USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 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 72 HIS : no HD1:sc= -6.89! C(o=-6.1!,f=-6!) USER MOD Set 1.2: A 121 THR OG1 : rot -2:sc= 0.782 USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= 0.927 F(o=-1.5!,f=1.6) USER MOD Set 2.2: A 54 GLN : amide:sc= 0.668 K(o=1.6,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 0.0202 (180deg=0) USER MOD Single : A 2 SER OG : rot -19:sc= 1.08 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 97:sc= 1 USER MOD Single : A 28 LYS NZ :NH3+ -146:sc= -0.223 (180deg=-1.37!) USER MOD Single : A 38 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-5.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-1!) USER MOD Single : A 73 MET CE :methyl 177:sc= 0 (180deg=-0.0166) USER MOD Single : A 75 ASN : amide:sc= -1.03 K(o=-1,f=-1.8!) USER MOD Single : A 92 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.22) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 111 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.28) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot -67:sc= 0.772 USER MOD Single : A 125 TYR OH : rot -178:sc= -0.562 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.847 22.964 -21.738 1.00 1.00 N ATOM 2 CA MET A 1 79.976 22.024 -22.885 1.00 1.00 C ATOM 3 C MET A 1 78.874 20.969 -22.785 1.00 1.00 C ATOM 4 O MET A 1 77.854 21.181 -22.125 1.00 1.00 O ATOM 5 CB MET A 1 81.387 21.381 -22.847 1.00 1.00 C ATOM 6 CG MET A 1 82.324 22.111 -23.816 1.00 1.00 C ATOM 7 SD MET A 1 81.834 21.729 -25.515 1.00 1.00 S ATOM 8 CE MET A 1 82.929 22.910 -26.333 1.00 1.00 C ATOM 0 H1 MET A 1 80.357 23.845 -21.952 1.00 1.00 H new ATOM 0 H2 MET A 1 78.842 23.177 -21.575 1.00 1.00 H new ATOM 0 H3 MET A 1 80.252 22.528 -20.885 1.00 1.00 H new ATOM 0 HA MET A 1 79.863 22.546 -23.835 1.00 1.00 H new ATOM 0 HB2 MET A 1 81.789 21.428 -21.835 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.322 20.327 -23.116 1.00 1.00 H new ATOM 0 HG2 MET A 1 82.279 23.186 -23.644 1.00 1.00 H new ATOM 0 HG3 MET A 1 83.356 21.804 -23.644 1.00 1.00 H new ATOM 0 HE1 MET A 1 82.792 22.846 -27.412 1.00 1.00 H new ATOM 0 HE2 MET A 1 82.692 23.919 -25.996 1.00 1.00 H new ATOM 0 HE3 MET A 1 83.965 22.678 -26.084 1.00 1.00 H new ATOM 18 N SER A 2 79.087 19.835 -23.440 1.00 1.00 N ATOM 19 CA SER A 2 78.121 18.749 -23.423 1.00 1.00 C ATOM 20 C SER A 2 78.126 18.042 -22.069 1.00 1.00 C ATOM 21 O SER A 2 77.433 17.042 -21.899 1.00 1.00 O ATOM 22 CB SER A 2 78.474 17.727 -24.497 1.00 1.00 C ATOM 23 OG SER A 2 77.529 16.667 -24.448 1.00 1.00 O ATOM 0 H SER A 2 79.924 19.645 -23.991 1.00 1.00 H new ATOM 0 HA SER A 2 77.134 19.173 -23.610 1.00 1.00 H new ATOM 0 HB2 SER A 2 78.465 18.195 -25.481 1.00 1.00 H new ATOM 0 HB3 SER A 2 79.481 17.343 -24.336 1.00 1.00 H new ATOM 0 HG SER A 2 77.072 16.676 -23.581 1.00 1.00 H new ATOM 29 N ASP A 3 78.907 18.577 -21.119 