USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 443 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 2 GLN : amide:sc= -0.869 K(o=-1,f=-9.2!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.162 X(o=-1,f=-1.4) USER MOD Single : A 9 SER OG : rot 65:sc= 0.0584 USER MOD Single : A 12 LYS NZ :NH3+ 149:sc= -0.417 (180deg=-0.502) USER MOD Single : A 15 ASN : amide:sc= -0.854 X(o=-0.85,f=-0.42) USER MOD Single : A 16 GLN : amide:sc= -0.622 K(o=-0.62,f=-1.4) USER MOD Single : A 17 TYR OH : rot -80:sc= -3.27! USER MOD Single : A 20 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-0.84) USER MOD Single : A 21 SER OG : rot 140:sc= -0.685 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 57:sc= 0.153 USER MOD Single : A 38 ASN : amide:sc=-0.00905 K(o=-0.009,f=-1.2) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.49) USER MOD Single : A 57 SER OG : rot -68:sc= 0.738 USER MOD Single : A 60 GLN : amide:sc= 0.126 K(o=0.13,f=-1.7!) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= -0.17 (180deg=-0.777) USER MOD Single : A 66 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.0094) USER MOD Single : A 67 ASN : amide:sc= -2.25! C(o=-2.2!,f=-2.3!) USER MOD Single : A 68 SER OG : rot -35:sc= 1.03 USER MOD Single : A 70 THR OG1 : rot 76:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.836 -1.651 -3.087 1.00 0.00 N ATOM 12 CA GLN A 2 1.871 -3.020 -3.587 1.00 0.00 C ATOM 13 C GLN A 2 3.268 -3.385 -4.079 1.00 0.00 C ATOM 14 O GLN A 2 3.841 -2.694 -4.921 1.00 0.00 O ATOM 15 CB GLN A 2 0.856 -3.199 -4.718 1.00 0.00 C ATOM 16 CG GLN A 2 0.098 -4.515 -4.653 1.00 0.00 C ATOM 17 CD GLN A 2 0.993 -5.716 -4.881 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.698 -6.161 -3.975 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.971 -6.250 -6.097 1.00 0.00 N ATOM 0 HA GLN A 2 1.610 -3.687 -2.765 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.142 -2.376 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.375 -3.135 -5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.383 -4.605 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.695 -4.510 -5.401 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.372 -5.850 -6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.553 -7.060 -6.309 1.00 0.00 H new ATOM 28 N VAL A 3 3.811 -4.476 -3.547 1.00 0.00 N ATOM 29 CA VAL A 3 5.140 -4.933 -3.933 1.00 0.00 C ATOM 30 C VAL A 3 5.170 -6.446 -4.115 1.00 0.00 C ATOM 31 O VAL A 3 4.823 -7.198 -3.205 1.00 0.00 O ATOM 32 CB VAL A 3 6.197 -4.533 -2.886 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.559 -5.096 -3.259 1.00 0.00 C ATOM 34 CG2 VAL A 3 6.258 -3.019 -2.743 1.00 0.00 C ATOM 0 H VAL A 3 3.351 -5.059 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 3 5.377 -4.451 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 3 5.908 -4.955 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.292 -4.803 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.503 -6.184 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.860 -4.706 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.010 -2.754 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.523 -2.573 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.285 -2.644 -2.425 1.00 0.00 H new ATOM 44 N ASN A 4 5.587 -6.887 -5.298 1.00 0.00 N ATOM 45 CA ASN A 4 5.662 -8.311 -5.600 1.00 0.00 C ATOM 46 C ASN A 4 7.096 -8.725 -5.918 1.00 0.00 C ATOM 47 O ASN A 4 7.621 -8.409 -6.986 1.00 0.00 O ATOM 48 CB ASN A 4 4.748 -8.653 -6.778 1.00 0.00 C ATOM 49 CG ASN A 4 4.703 -7.546 -7.815 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.883 -6.632 -7.728 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.586 -7.626 -8.803 1.00 0.00 N ATOM 0 H ASN A 4 5.878 -6.278 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 4 5.330 -8.861 -4.720 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.094 -9.574 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.740 -8.843 -6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.603 -6.911 -9.531 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.247 -8.402 -8.834 1.00 0.00 H new ATOM 58 N ILE A 5 7.722 -9.434 -4.984 1.00 0.00 N ATOM 59 CA ILE A 5 9.093 -9.892 -5.166 1.00 0.00 C ATOM 60 C ILE A 5 9.167 -11.415 -5.174 1.00 0.00 C ATOM 61 O ILE A 5 8.579 -12.080 -4.322 1.00 0.00 O ATOM 62 CB ILE A 5 10.019 -9.350 -4.060 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.990 -7.821 -4.045 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.439 -9.857 -4.263 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.498 -7.220 -2.754 1.00 0.00 C ATOM 0 H ILE A 5 7.301 -9.703 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 5 9.429 -9.509 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 5 9.660 -9.711 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.592 -7.446 -4.873 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.968 -7.483 -4.216 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.081 -9.466 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.445 -10.946 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.810 -9.523 -5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.449 -6.133 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.881 -7.566 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.531 -7.528 -2.591 1.00 0.00 H new ATOM 77 N ALA A 6 9.896 -11.962 -6.142 1.00 0.00 N ATOM 78 CA ALA A 6 10.051 -13.406 -6.259 1.00 0.00 C ATOM 79 C ALA A 6 11.186 -13.910 -5.374 1.00 0.00 C ATOM 80 O ALA A 6 12.284 -13.354 -5.354 1.00 0.00 O ATOM 81 CB ALA A 6 10.297 -13.795 -7.709 1.00 0.00 C ATOM 0 H ALA A 6 10.388 -11.426 -6.856 1.00 0.00 H new ATOM 0 HA ALA A 6 9.127 -13.874 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.411 -14.877 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.452 -13.478 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.205 -13.310 -8.067 1.00 0.00 H new ATOM 87 N PRO A 7 10.917 -14.989 -4.623 1.00 0.00 N ATOM 88 CA PRO A 7 11.904 -15.591 -3.722 1.00 0.00 C ATOM 89 C PRO A 7 13.036 -16.278 -4.478 1.00 0.00 C ATOM 90 O PRO A 7 13.233 -16.043 -5.669 1.00 0.00 O ATOM 91 CB PRO A 7 11.086 -16.619 -2.936 1.00 0.00 C ATOM 92 CG PRO A 7 9.945 -16.959 -3.831 1.00 0.00 C ATOM 93 CD PRO A 7 9.630 -15.704 -4.597 1.00 0.00 C ATOM 0 HA PRO A 7 12.392 -14.845 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.681 -17.501 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.737 -16.207 -1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.208 -17.773 -4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.082 -17.291 -3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.273 -15.926 -5.603 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.854 -15.117 -4.106 1.00 0.00 H new ATOM 101 N GLY A 8 13.779 -17.129 -3.777 1.00 0.00 N ATOM 102 CA GLY A 8 14.883 -17.837 -4.399 1.00 0.00 C ATOM 103 C GLY A 8 16.231 -17.252 -4.025 1.00 0.00 C ATOM 104 O GLY A 8 17.262 -17.662 -4.558 1.00 0.00 O ATOM 0 H GLY A 8 13.636 -17.341 