764 14.551 1.119 1.00 0.00 C ATOM 1362 CG2 VAL A 89 6.283 16.274 0.068 1.00 0.00 C ATOM 0 H VAL A 89 8.572 18.016 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 89 8.654 16.968 1.530 1.00 0.00 H new ATOM 0 HB VAL A 89 7.947 15.283 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.052 13.771 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.771 14.133 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.518 14.942 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.567 15.494 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.041 16.674 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.233 17.074 -0.671 1.00 0.00 H new ATOM 1372 N SER A 90 10.902 15.976 1.087 1.00 0.00 N ATOM 1373 CA SER A 90 12.273 15.537 0.842 1.00 0.00 C ATOM 1374 C SER A 90 12.295 14.236 0.055 1.00 0.00 C ATOM 1375 O SER A 90 13.153 14.034 -0.806 1.00 0.00 O ATOM 1376 CB SER A 90 13.006 15.319 2.163 1.00 0.00 C ATOM 1377 OG SER A 90 12.856 16.465 2.985 1.00 0.00 O ATOM 0 H SER A 90 10.619 15.963 2.067 1.00 0.00 H new ATOM 0 HA SER A 90 12.770 16.317 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.608 14.440 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.063 15.128 1.977 1.00 0.00 H new ATOM 0 HG SER A 90 11.939 16.504 3.328 1.00 0.00 H new ATOM 1383 N GLU A 91 11.353 13.347 0.363 1.00 0.00 N ATOM 1384 CA GLU A 91 11.292 12.059 -0.322 1.00 0.00 C ATOM 1385 C GLU A 91 10.029 11.283 0.040 1.00 0.00 C ATOM 1386 O GLU A 91 9.316 11.632 0.982 1.00 0.00 O ATOM 1387 CB GLU A 91 12.528 11.231 0.044 1.00 0.00 C ATOM 1388 CG GLU A 91 12.486 10.862 1.529 1.00 0.00 C ATOM 1389 CD GLU A 91 13.786 10.174 1.928 1.00 0.00 C ATOM 1390 OE1 GLU A 91 14.344 9.477 1.097 1.00 0.00 O ATOM 1391 OE2 GLU A 91 14.203 10.353 3.060 1.00 0.00 O ATOM 0 H GLU A 91 10.633 13.491 1.071 1.00 0.00 H new ATOM 0 HA GLU A 91 11.268 12.248 -1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.564 10.327 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.434 11.797 -0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.339 11.758 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.640 10.203 1.725 1.00 0.00 H new ATOM 1398 N TRP A 92 9.769 10.215 -0.718 1.00 0.00 N ATOM 1399 CA TRP A 92 8.600 9.357 -0.490 1.00 0.00 C ATOM 1400 C TRP A 92 9.049 7.913 -0.265 1.00 0.00 C ATOM 1401 O TRP A 92 10.063 7.478 -0.811 1.00 0.00 O ATOM 1402 CB TRP A 92 7.670 9.408 -1.707 1.00 0.00 C ATOM 1403 CG TRP A 92 7.149 10.796 -1.883 1.00 0.00 C ATOM 1404 CD1 TRP A 92 7.822 11.815 -2.467 1.00 0.00 C ATOM 1405 CD2 TRP A 92 5.853 11.331 -1.497 1.00 0.00 C ATOM 1406 NE1 TRP A 92 7.020 12.945 -2.454 1.00 0.00 N ATOM 1407 CE2 TRP A 92 5.796 12.695 -1.867 1.00 0.00 C ATOM 1408 CE3 TRP A 92 4.732 10.768 -0.862 1.00 0.00 C ATOM 1409 CZ2 TRP A 92 4.665 13.472 -1.619 1.00 0.00 C ATOM 1410 CZ3 TRP A 92 3.592 11.545 -0.610 1.00 0.00 C ATOM 1411 CH2 TRP A 92 3.561 12.896 -0.986 1.00 0.00 C ATOM 0 H TRP A 92 10.355 9.921 -1.500 1.00 0.00 H new ATOM 0 HA TRP A 92 8.069 9.716 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 92 8.208 9.095 -2.602 1.00 0.00 H new ATOM 0 HB3 TRP A 92 6.842 8.712 -1.573 1.00 0.00 H new ATOM 0 HD1 TRP A 92 8.820 11.757 -2.876 1.00 0.00 H new ATOM 0 HE1 TRP A 92 7.300 13.850 -2.832 1.00 0.00 H new ATOM 0 HE3 TRP A 92 4.749 9.729 -0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 4.643 14.511 -1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 2.735 11.102 -0.125 1.00 0.00 H new ATOM 0 HH2 TRP A 92 2.683 13.492 -0.786 1.00 0.00 H new ATOM 1422 N ILE A 93 8.290 7.173 0.544 1.00 0.00 N ATOM 1423 CA ILE A 93 8.625 5.773 0.833 1.00 0.00 C ATOM 1424 C ILE A 93 7.705 4.836 0.056 1.00 0.00 C ATOM 1425 O ILE A 93 6.482 4.954 0.122 1.00 0.00 O ATOM 1426 CB ILE A 93 8.477 5.491 2.328 1.00 0.00 C ATOM 1427 CG1 ILE A 93 9.361 6.456 3.119 1.00 0.00 C ATOM 1428 CG2 ILE A 93 8.906 4.051 2.620 1.00 0.00 C ATOM 1429 CD1 ILE A 93 9.015 6.364 4.607 1.00 0.00 C ATOM 0 H ILE A 93 7.447 7.512 1.008 1.00 0.00 H new ATOM 0 HA ILE A 93 9.658 5.601 0.530 1.00 0.00 H new ATOM 0 HB ILE A 93 7.436 5.627 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.412 6.213 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.214 7.476 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.801 3.849 3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 93 8.277 3.362 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.947 3.915 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.645 7.052 5.170 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.968 6.628 4.754 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.185 5.346 4.958 1.00 0.00 H new ATOM 1441 N ILE A 94 8.305 3.905 -0.679 1.00 0.00 N ATOM 1442 CA ILE A 94 7.531 2.952 -1.468 1.00 0.00 C ATOM 1443 C ILE A 94 8.427 1.823 -1.968 1.00 0.00 C ATOM 1444 O ILE A 94 9.509 2.118 -2.449 1.00 0.00 O ATOM 1445 CB ILE A 94 6.884 3.673 -2.655 1.00 0.00 C ATOM 1446 CG1 ILE A 94 5.965 2.709 -3.427 1.00 0.00 C ATOM 1447 CG2 ILE A 94 7.976 4.189 -3.594 1.00 0.00 C ATOM 1448 CD1 ILE A 94 4.784 2.271 -2.548 1.00 0.00 C ATOM 1449 OXT ILE A 94 8.015 0.678 -1.867 1.00 0.00 O ATOM 0 H ILE A 94 9.316 3.790 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 94 6.752 2.522 -0.838 1.00 0.00 H new ATOM 0 HB ILE A 94 6.291 4.508 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.594 3.195 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.532 1.835 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.517 4.702 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.621 4.883 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.569 3.350 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.145 1.590 -3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.160 1.765 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.207 3.147 -2.250 1.00 0.00 H new TER 1461 ILE A 94