1.00 1.00 N ATOM 30 CA ASP A 3 79.015 18.012 -19.758 1.00 1.00 C ATOM 31 C ASP A 3 80.406 18.269 -19.171 1.00 1.00 C ATOM 32 O ASP A 3 81.418 18.072 -19.844 1.00 1.00 O ATOM 33 CB ASP A 3 78.782 16.496 -19.750 1.00 1.00 C ATOM 34 CG ASP A 3 79.599 15.864 -20.864 1.00 1.00 C ATOM 35 OD1 ASP A 3 80.458 16.551 -21.394 1.00 1.00 O ATOM 36 OD2 ASP A 3 79.361 14.710 -21.171 1.00 1.00 O ATOM 0 H ASP A 3 79.480 19.408 -21.267 1.00 1.00 H new ATOM 0 HA ASP A 3 78.248 18.504 -19.160 1.00 1.00 H new ATOM 0 HB2 ASP A 3 79.071 16.076 -18.787 1.00 1.00 H new ATOM 0 HB3 ASP A 3 77.723 16.277 -19.889 1.00 1.00 H new ATOM 41 N PHE A 4 80.451 18.688 -17.908 1.00 1.00 N ATOM 42 CA PHE A 4 81.724 18.943 -17.240 1.00 1.00 C ATOM 43 C PHE A 4 81.574 18.782 -15.738 1.00 1.00 C ATOM 44 O PHE A 4 80.508 19.032 -15.177 1.00 1.00 O ATOM 45 CB PHE A 4 82.206 20.358 -17.553 1.00 1.00 C ATOM 46 CG PHE A 4 83.539 20.598 -16.880 1.00 1.00 C ATOM 47 CD1 PHE A 4 84.699 20.021 -17.409 1.00 1.00 C ATOM 48 CD2 PHE A 4 83.614 21.393 -15.728 1.00 1.00 C ATOM 49 CE1 PHE A 4 85.936 20.239 -16.789 1.00 1.00 C ATOM 50 CE2 PHE A 4 84.852 21.610 -15.109 1.00 1.00 C ATOM 51 CZ PHE A 4 86.012 21.033 -15.640 1.00 1.00 C ATOM 0 H PHE A 4 79.627 18.857 -17.331 1.00 1.00 H new ATOM 0 HA PHE A 4 82.455 18.222 -17.605 1.00 1.00 H new ATOM 0 HB2 PHE A 4 82.302 20.491 -18.631 1.00 1.00 H new ATOM 0 HB3 PHE A 4 81.475 21.088 -17.206 1.00 1.00 H new ATOM 0 HD1 PHE A 4 84.640 19.407 -18.296 1.00 1.00 H new ATOM 0 HD2 PHE A 4 82.719 21.837 -15.318 1.00 1.00 H new ATOM 0 HE1 PHE A 4 86.831 19.794 -17.198 1.00 1.00 H new ATOM 0 HE2 PHE A 4 84.912 22.223 -14.222 1.00 1.00 H new ATOM 0 HZ PHE A 4 86.966 21.201 -15.162 1.00 1.00 H new ATOM 61 N ASP A 5 82.650 18.365 -15.085 1.00 1.00 N ATOM 62 CA ASP A 5 82.627 18.175 -13.642 1.00 1.00 C ATOM 63 C ASP A 5 84.021 18.410 -13.060 1.00 1.00 C ATOM 64 O ASP A 5 85.023 18.148 -13.725 1.00 1.00 O ATOM 65 CB ASP A 5 82.138 16.754 -13.319 1.00 1.00 C ATOM 66 CG ASP A 5 82.791 15.739 -14.251 1.00 1.00 C ATOM 67 OD1 ASP A 5 83.996 15.572 -14.166 1.00 1.00 O ATOM 68 OD2 ASP A 5 82.073 15.137 -15.032 1.00 1.00 O ATOM 0 H ASP A 5 83.544 18.153 -15.528 1.00 1.00 H new ATOM 0 HA ASP A 5 81.942 18.894 -13.192 1.00 1.00 H new ATOM 0 HB2 ASP A 5 82.373 16.509 -12.283 1.00 1.00 H new ATOM 0 HB3 ASP A 5 81.054 16.704 -13.420 1.00 1.00 H new ATOM 73 N THR A 6 84.092 18.932 -11.827 1.00 1.00 N ATOM 74 CA THR A 6 85.380 19.223 -11.191 1.00 1.00 C ATOM 75 C THR A 6 85.619 18.294 -10.004 1.00 1.00 C ATOM 76 O THR A 6 84.990 17.274 -9.862 1.00 1.00 O ATOM 77 CB THR A 6 85.398 20.703 -10.726 1.00 1.00 C ATOM 78 OG1 THR A 6 84.294 21.378 -11.312 1.00 1.00 O ATOM 79 CG2 THR A 6 86.699 21.389 -11.168 1.00 1.00 C ATOM 0 H THR A 6 83.278 19.159 -11.256 1.00 1.00 H new ATOM 0 HA THR A 6 86.179 19.058 -11.914 1.00 1.00 H new ATOM 0 HB THR A 6 85.335 20.738 -9.638 1.00 1.00 H new ATOM 0 HG1 