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.851 -18.886 -4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.765 -17.807 -5.482 1.00 0.00 H new ATOM 108 N SER A 9 16.223 -16.290 -3.108 1.00 0.00 N ATOM 109 CA SER A 9 17.454 -15.644 -2.668 1.00 0.00 C ATOM 110 C SER A 9 17.160 -14.563 -1.632 1.00 0.00 C ATOM 111 O SER A 9 16.548 -13.540 -1.941 1.00 0.00 O ATOM 112 CB SER A 9 18.190 -15.034 -3.862 1.00 0.00 C ATOM 113 OG SER A 9 19.428 -15.687 -4.086 1.00 0.00 O ATOM 0 H SER A 9 15.378 -15.941 -2.655 1.00 0.00 H new ATOM 0 HA SER A 9 18.088 -16.402 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.568 -15.110 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.362 -13.973 -3.683 1.00 0.00 H new ATOM 0 HG SER A 9 19.265 -16.620 -4.337 1.00 0.00 H new ATOM 119 N LEU A 10 17.599 -14.798 -0.400 1.00 0.00 N ATOM 120 CA LEU A 10 17.384 -13.846 0.683 1.00 0.00 C ATOM 121 C LEU A 10 18.080 -12.521 0.390 1.00 0.00 C ATOM 122 O LEU A 10 17.525 -11.449 0.634 1.00 0.00 O ATOM 123 CB LEU A 10 17.896 -14.422 2.005 1.00 0.00 C ATOM 124 CG LEU A 10 17.513 -13.650 3.267 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.500 -14.574 4.475 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.469 -12.488 3.493 1.00 0.00 C ATOM 0 H LEU A 10 18.106 -15.640 -0.127 1.00 0.00 H new ATOM 0 HA LEU A 10 16.313 -13.663 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.525 -15.443 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.983 -14.481 1.955 1.00 0.00 H new ATOM 0 HG LEU A 10 16.509 -13.247 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.225 -14.007 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.775 -15.372 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.491 -15.007 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.181 -11.950 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.484 -12.869 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.428 -11.812 2.639 1.00 0.00 H new ATOM 138 N ASP A 11 19.297 -12.601 -0.136 1.00 0.00 N ATOM 139 CA ASP A 11 20.068 -11.409 -0.467 1.00 0.00 C ATOM 140 C ASP A 11 19.296 -10.513 -1.431 1.00 0.00 C ATOM 141 O ASP A 11 19.140 -9.315 -1.192 1.00 0.00 O ATOM 142 CB ASP A 11 21.414 -11.799 -1.080 1.00 0.00 C ATOM 143 CG ASP A 11 22.029 -10.674 -1.890 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.956 -9.512 -1.440 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.582 -10.957 -2.973 1.00 0.00 O ATOM 0 H ASP A 11 19.771 -13.480 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 11 20.245 -10.854 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 11 22.102 -12.089 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.280 -12.672 -1.719 1.00 0.00 H new ATOM 150 N LYS A 12 18.816 -11.101 -2.521 1.00 0.00 N ATOM 151 CA LYS A 12 18.061 -10.357 -3.523 1.00 0.00 C ATOM 152 C LYS A 12 16.722 -9.893 -2.959 1.00 0.00 C ATOM 153 O LYS A 12 16.327 -8.742 -3.142 1.00 0.00 O ATOM 154 CB LYS A 12 17.831 -11.222 -4.764 1.00 0.00 C ATOM 155 CG LYS A 12 16.383 -11.262 -5.218 1.00 0.00 C ATOM 156 CD LYS A 12 16.239 -11.953 -6.564 1.00 0.00 C ATOM 157 CE LYS A 12 16.609 -13.425 -6.477 1.00 0.00 C ATOM 158 NZ LYS A 12 15.531 -14.232 -5.841 1.00 0.00 N ATOM 0 H LYS A 12 18.936 -12.091 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 12 18.643 -9.479 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.448 -10.844 -5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.166 -12.238 -4.555 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.782 -11.784 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.994 -10.246 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.212 -11.855 -6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.876 -11.459 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.808 -13.809 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.530 -13.535 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.536 -15.193 -6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.693 -14.281 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.609 -13.787 -6.025 1.00 0.00 H new ATOM 172 N ALA A 13 16.028 -10.795 -2.273 1.00 0.00 N ATOM 173 CA ALA A 13 14.736 -10.476 -1.680 1.00 0.00 C ATOM 174 C ALA A 13 14.829 -9.240 -0.791 1.00 0.00 C ATOM 175 O ALA A 13 13.860 -8.494 -0.645 1.00 0.00 O ATOM 176 CB ALA A 13 14.213 -11.663 -0.884 1.00 0.00 C ATOM 0 H ALA A 13 16.340 -11.753 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 13 14.038 -10.258 -2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.247 -11.411 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.099 -12.522 -1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.918 -11.908 -0.090 1.00 0.00 H new ATOM 182 N LEU A 14 16.000 -9.030 -0.200 1.00 0.00 N ATOM 183 CA LEU A 14 16.219 -7.884 0.675 1.00 0.00 C ATOM 184 C LEU A 14 16.323 -6.594 -0.132 1.00 0.00 C ATOM 185 O LEU A 14 15.583 -5.641 0.105 1.00 0.00 O ATOM 186 CB LEU A 14 17.490 -8.085 1.502 1.00 0.00 C ATOM 187 CG LEU A 14 18.251 -6.815 1.884 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.378 -5.904 2.732 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.535 -7.164 2.622 1.00 0.00 C ATOM 0 H LEU A 14 16.812 -9.638 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 14 15.364 -7.803 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.224 -8.614 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.164 -8.734 0.943 1.00 0.00 H new ATOM 0 HG LEU A 14 18.514 -6.284 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.937 -5.005 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.487 -5.626 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.083 -6.426 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.063 -6.248 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.294 -7.718 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.169 -7.776 1.980 1.00 0.00 H new ATOM 201 N ASN A 15 17.246 -6.573 -1.088 1.00 0.00 N ATOM 202 CA ASN A 15 17.446 -5.401 -1.932 1.00 0.00 C ATOM 203 C ASN A 15 16.177 -5.069 -2.712 1.00 0.00 C ATOM 204 O ASN A 15 15.898 -3.905 -2.995 1.00 0.00 O ATOM 205 CB ASN A 15 18.607 -5.636 -2.901 1.00 0.00 C ATOM 206 CG ASN A 15 18.134 -5.878 -4.321 1.00 0.00 C ATOM 207 OD1 ASN A 15 18.135 -4.969 -5.151 1.00 0.00 O ATOM 208 ND2 ASN A 15 17.727 -7.109 -4.607 1.00 0.00 N ATOM 0 H ASN A 15 17.867 -7.354 -1.297 1.00 0.00 H new ATOM 0 HA ASN A 15 17.686 -4.556 -1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.271 -4.772 -2.884 1.00 0.00 H new ATOM 0 HB3 ASN A 15 19.190 -6.493 -2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.398 -7.332 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.743 -7.832 -3.887 1.00 0.00 H new ATOM 215 N GLN A 16 15.414 -6.102 -3.055 1.00 0.00 N ATOM 216 CA GLN A 16 14.175 -5.920 -3.802 1.00 0.00 C ATOM 217 C GLN A 16 13.199 -5.037 -3.031 1.00 0.00 C ATOM 218 O GLN A 16 12.745 -4.009 -3.534 1.00 0.00 O ATOM 219 CB GLN A 16 13.530 -7.275 -4.099 1.00 0.00 C ATOM 220 CG GLN A 16 14.296 -8.103 -5.118 1.00 0.00 C ATOM 221 CD GLN A 16 13.644 -8.093 -6.487 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.887 -7.181 -6.820 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.936 -9.110 -7.289 1.00 0.00 N ATOM 0 H GLN A 16 15.632 -7.072 -2.828 1.00 0.00 H new ATOM 0 HA GLN A 16 14.417 -5.427 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.449 -7.841 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.516 -7.113 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.313 -7.720 -5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.371 -9.131 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.569 -9.844 -6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.528 -9.157 -8.222 1.00 0.00 H new ATOM 232 N TYR A 17 12.879 -5.446 -1.808 1.00 0.00 N ATOM 233 CA TYR A 17 11.954 -4.694 -0.968 1.00 0.00 C ATOM 234 C TYR A 17 12.612 -3.425 -0.434 1.00 0.00 C ATOM 235 O TYR A 17 11.955 -2.400 -0.254 1.00 0.00 O ATOM 236 CB TYR A 17 11.470 -5.559 0.196 1.00 0.00 C ATOM 237 CG TYR A 17 12.296 -5.401 1.453 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.032 -4.380 2.357 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.340 -6.273 1.736 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.785 -4.231 3.506 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.097 -6.133 2.883 1.00 0.00 C ATOM 242 CZ TYR A 17 13.816 -5.110 3.764 1.00 0.00 C ATOM 243 OH TYR A 17 14.567 -4.966 4.908 1.00 0.00 O ATOM 0 H TYR A 17 13.246 -6.294 -1.376 1.00 0.00 H new ATOM 0 HA TYR A 17 11.098 -4.409 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.433 -5.307 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.485 -6.605 -0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.224 -3.691 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.564 -7.074 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.567 -3.431 4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.904 -6.821 3.089 1.00 0.00 H new ATOM 0 HH TYR A 17 15.234 -4.261 4.775 1.00 0.00 H new ATOM 253 N ALA A 18 13.915 -3.502 -0.183 1.00 0.00 N ATOM 254 CA ALA A 18 14.664 -2.361 0.327 1.00 0.00 C ATOM 255 C ALA A 18 14.588 -1.180 -0.635 1.00 0.00 C ATOM 256 O ALA A 18 14.469 -0.030 -0.212 1.00 0.00 O ATOM 257 CB ALA A 18 16.113 -2.749 0.576 1.00 0.00 C ATOM 0 H ALA A 18 14.474 -4.344 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 18 14.214 -2.056 1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.660 -1.887 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.153 -3.556 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.566 -3.083 -0.358 1.00 0.00 H new ATOM 263 N ALA A 19 14.659 -1.472 -1.929 1.00 0.00 N ATOM 264 CA ALA A 19 14.597 -0.434 -2.951 1.00 0.00 C ATOM 265 C ALA A 19 13.165 0.049 -3.157 1.00 0.00 C ATOM 266 O ALA A 19 12.937 1.169 -3.615 1.00 0.00 O ATOM 267 CB ALA A 19 15.176 -0.947 -4.261 1.00 0.00 C ATOM 0 H ALA A 19 14.760 -2.419 -2.295 1.00 0.00 H new ATOM 0 HA ALA A 19 15.193 0.412 -2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.123 -0.161 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.216 -1.236 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.604 -1.812 -4.598 1.00 0.00 H new ATOM 273 N HIS A 20 12.203 -0.803 -2.816 1.00 0.00 N ATOM 274 CA HIS A 20 10.793 -0.462 -2.964 1.00 0.00 C ATOM 275 C HIS A 20 10.352 0.511 -1.874 1.00 0.00 C ATOM 276 O HIS A 20 9.413 1.284 -2.062 1.00 0.00 O ATOM 277 CB HIS A 20 9.933 -1.725 -2.914 1.00 0.00 C ATOM 278 CG HIS A 20 9.798 -2.410 -4.240 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.325 -1.776 -5.369 1.00 0.00 N ATOM 280 CD2 HIS A 20 10.078 -3.680 -4.613 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.319 -2.627 -6.379 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.771 -3.790 -5.947 1.00 0.00 N ATOM 0 H HIS A 20 12.374 -1.734 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 20 10.661 0.020 -3.933 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.367 -2.422 -2.197 1.00 0.00 H new ATOM 0 HB3 HIS A 20 8.941 -1.465 -2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.470 -4.462 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.999 -2.409 -7.387 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.875 -4.633 -6.512 1.00 0.00 H new ATOM 290 N SER A 21 11.035 0.465 -0.735 1.00 0.00 N ATOM 291 CA SER A 21 10.711 1.339 0.386 1.00 0.00 C ATOM 292 C SER A 21 11.499 2.643 0.305 1.00 0.00 C ATOM 293 O SER A 21 10.921 3.726 0.215 1.00 0.00 O ATOM 294 CB SER A 21 11.007 0.634 1.712 1.00 0.00 C ATOM 295 OG SER A 21 10.119 -0.451 1.921 1.00 0.00 O ATOM 0 H SER A 21 11.816 -0.168 -0.564 1.00 0.00 H new ATOM 0 HA SER A 21 9.648 1.573 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.035 0.272 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.918 1.345 2.534 1.00 0.00 H new ATOM 0 HG SER A 21 10.610 -1.206 2.307 1.00 0.00 H new ATOM 301 N GLY A 22 12.823 2.530 0.336 1.00 0.00 N ATOM 302 CA GLY A 22 13.670 3.707 0.265 1.00 0.00 C ATOM 303 C GLY A 22 14.501 3.900 1.518 1.00 0.00 C ATOM 304 O GLY A 22 14.903 5.019 1.838 1.00 0.00 O ATOM 0 H GLY A 22 13.325 1.645 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.332 3.623 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.049 4.589 0.105 1.00 0.00 H new ATOM 308 N PHE A 23 14.757 2.808 2.230 1.00 0.00 N ATOM 309 CA PHE A 23 15.543 2.863 3.457 1.00 0.00 C ATOM 310 C PHE A 23 16.723 1.898 3.391 1.00 0.00 C ATOM 311 O PHE A 23 16.822 1.082 2.474 1.00 0.00 O ATOM 312 CB PHE A 23 14.665 2.531 4.666 1.00 0.00 C ATOM 313 CG PHE A 23 14.477 1.057 4.883 1.00 0.00 C ATOM 314 CD1 PHE A 23 13.776 0.292 3.965 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.001 0.436 6.005 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.601 -1.065 4.163 1.00 0.00 C ATOM 317 CE2 PHE A 23 14.829 -0.920 6.209 1.00 0.00 C ATOM 318 CZ PHE A 23 14.129 -1.672 5.286 1.00 0.00 C ATOM 0 H PHE A 23 14.432 1.874 1.979 1.00 0.00 H new ATOM 0 HA PHE A 23 15.930 3.876 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.111 2.968 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.689 2.998 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.362 0.761 3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.551 1.019 6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.052 -1.650 3.440 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.241 -1.391 7.089 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.995 -2.732 5.442 1.00 0.00 H new ATOM 328 N THR A 24 17.616 1.997 4.371 1.00 0.00 N ATOM 329 CA THR A 24 18.790 1.135 4.424 1.00 0.00 C ATOM 330 C THR A 24 18.639 0.066 5.501 1.00 0.00 C ATOM 331 O THR A 24 17.997 0.292 6.528 1.00 0.00 O ATOM 332 CB THR A 24 20.071 1.946 4.698 1.00 0.00 C ATOM 333 OG1 THR A 24 20.187 3.012 3.749 1.00 0.00 O ATOM 334 CG2 THR A 24 21.302 1.056 4.622 1.00 0.00 C ATOM 0 H THR A 24 17.548 2.665 5.138 1.00 0.00 H new ATOM 0 HA THR A 24 18.874 0.655 3.449 1.00 0.00 H new ATOM 0 HB THR A 24 20.004 2.361 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.003 3.524 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.194 1.651 