THR A 6 84.293 22.315 -11.024 1.00 1.00 H new ATOM 0 HG21 THR A 6 86.695 22.426 -10.834 1.00 1.00 H new ATOM 0 HG22 THR A 6 87.551 20.870 -10.730 1.00 1.00 H new ATOM 0 HG23 THR A 6 86.775 21.358 -12.255 1.00 1.00 H new ATOM 87 N GLU A 7 86.538 18.670 -9.159 1.00 1.00 N ATOM 88 CA GLU A 7 86.865 17.869 -8.009 1.00 1.00 C ATOM 89 C GLU A 7 85.592 17.602 -7.222 1.00 1.00 C ATOM 90 O GLU A 7 85.312 16.490 -6.803 1.00 1.00 O ATOM 91 CB GLU A 7 87.916 18.591 -7.141 1.00 1.00 C ATOM 92 CG GLU A 7 89.265 18.668 -7.884 1.00 1.00 C ATOM 93 CD GLU A 7 89.846 17.272 -8.080 1.00 1.00 C ATOM 94 OE1 GLU A 7 89.982 16.565 -7.094 1.00 1.00 O ATOM 95 OE2 GLU A 7 90.156 16.932 -9.210 1.00 1.00 O ATOM 0 H GLU A 7 87.078 19.531 -9.245 1.00 1.00 H new ATOM 0 HA GLU A 7 87.294 16.918 -8.324 1.00 1.00 H new ATOM 0 HB2 GLU A 7 87.569 19.596 -6.899 1.00 1.00 H new ATOM 0 HB3 GLU A 7 88.043 18.061 -6.197 1.00 1.00 H new ATOM 0 HG2 GLU A 7 89.127 19.150 -8.852 1.00 1.00 H new ATOM 0 HG3 GLU A 7 89.964 19.283 -7.318 1.00 1.00 H new ATOM 102 N ARG A 8 84.778 18.619 -7.055 1.00 1.00 N ATOM 103 CA ARG A 8 83.535 18.388 -6.355 1.00 1.00 C ATOM 104 C ARG A 8 82.570 17.601 -7.229 1.00 1.00 C ATOM 105 O ARG A 8 82.186 16.488 -6.918 1.00 1.00 O ATOM 106 CB ARG A 8 82.916 19.726 -5.960 1.00 1.00 C ATOM 107 CG ARG A 8 83.507 20.207 -4.635 1.00 1.00 C ATOM 108 CD ARG A 8 82.930 21.582 -4.311 1.00 1.00 C ATOM 109 NE ARG A 8 81.479 21.497 -4.202 1.00 1.00 N ATOM 110 CZ ARG A 8 80.720 22.580 -4.307 1.00 1.00 C ATOM 111 NH1 ARG A 8 81.276 23.743 -4.505 1.00 1.00 N ATOM 112 NH2 ARG A 8 79.422 22.481 -4.217 1.00 1.00 N ATOM 0 H ARG A 8 84.941 19.573 -7.377 1.00 1.00 H new ATOM 0 HA ARG A 8 83.737 17.805 -5.456 1.00 1.00 H new ATOM 0 HB2 ARG A 8 83.101 20.465 -6.739 1.00 1.00 H new ATOM 0 HB3 ARG A 8 81.835 19.623 -5.869 1.00 1.00 H new ATOM 0 HG2 ARG A 8 83.272 19.501 -3.838 1.00 1.00 H new ATOM 0 HG3 ARG A 8 84.594 20.260 -4.703 1.00 1.00 H new ATOM 0 HD2 ARG A 8 83.353 21.953 -3.377 1.00 1.00 H new ATOM 0 HD3 ARG A 8 83.204 22.294 -5.090 1.00 1.00 H new ATOM 0 HE ARG A 8 81.040 20.590 -4.042 1.00 1.00 H new ATOM 0 HH11 ARG A 8 82.291 23.817 -4.579 1.00 1.00 H new ATOM 0 HH12 ARG A 8 80.696 24.578 -4.586 1.00 1.00 H new ATOM 0 HH21 ARG A 8 78.989 21.570 -4.066 1.00 1.00 H new ATOM 0 HH22 ARG A 8 78.840 23.315 -4.298 1.00 1.00 H new ATOM 126 N VAL A 9 82.227 18.169 -8.351 1.00 1.00 N ATOM 127 CA VAL A 9 81.315 17.462 -9.214 1.00 1.00 C ATOM 128 C VAL A 9 81.908 16.127 -9.643 1.00 1.00 C ATOM 129 O VAL A 9 81.285 15.113 -9.529 1.00 1.00 O ATOM 130 CB VAL A 9 80.971 18.295 -10.434 1.00 1.00 C ATOM 131 CG1 VAL A 9 79.780 17.685 -11.188 1.00 1.00 C ATOM 132 CG2 VAL A 9 80.624 19.712 -9.993 1.00 1.00 C ATOM 0 H VAL A 9 82.546 19.079 -8.682 1.00 1.00 H new ATOM 0 HA VAL A 9 80.399 17.274 -8.653 1.00 1.00 H new ATOM 0 HB VAL A 9 81.832 18.313 -11.102 1.00 1.00 H new ATOM 0 HG11 VAL A 9 79.549 