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.224 0.263 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.372 0.616 3.627 1.00 0.00 H new ATOM 342 N LEU A 25 19.235 -1.097 5.261 1.00 0.00 N ATOM 343 CA LEU A 25 19.167 -2.201 6.212 1.00 0.00 C ATOM 344 C LEU A 25 20.518 -2.898 6.335 1.00 0.00 C ATOM 345 O LEU A 25 21.183 -3.165 5.334 1.00 0.00 O ATOM 346 CB LEU A 25 18.099 -3.207 5.780 1.00 0.00 C ATOM 347 CG LEU A 25 17.895 -4.408 6.704 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.654 -4.216 7.563 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.792 -5.693 5.895 1.00 0.00 C ATOM 0 H LEU A 25 19.770 -1.300 4.417 1.00 0.00 H new ATOM 0 HA LEU A 25 18.900 -1.792 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.149 -2.680 5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.357 -3.577 4.788 1.00 0.00 H new ATOM 0 HG LEU A 25 18.760 -4.486 7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.525 -5.081 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.767 -3.318 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.780 -4.112 6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.647 -6.537 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.946 -5.626 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.709 -5.838 5.324 1.00 0.00 H new ATOM 361 N SER A 26 20.918 -3.191 7.568 1.00 0.00 N ATOM 362 CA SER A 26 22.191 -3.855 7.822 1.00 0.00 C ATOM 363 C SER A 26 21.974 -5.203 8.504 1.00 0.00 C ATOM 364 O SER A 26 21.704 -5.269 9.703 1.00 0.00 O ATOM 365 CB SER A 26 23.088 -2.971 8.690 1.00 0.00 C ATOM 366 OG SER A 26 24.362 -2.797 8.095 1.00 0.00 O ATOM 0 H SER A 26 20.379 -2.979 8.407 1.00 0.00 H new ATOM 0 HA SER A 26 22.680 -4.026 6.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.615 -2.000 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.202 -3.421 9.676 1.00 0.00 H new ATOM 0 HG SER A 26 24.916 -2.227 8.668 1.00 0.00 H new ATOM 372 N VAL A 27 22.093 -6.277 7.729 1.00 0.00 N ATOM 373 CA VAL A 27 21.911 -7.624 8.257 1.00 0.00 C ATOM 374 C VAL A 27 23.049 -8.541 7.824 1.00 0.00 C ATOM 375 O VAL A 27 23.491 -8.501 6.676 1.00 0.00 O ATOM 376 CB VAL A 27 20.573 -8.231 7.795 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.401 -8.064 6.293 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.490 -9.698 8.190 1.00 0.00 C ATOM 0 H VAL A 27 22.315 -6.240 6.734 1.00 0.00 H new ATOM 0 HA VAL A 27 21.908 -7.541 9.344 1.00 0.00 H new ATOM 0 HB VAL A 27 19.761 -7.698 8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.450 -8.499 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.414 -7.004 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.216 -8.570 5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.538 -10.111 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.308 -10.247 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.564 -9.788 9.274 1.00 0.00 H new ATOM 388 N ASP A 28 23.520 -9.368 8.752 1.00 0.00 N ATOM 389 CA ASP A 28 24.606 -10.298 8.467 1.00 0.00 C ATOM 390 C ASP A 28 24.205 -11.284 7.374 1.00 0.00 C ATOM 391 O ASP A 28 23.400 -12.186 7.604 1.00 0.00 O ATOM 392 CB ASP A 28 25.003 -11.056 9.735 1.00 0.00 C ATOM 393 CG ASP A 28 25.955 -10.264 10.609 1.00 0.00 C ATOM 394 OD1 ASP A 28 25.474 -9.465 11.440 1.00 0.00 O ATOM 395 OD2 ASP A 28 27.182 -10.443 10.463 1.00 0.00 O ATOM 0 H ASP A 28 23.166 -9.413 9.708 1.00 0.00 H new ATOM 0 HA ASP A 28 25.462 -9.722 8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.106 -11.298 10.306 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.470 -12.001 9.458 1.00 0.00 H new ATOM 524 N SER A 37 14.561 -16.843 1.154 1.00 0.00 N ATOM 525 CA SER A 37 13.543 -16.164 1.947 1.00 0.00 C ATOM 526 C SER A 37 12.270 -15.954 1.133 1.00 0.00 C ATOM 527 O SER A 37 12.320 -15.789 -0.085 1.00 0.00 O ATOM 528 CB SER A 37 14.070 -14.817 2.447 1.00 0.00 C ATOM 529 OG SER A 37 13.005 -13.933 2.749 1.00 0.00 O ATOM 0 HA SER A 37 13.306 -16.794 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.683 -14.970 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.713 -14.371 1.689 1.00 0.00 H new ATOM 0 HG SER A 37 12.412 -14.348 3.410 1.00 0.00 H new ATOM 535 N ASN A 38 11.130 -15.962 1.816 1.00 0.00 N ATOM 536 CA ASN A 38 9.843 -15.773 1.158 1.00 0.00 C ATOM 537 C ASN A 38 9.698 -14.343 0.646 1.00 0.00 C ATOM 538 O ASN A 38 9.777 -13.386 1.416 1.00 0.00 O ATOM 539 CB ASN A 38 8.701 -16.100 2.121 1.00 0.00 C ATOM 540 CG ASN A 38 8.720 -17.549 2.570 1.00 0.00 C ATOM 541 OD1 ASN A 38 9.486 -18.361 2.051 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.875 -17.879 3.540 1.00 0.00 N ATOM 0 H ASN A 38 11.072 -16.097 2.825 1.00 0.00 H new ATOM 0 HA ASN A 38 9.796 -16.451 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.769 -15.451 2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.748 -15.885 1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.843 -18.839 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.258 -17.173 3.941 1.00 0.00 H new ATOM 549 N GLY A 39 9.484 -14.205 -0.659 1.00 0.00 N ATOM 550 CA GLY A 39 9.331 -12.889 -1.251 1.00 0.00 C ATOM 551 C GLY A 39 8.111 -12.157 -0.728 1.00 0.00 C ATOM 552 O GLY A 39 7.417 -12.648 0.163 1.00 0.00 O ATOM 0 H GLY A 39 9.414 -14.981 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.222 -12.296 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.255 -12.988 -2.334 1.00 0.00 H new ATOM 556 N LEU A 40 7.850 -10.977 -1.280 1.00 0.00 N ATOM 557 CA LEU A 40 6.706 -10.174 -0.863 1.00 0.00 C ATOM 558 C LEU A 40 5.582 -10.251 -1.891 1.00 0.00 C ATOM 559 O LEU A 40 5.826 -10.472 -3.078 1.00 0.00 O ATOM 560 CB LEU A 40 7.127 -8.717 -0.660 1.00 0.00 C ATOM 561 CG LEU A 40 6.077 -7.795 -0.040 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.521 -8.402 1.239 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.670 -6.421 0.235 1.00 0.00 C ATOM 0 H LEU A 40 8.415 -10.555 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 40 6.338 -10.575 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.014 -8.701 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.417 -8.306 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 40 5.258 -7.681 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.775 -7.731 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.059 -9.363 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.330 -8.547 1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.909 -5.778 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.508 -6.518 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.019 -5.982 -0.699 1.00 0.00 H new ATOM 575 N HIS A 41 4.349 -10.066 -1.428 1.00 0.00 N ATOM 576 CA HIS A 41 3.187 -10.112 -2.308 1.00 0.00 C ATOM 577 C HIS A 41 1.999 -9.392 -1.678 1.00 0.00 C ATOM 578 O HIS A 41 1.303 -9.947 -0.828 1.00 0.00 O ATOM 579 CB HIS A 41 2.813 -11.562 -2.619 1.00 0.00 C ATOM 580 CG HIS A 41 2.455 -11.794 -4.055 1.00 0.00 C ATOM 581 ND1 HIS A 41 1.153 -11.880 -4.501 1.00 0.00 N ATOM 582 CD2 HIS A 41 3.237 -11.956 -5.147 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.150 -12.087 -5.806 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.403 -12.136 -6.223 1.00 0.00 N ATOM 0 H HIS A 41 4.130 -9.883 -0.449 1.00 0.00 H new ATOM 0 HA HIS A 41 3.446 -9.604 -3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.649 -12.209 -2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.971 -11.854 -1.992 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.317 -11.946 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.273 -12.197 -6.426 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.702 -12.283 -7.187 1.00 0.00 H new ATOM 592 N GLY A 42 1.773 -8.151 -2.099 1.00 0.00 N ATOM 593 CA GLY A 42 0.670 -7.375 -1.564 1.00 0.00 C ATOM 594 C GLY A 42 1.111 -6.021 -1.047 1.00 0.00 C ATOM 595 O GLY A 42 2.307 -5.752 -0.931 1.00 0.00 O ATOM 0 H GLY A 42 2.335 -7.669 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.083 -7.237 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.196 -7.932 -0.756 1.00 0.00 H new ATOM 599 N ASP A 43 0.144 -5.164 -0.736 1.00 0.00 N ATOM 600 CA ASP A 43 0.439 -3.829 -0.229 1.00 0.00 C ATOM 601 C ASP A 43 0.951 -3.895 1.206 1.00 0.00 C ATOM 602 O ASP A 43 0.236 -4.323 2.113 1.00 0.00 O ATOM 603 CB ASP A 43 -0.809 -2.947 -0.298 1.00 0.00 C ATOM 604 CG ASP A 43 -0.709 -1.731 0.601 1.00 0.00 C ATOM 605 OD1 ASP A 43 0.396 -1.158 0.703 1.00 0.00 O ATOM 606 OD2 ASP A 43 -1.735 -1.352 1.204 1.00 0.00 O ATOM 0 H ASP A 43 -0.851 -5.370 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 43 1.218 -3.393 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.965 -2.623 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.682 -3.535 -0.014 1.00 0.00 H new ATOM 611 N TYR A 44 2.193 -3.468 1.405 1.00 0.00 N ATOM 612 CA TYR A 44 2.803 -3.481 2.730 1.00 0.00 C ATOM 613 C TYR A 44 3.841 -2.370 2.863 1.00 0.00 C ATOM 614 O TYR A 44 4.729 -2.232 2.022 1.00 0.00 O ATOM 615 CB TYR A 44 3.454 -4.838 3.001 1.00 0.00 C ATOM 616 CG TYR A 44 2.482 -5.995 2.959 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.618 -6.243 4.019 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.426 -6.841 1.857 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.729 -7.299 3.984 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.539 -7.899 1.813 1.00 0.00 C ATOM 621 CZ TYR A 44 0.693 -8.124 2.879 1.00 0.00 C ATOM 622 OH TYR A 44 -0.192 -9.177 2.840 1.00 0.00 O ATOM 0 H TYR A 44 2.797 -3.109 0.666 1.00 0.00 H new ATOM 0 HA TYR A 44 2.017 -3.309 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.240 -5.008 2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.934 -4.813 3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.642 -5.598 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.087 -6.668 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.066 -7.478 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.508 -8.546 0.949 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.091 -9.658 1.992 1.00 0.00 H new ATOM 632 N ASP A 45 3.722 -1.583 3.926 1.00 0.00 N ATOM 633 CA ASP A 45 4.650 -0.485 4.172 1.00 0.00 C ATOM 634 C ASP A 45 6.085 -0.995 4.256 1.00 0.00 C ATOM 635 O ASP A 45 6.344 -2.184 4.070 1.00 0.00 O ATOM 636 CB ASP A 45 4.278 0.246 5.463 1.00 0.00 C ATOM 637 CG ASP A 45 2.797 0.558 5.545 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.188 0.828 4.489 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.247 0.533 6.666 1.00 0.00 O ATOM 0 H ASP A 45 2.992 -1.685 4.631 1.00 0.00 H new ATOM 0 HA ASP A 45 4.580 0.212 3.337 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.566 -0.365 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.846 1.174 5.528 1.00 0.00 H new ATOM 644 N VAL A 46 7.015 -0.088 4.537 1.00 0.00 N ATOM 645 CA VAL A 46 8.424 -0.446 4.647 1.00 0.00 C ATOM 646 C VAL A 46 8.644 -1.479 5.747 1.00 0.00 C ATOM 647 O VAL A 46 9.347 -2.469 5.549 1.00 0.00 O ATOM 648 CB VAL A 46 9.296 0.790 4.936 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.778 1.535 6.157 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.749 0.383 5.127 1.00 0.00 C ATOM 0 H VAL A 46 6.818 0.901 4.693 1.00 0.00 H new ATOM 0 HA VAL A 46 8.718 -0.873 3.688 1.00 0.00 H new ATOM 0 HB VAL A 46 9.240 1.462 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.407 2.405 6.346 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.753 1.860 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.803 0.875 7.024 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.351 1.269 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.826 -0.309 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.113 -0.103 4.222 1.00 0.00 H new ATOM 660 N GLU A 47 8.039 -1.240 6.906 1.00 0.00 N ATOM 661 CA GLU A 47 8.170 -2.150 8.037 1.00 0.00 C ATOM 662 C GLU A 47 7.345 -3.415 7.816 1.00 0.00 C ATOM 663 O GLU A 47 7.857 -4.529 7.923 1.00 0.00 O ATOM 664 CB GLU A 47 7.728 -1.460 9.329 1.00 0.00 C ATOM 665 CG GLU A 47 8.639 -0.320 9.752 1.00 0.00 C ATOM 666 CD GLU A 47 7.871 0.876 10.281 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.101 0.706 11.249 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.040 1.982 9.726 1.00 0.00 O ATOM 0 H GLU A 47 7.454 -0.424 7.086 1.00 0.00 H new ATOM 0 HA GLU A 47 9.219 -2.431 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.716 -1.076 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.688 -2.198 10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.326 -0.675 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.246 -0.010 8.901 1.00 0.00 H new ATOM 675 N SER A 48 6.065 -3.234 7.508 1.00 0.00 N ATOM 676 CA SER A 48 5.168 -4.359 7.276 1.00 0.00 C ATOM 677 C SER A 48 5.728 -5.288 6.203 1.00 0.00 C ATOM 678 O SER A 48 5.826 -6.498 6.403 1.00 0.00 O ATOM 679 CB SER A 48 3.783 -3.858 6.860 1.00 0.00 C ATOM 680 OG SER A 48 2.762 -4.514 7.592 1.00 0.00 O ATOM 0 H SER A 48 5.626 -2.318 7.413 1.00 0.00 H new ATOM 0 HA SER A 48 5.080 -4.919 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.718 -2.782 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.637 -4.028 5.793 1.00 0.00 H new ATOM 0 HG SER A 48 1.887 -4.175 7.309 1.00 0.00 H new ATOM 686 N GLY A 49 6.094 -4.712 5.062 1.00 0.00 N ATOM 687 CA GLY A 49 6.639 -5.502 3.974 1.00 0.00 C ATOM 688 C GLY A 49 7.927 -6.204 4.356 1.00 0.00 C ATOM 689 O GLY A 49 8.121 -7.378 4.038 1.00 0.00 O ATOM 0 H GLY A 49 6.023 -3.712 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.903 -6.244 3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.822 -4.855 3.116 1.00 0.00 H new ATOM 693 N LEU A 50 8.811 -5.485 5.038 1.00 0.00 N ATOM 694 CA LEU A 50 10.089 -6.046 5.463 1.00 0.00 C ATOM 695 C LEU A 50 9.883 -7.339 6.245 1.00 0.00 C ATOM 696 O LEU A 50 10.470 -8.371 5.921 1.00 0.00 O ATOM 697 CB LEU A 50 10.853 -5.035 6.320 1.00 0.00 C ATOM 698 CG LEU A 50 11.807 -5.622 7.360 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.821 -6.541 6.696 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.513 -4.511 8.124 1.00 0.00 C ATOM 0 H LEU A 50 8.667 -4.512 5.309 1.00 0.00 H new ATOM 0 HA LEU A 50 10.673 -6.272 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.425 -4.386 5.657 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.128 -4.405 6.836 1.00 0.00 H new ATOM 0 HG LEU A 50 11.223 -6.210 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.492 -6.949 7.452 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.300 -7.356 6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.400 -5.977 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.188 -4.948 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.084 -3.896 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.774 -3.892 8.632 1.00 0.00 H new ATOM 712 N GLN A 51 9.045 -7.276 7.274 1.00 0.00 N ATOM 713 CA GLN A 51 8.760 -8.443 8.101 1.00 0.00 C ATOM 714 C GLN A 51 8.105 -9.547 7.277 1.00 0.00 C ATOM 715 O GLN A 51 8.197 -10.725 7.618 1.00 0.00 O ATOM 716 CB GLN A 51 7.854 -8.057 9.271 1.00 0.00 C ATOM 717 CG GLN A 51 8.411 -6.931 10.126 1.00 0.00 C ATOM 718 CD GLN A 51 9.020 -7.429 11.422 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.418 -7.312 12.490 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.221 -7.988 11.335 1.00 0.00 N ATOM 0 H GLN A 51 8.551 -6.429 7.555 1.00 0.00 H new ATOM 0 HA GLN A 51 9.705 -8.819 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.880 -7.759 8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.693 -8.933 9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.167 -6.389 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.614 -6.223 10.352 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.684 -8.064 10.429 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.681 -8.341 12.174 1.00 0.00 H new ATOM 729 N GLN A 52 7.445 -9.156 6.192 1.00 0.00 N ATOM 730 CA GLN A 52 6.774 -10.113 5.320 1.00 0.00 C ATOM 731 C GLN A 52 7.787 -10.907 4.502 1.00 0.00 C ATOM 732 O GLN A 52 7.528 -12.046 4.111 1.00 0.00 O ATOM 733 CB GLN A 52 5.801 -9.390 4.387 1.00 0.00 C ATOM 734 CG GLN A 52 4.347 -9.505 4.817 1.00 0.00 C ATOM 735 CD GLN A 52 3.912 -10.942 5.027 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.735 -11.389 6.161 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.738 -11.674 3.934 1.00 0.00 N ATOM 0 H GLN A 52 7.360 -8.184 5.896 1.00 0.00 H new ATOM 0 HA GLN A 52 6.216 -10.808 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.074 -8.336 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.907 -9.795 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.200 -8.946 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.711 -9.044 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.896 -11.263 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.446 -12.648 4.014 1.00 0.00 H new ATOM 746 N LEU A 53 8.939 -10.299 4.245 1.00 0.00 N ATOM 747 CA LEU A 53 9.992 -10.949 3.472 1.00 0.00 C ATOM 748 C LEU A 53 10.704 -12.010 4.306 1.00 0.00 C ATOM 749 O LEU A 53 10.808 -13.168 3.900 1.00 0.00 O ATOM 750 CB LEU A 53 11.001 -9.913 2.976 1.00 0.00 C ATOM 751 CG LEU A 53 10.747 -9.344 1.579 1.00 0.00 C ATOM 752 CD1 LEU A 53 10.124 -10.399 0.678 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.855 -8.114 1.658 1.00 0.00 C ATOM 0 H LEU A 53 9.168 -9.356 4.560 1.00 0.00 H new ATOM 0 HA LEU A 53 9.530 -11.437 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.021 -9.086 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.992 -10.366 2.987 1.00 0.00 H new ATOM 0 HG LEU A 53 11.704 -9.047 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.951 -9.976 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.799 -11.251 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.176 -10.727 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.685 -7.723 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.900 -8.385 2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.340 -7.351 2.268 1.00 0.00 H new ATOM 765 N LEU A 54 11.190 -11.608 5.475 1.00 0.00 N ATOM 766 CA LEU A 54 11.890 -12.524 6.368 1.00 0.00 C ATOM 767 C LEU A 54 10.902 -13.386 7.148 1.00 0.00 C ATOM 768 O LEU A 54 11.299 -14.273 7.904 1.00 0.00 O ATOM 769 CB LEU A 54 12.779 -11.743 7.338 1.00 0.00 C ATOM 770 CG LEU A 54 12.239 -11.576 8.758 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.132 -10.646 9.563 1.00 0.00 C ATOM 772 CD2 LEU A 54 10.810 -11.051 8.727 1.00 0.00 C ATOM 0 H LEU A 54 11.112 -10.654 5.827 1.00 0.00 H new ATOM 0 HA LEU A 54 12.514 -13.179 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.746 -12.242 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.956 -10.752 6.919 1.00 0.00 H new ATOM 0 HG LEU A 54 12.236 -12.553 9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.731 -10.539 10.571 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.138 -11.062 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.168 -9.669 9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.442 -10.938 9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.788 -10.084 8.224 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.176 -11.754 8.188 1.00 0.00 H new ATOM 784 N ASP A 55 9.615 -13.120 6.958 1.00 0.00 N ATOM 785 CA ASP A 55 8.569 -13.872 7.641 1.00 0.00 C ATOM 786 C ASP A 55 8.837 -15.372 7.558 1.00 0.00 C ATOM 787 O ASP A 55 9.172 -15.895 6.497 1.00 0.00 O ATOM 788 CB ASP A 55 7.202 -13.552 7.036 1.00 0.00 C ATOM 789 CG ASP A 55 6.817 -14.517 5.932 1.00 0.00 C ATOM 790 OD1 ASP A 55 7.555 -14.597 4.928 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.777 -15.194 6.072 1.00 0.00 O ATOM 0 H ASP A 55 9.270 -12.389 6.336 1.00 0.00 H new ATOM 0 HA ASP A 55 8.570 -13.577 8.690 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.445 -13.581 7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.212 -12.537 6.640 1.00 0.00 H new ATOM 796 N GLY A 56 8.688 -16.058 8.688 1.00 0.00 N ATOM 797 CA GLY A 56 8.919 -17.490 8.722 1.00 0.00 C ATOM 798 C GLY A 56 10.067 -17.871 9.635 1.00 0.00 C ATOM 799 O GLY A 56 10.259 -19.047 9.944 1.00 0.00 O ATOM 0 H GLY A 56 8.412 -15.647 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.011 -17.993 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.128 -17.845 7.713 1.00 0.00 H new ATOM 803 N SER A 57 10.832 -16.875 10.069 1.00 0.00 N ATOM 804 CA SER A 57 11.971 -17.112 10.948 1.00 0.00 C ATOM 805 C SER A 57 11.713 -16.535 12.337 1.00 0.00 C ATOM 806 O SER A 57 11.950 -17.194 13.349 1.00 0.00 O ATOM 807 CB SER A 57 13.238 -16.495 10.354 1.00 0.00 C ATOM 808 OG SER A 57 12.955 -15.261 9.717 1.00 0.00 O ATOM 0 H SER A 57 10.684 -15.895 9.826 1.00 0.00 H new ATOM 0 HA SER A 57 12.110 -18.189 11.040 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.975 -16.340 11.142 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.680 -17.185 9.636 1.00 0.00 H new ATOM 0 HG SER A 57 12.412 -15.423 8.917 1.00 0.00 H new ATOM 814 N GLY A 58 11.226 -15.299 12.377 1.00 0.00 N ATOM 815 CA GLY A 58 10.944 -14.653 13.646 1.00 0.00 C ATOM 816 C GLY A 58 12.162 -13.966 14.230 1.00 0.00 C ATOM 817 O GLY A 58 12.980 -14.599 14.900 1.00 0.00 O ATOM 0 H GLY A 58 11.022 -14.733 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.149 -13.921 13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.575 -15.395 14.354 1.00 0.00 H new ATOM 821 N LEU A 59 12.286 -12.668 13.976 1.00 0.00 N ATOM 822 CA LEU A 59 13.415 -11.894 14.481 1.00 0.00 C ATOM 823 C LEU A 59 12.982 -10.481 14.856 1.00 0.00 C ATOM 824 O LEU A 59 11.840 -10.089 14.619 1.00 0.00 O ATOM 825 CB LEU A 59 14.528 -11.838 13.433 1.00 0.00 C ATOM 826 CG LEU A 59 15.299 -13.138 13.202 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.927 -13.747 11.859 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.799 -12.890 13.280 1.00 0.00 C ATOM 0 H LEU A 59 11.619 -12.129 13.424 1.00 0.00 H new ATOM 0 HA LEU A 59 13.792 -12.388 15.377 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.091 -11.525 12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.238 -11.065 13.727 1.00 0.00 H new ATOM 0 HG LEU A 59 15.027 -13.844 13.986 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.485 -14.671 11.712 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.858 -13.961 11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.170 -13.045 11.061 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.332 -13.826 13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.088 -12.167 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.052 -12.499 14.265 1.00 0.00 H new ATOM 840 N GLN A 60 13.903 -9.721 15.440 1.00 0.00 N ATOM 841 CA GLN A 60 13.615 -8.350 15.846 1.00 0.00 C ATOM 842 C GLN A 60 14.335 -7.353 14.944 1.00 0.00 C ATOM 843 O GLN A 60 15.454 -7.601 14.495 1.00 0.00 O ATOM 844 CB GLN A 60 14.030 -8.130 17.302 1.00 0.00 C ATOM 845 CG GLN A 60 15.526 -7.931 17.485 1.00 0.00 C ATOM 846 CD GLN A 60 16.071 -8.675 18.688 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.283 -8.090 19.751 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.300 -9.973 18.528 1.00 0.00 N ATOM 0 H GLN A 60 14.854 -10.031 15.642 1.00 0.00 H new ATOM 0 HA GLN A 60 12.541 -8.187 15.753 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.505 -7.258 17.693 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.711 -8.987 17.896 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.046 -8.268 16.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.736 -6.867 17.595 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.110 -10.417 17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.666 -10.526 19.303 1.00 0.00 H new ATOM 857 N VAL A 61 13.685 -6.224 14.681 1.00 0.00 N ATOM 858 CA VAL A 61 14.262 -5.188 13.833 1.00 0.00 C ATOM 859 C VAL A 61 14.269 -3.838 14.541 1.00 0.00 C ATOM 860 O VAL A 61 13.218 -3.307 14.899 1.00 0.00 O ATOM 861 CB VAL A 61 13.492 -5.056 12.506 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.305 -4.261 11.494 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.138 -6.429 11.956 1.00 0.00 C ATOM 0 H VAL A 61 12.757 -6.003 15.043 1.00 0.00 H new ATOM 0 HA VAL A 61 15.288 -5.488 13.621 1.00 0.00 H new ATOM 0 HB VAL A 61 12.564 -4.516 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.745 -4.178 10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.503 -3.264 11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.250 -4.771 11.305 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.594 -6.316 11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.051 -6.997 11.780 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.514 -6.959 12.675 1.00 0.00 H new ATOM 873 N LYS A 62 15.461 -3.286 14.740 1.00 0.00 N ATOM 874 CA LYS A 62 15.607 -1.996 15.403 1.00 0.00 C ATOM 875 C LYS A 62 16.496 -1.062 14.588 1.00 0.00 C ATOM 876 O LYS A 62 17.495 -1.474 14.000 1.00 0.00 O ATOM 877 CB LYS A 62 16.195 -2.184 16.804 1.00 0.00 C ATOM 878 CG LYS A 62 17.358 -3.159 16.850 1.00 0.00 C ATOM 879 CD LYS A 62 16.914 -4.535 17.317 1.00 0.00 C ATOM 880 CE LYS A 62 17.031 -4.676 18.827 1.00 0.00 C ATOM 881 NZ LYS A 62 18.438 -4.527 19.290 1.00 0.00 N ATOM 0 H LYS A 62 16.341 -3.713 14.451 1.00 0.00 H new ATOM 0 HA LYS A 62 14.618 -1.545 15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.527 -1.217 17.182 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.410 -2.536 17.474 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.808 -3.237 15.860 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.128 -2.777 17.521 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.882 -4.708 17.013 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.521 -5.299 16.831 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.408 -3.924 19.311 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.650 -5.651 19.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.578 -5.081 20.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.085 -4.872 18.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.636 -3.524 19.483 1.00 0.00 H new ATOM 895 N PRO A 63 16.126 0.227 14.553 1.00 0.00 N ATOM 896 CA PRO A 63 16.877 1.246 13.815 1.00 0.00 C ATOM 897 C PRO A 63 18.227 1.549 14.456 1.00 0.00 C ATOM 898 O PRO A 63 18.450 1.247 15.630 1.00 0.00 O ATOM 899 CB PRO A 63 15.966 2.474 13.879 1.00 0.00 C ATOM 900 CG PRO A 63 15.145 2.273 15.105 1.00 0.00 C ATOM 901 CD PRO A 63 14.945 0.788 15.231 1.00 0.00 C ATOM 0 HA PRO A 63 17.111 0.925 12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.546 3.395 13.938 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.339 2.549 12.990 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.651 2.675 15.983 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.189 2.790 15.023 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.894 0.476 16.274 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.018 0.465 14.757 1.00 0.00 H new ATOM 909 N LEU A 64 19.124 2.149 13.681 1.00 0.00 N ATOM 910 CA LEU A 64 20.453 2.494 14.175 1.00 0.00 C ATOM 911 C LEU A 64 20.726 3.985 14.005 1.00 0.00 C ATOM 912 O LEU A 64 20.892 4.712 14.984 1.00 0.00 O ATOM 913 CB LEU A 64 21.519 1.681 13.439 1.00 0.00 C ATOM 914 CG LEU A 64 21.112 0.270 13.012 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.181 -0.348 12.125 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.858 -0.603 14.232 1.00 0.00 C ATOM 0 H LEU A 64 18.956 2.407 12.709 1.00 0.00 H new ATOM 0 HA LEU A 64 20.493 2.255 15.238 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.820 2.235 12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.397 1.606 14.081 1.00 0.00 H new ATOM 0 HG LEU A 64 20.187 0.336 12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.874 -1.352 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.315 0.266 11.234 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.122 -0.402 12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.569 -1.603 13.910 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.766 -0.663 14.832 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.056 -0.169 14.829 1.00 0.00 H new ATOM 928 N GLY A 65 20.769 4.435 12.755 1.00 0.00 N ATOM 929 CA GLY A 65 21.020 5.838 12.479 1.00 0.00 C ATOM 930 C GLY A 65 20.091 6.396 11.420 1.00 0.00 C ATOM 931 O GLY A 65 18.887 6.516 11.642 1.00 0.00 O ATOM 0 H GLY A 65 20.635 3.853 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.904 6.412 13.398 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.053 5.962 12.154 1.00 0.00 H new ATOM 935 N ASN A 66 20.651 6.740 10.265 1.00 0.00 N ATOM 936 CA ASN A 66 19.864 7.291 9.168 1.00 0.00 C ATOM 937 C ASN A 66 18.892 6.252 8.620 1.00 0.00 C ATOM 938 O ASN A 66 19.221 5.502 7.701 1.00 0.00 O ATOM 939 CB ASN A 66 20.785 7.784 8.050 1.00 0.00 C ATOM 940 CG ASN A 66 20.541 9.239 7.698 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.477 10.034 7.611 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.278 9.594 7.495 1.00 0.00 N ATOM 0 H ASN A 66 21.647 6.647 10.064 1.00 0.00 H new ATOM 0 HA ASN A 66 19.288 8.133 9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.823 7.656 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.636 7.169 7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.052 10.559 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.534 8.901 7.578 1.00 0.00 H new ATOM 949 N ASN A 67 17.692 6.213 9.190 1.00 0.00 N ATOM 950 CA ASN A 67 16.671 5.265 8.759 1.00 0.00 C ATOM 951 C ASN A 67 17.289 3.908 8.438 1.00 0.00 C ATOM 952 O ASN A 67 16.887 3.241 7.485 1.00 0.00 O ATOM 953 CB ASN A 67 15.930 5.804 7.533 1.00 0.00 C ATOM 954 CG ASN A 67 16.876 6.214 6.421 1.00 0.00 C ATOM 955 OD1 ASN A 67 17.144 7.400 6.225 1.00 0.00 O ATOM 956 ND2 ASN A 67 17.385 5.233 5.686 1.00 0.00 N ATOM 0 H ASN A 67 17.403 6.827 9.951 1.00 0.00 H new ATOM 0 HA ASN A 67 15.962 5.137 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.245 5.042 7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.324 6.661 7.826 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.026 5.448 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.135 4.264 5.885 1.00 0.00 H new ATOM 963 N SER A 68 18.269 3.506 9.241 1.00 0.00 N ATOM 964 CA SER A 68 18.945 2.229 9.040 1.00 0.00 C ATOM 965 C SER A 68 18.478 1.200 10.065 1.00 0.00 C ATOM 966 O SER A 68 18.655 1.382 11.269 1.00 0.00 O ATOM 967 CB SER A 68 20.461 2.411 9.139 1.00 0.00 C ATOM 968 OG SER A 68 20.834 3.749 8.858 1.00 0.00 O ATOM 0 H SER A 68 18.612 4.045 10.036 1.00 0.00 H new ATOM 0 HA SER A 68 18.693 1.865 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.798 2.139 10.139 1.00 0.00 H new ATOM 0 HB3 SER A 68 20.958 1.737 8.440 1.00 0.00 H new ATOM 0 HG SER A 68 20.243 4.115 8.168 1.00 0.00 H new ATOM 974 N TRP A 69 17.880 0.119 9.576 1.00 0.00 N ATOM 975 CA TRP A 69 17.386 -0.940 10.449 1.00 0.00 C ATOM 976 C TRP A 69 18.288 -2.167 10.379 1.00 0.00 C ATOM 977 O TRP A 69 18.970 -2.394 9.379 1.00 0.00 O ATOM 978 CB TRP A 69 15.955 -1.321 10.063 1.00 0.00 C ATOM 979 CG TRP A 69 15.004 -0.163 10.092 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.098 0.993 9.373 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.816 -0.051 10.883 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.040 1.819 9.669 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.239 1.201 10.592 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.182 -0.886 11.807 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.060 1.635 11.193 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.013 -0.453 12.404 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.461 0.797 12.094 1.00 0.00 C ATOM 0 H TRP A 69 17.726 -0.047 8.581 1.00 0.00 H new ATOM 0 HA TRP A 69 17.391 -0.566 11.473 1.00 0.00 H new ATOM 0 HB2 TRP A 69 15.959 -1.754 9.063 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.596 -2.094 10.743 1.00 0.00 H new ATOM 0 HD1 TRP A 69 15.888 1.225 8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 69 13.878 2.742 9.267 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.598 -1.852 12.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.634 2.599 10.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.516 -1.089 13.122 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.545 1.105 12.576 1.00 0.00 H new ATOM 998 N THR A 70 18.288 -2.958 11.448 1.00 0.00 N ATOM 999 CA THR A 70 19.107 -4.162 11.509 1.00 0.00 C ATOM 1000 C THR A 70 18.320 -5.334 12.082 1.00 0.00 C ATOM 1001 O THR A 70 17.424 -5.150 12.907 1.00 0.00 O ATOM 1002 CB THR A 70 20.370 -3.939 12.362 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.245 -5.067 12.245 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.005 -3.724 13.823 1.00 0.00 C ATOM 0 H THR A 70 17.729 -2.786 12.284 1.00 0.00 H new ATOM 0 HA THR A 70 19.405 -4.394 10.486 1.00 0.00 H new ATOM 0 HB THR A 70 20.877 -3.046 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.704 -5.037 11.380 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.913 -3.569 14.406 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.362 -2.848 13.912 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.478 -4.601 14.199 1.00 0.00 H new ATOM 1012 N LEU A 71 18.660 -6.540 11.641 1.00 0.00 N ATOM 1013 CA LEU A 71 17.985 -7.745 12.112 1.00 0.00 C ATOM 1014 C LEU A 71 18.858 -8.506 13.105 1.00 0.00 C ATOM 1015 O LEU A 71 20.078 -8.562 12.956 1.00 0.00 O ATOM 1016 CB LEU A 71 17.629 -8.649 10.930 1.00 0.00 C ATOM 1017 CG LEU A 71 16.184 -8.571 10.436 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.227 -9.074 11.505 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.835 -7.146 10.032 1.00 0.00 C ATOM 0 H LEU A 71 19.399 -6.710 10.958 1.00 0.00 H new ATOM 0 HA LEU A 71 17.069 -7.444 12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.290 -8.403 10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.841 -9.681 11.211 1.00 0.00 H new ATOM 0 HG LEU A 71 16.085 -9.210 9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.203 -9.011 11.136 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.463 -10.111 11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.328 -8.461 12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.803 -7.109 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.951 -6.485 10.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.500 -6.821 9.232 1.00 0.00 H new ATOM 1031 N GLU A 72 18.223 -9.092 14.115 1.00 0.00 N ATOM 1032 CA GLU A 72 18.943 -9.851 15.131 1.00 0.00 C ATOM 1033 C GLU A 72 18.072 -10.972 15.692 1.00 0.00 C ATOM 1034 O GLU A 72 16.844 -10.933 15.620 1.00 0.00 O ATOM 1035 CB GLU A 72 19.396 -8.927 16.264 1.00 0.00 C ATOM 1036 CG GLU A 72 20.725 -8.241 15.996 1.00 0.00 C ATOM 1037 CD GLU A 72 21.893 -9.207 16.008 1.00 0.00 C ATOM 1038 OE1 GLU A 72 22.399 -9.514 17.108 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.302 -9.657 14.917 1.00 0.00 O ATOM 0 H GLU A 72 17.213 -9.056 14.252 1.00 0.00 H new ATOM 0 HA GLU A 72 19.820 -10.296 14.662 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.632 -8.168 16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.475 -9.506 17.184 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.683 -7.740 15.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.889 -7.469 16.748 1.00 0.00 H new