18.297 -12.060 1.00 1.00 H new ATOM 0 HG12 VAL A 9 80.032 16.675 -11.511 1.00 1.00 H new ATOM 0 HG13 VAL A 9 78.912 17.649 -10.529 1.00 1.00 H new ATOM 0 HG21 VAL A 9 80.376 20.315 -10.867 1.00 1.00 H new ATOM 0 HG22 VAL A 9 79.769 19.684 -9.317 1.00 1.00 H new ATOM 0 HG23 VAL A 9 81.478 20.153 -9.479 1.00 1.00 H new ATOM 142 N SER A 10 83.111 16.129 -10.143 1.00 1.00 N ATOM 143 CA SER A 10 83.707 14.880 -10.591 1.00 1.00 C ATOM 144 C SER A 10 84.057 13.938 -9.440 1.00 1.00 C ATOM 145 O SER A 10 83.499 12.876 -9.340 1.00 1.00 O ATOM 146 CB SER A 10 84.977 15.191 -11.370 1.00 1.00 C ATOM 147 OG SER A 10 85.267 14.125 -12.263 1.00 1.00 O ATOM 0 H SER A 10 83.697 16.957 -10.254 1.00 1.00 H new ATOM 0 HA SER A 10 82.968 14.375 -11.212 1.00 1.00 H new ATOM 0 HB2 SER A 10 84.855 16.120 -11.926 1.00 1.00 H new ATOM 0 HB3 SER A 10 85.810 15.338 -10.682 1.00 1.00 H new ATOM 0 HG SER A 10 84.922 14.342 -13.154 1.00 1.00 H new ATOM 153 N ARG A 11 85.006 14.324 -8.611 1.00 1.00 N ATOM 154 CA ARG A 11 85.468 13.461 -7.521 1.00 1.00 C ATOM 155 C ARG A 11 84.345 13.162 -6.534 1.00 1.00 C ATOM 156 O ARG A 11 84.173 12.023 -6.115 1.00 1.00 O ATOM 157 CB ARG A 11 86.692 14.118 -6.797 1.00 1.00 C ATOM 158 CG ARG A 11 88.011 13.373 -7.068 1.00 1.00 C ATOM 159 CD ARG A 11 88.063 12.117 -6.209 1.00 1.00 C ATOM 160 NE ARG A 11 89.213 11.313 -6.577 1.00 1.00 N ATOM 161 CZ ARG A 11 90.423 11.588 -6.104 1.00 1.00 C ATOM 162 NH1 ARG A 11 90.595 12.598 -5.294 1.00 1.00 N ATOM 163 NH2 ARG A 11 91.435 10.847 -6.450 1.00 1.00 N ATOM 0 H ARG A 11 85.477 15.227 -8.664 1.00 1.00 H new ATOM 0 HA ARG A 11 85.785 12.510 -7.949 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.790 15.153 -7.124 1.00 1.00 H new ATOM 0 HB3 ARG A 11 86.505 14.140 -5.723 1.00 1.00 H new ATOM 0 HG2 ARG A 11 88.083 13.109 -8.123 1.00 1.00 H new ATOM 0 HG3 ARG A 11 88.860 14.018 -6.842 1.00 1.00 H new ATOM 0 HD2 ARG A 11 88.121 12.389 -5.155 1.00 1.00 H new ATOM 0 HD3 ARG A 11 87.148 11.539 -6.339 1.00 1.00 H new ATOM 0 HE ARG A 11 89.090 10.523 -7.210 1.00 1.00 H new ATOM 0 HH11 ARG A 11 89.799 13.176 -5.024 1.00 1.00 H new ATOM 0 HH12 ARG A 11 91.525 12.808 -4.931 1.00 1.00 H new ATOM 0 HH21 ARG A 11 91.297 10.058 -7.082 1.00 1.00 H new ATOM 0 HH22 ARG A 11 92.366 11.055 -6.089 1.00 1.00 H new ATOM 177 N ALA A 12 83.578 14.175 -6.175 1.00 1.00 N ATOM 178 CA ALA A 12 82.493 13.924 -5.231 1.00 1.00 C ATOM 179 C ALA A 12 81.397 13.117 -5.895 1.00 1.00 C ATOM 180 O ALA A 12 81.090 12.007 -5.482 1.00 1.00 O ATOM 181 CB ALA A 12 81.916 15.236 -4.708 1.00 1.00 C ATOM 0 H ALA A 12 83.673 15.137 -6.501 1.00 1.00 H new ATOM 0 HA ALA A 12 82.899 13.360 -4.391 1.00 1.00 H new ATOM 0 HB1 ALA A 12 81.109 15.025 -4.006 1.00 1.00 H new ATOM 0 HB2 ALA A 12 82.698 15.801 -4.202 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.528 15.821 -5.542 1.00 1.00 H new ATOM 187 N VAL A 13 80.837 13.674 -6.956 1.00 1.00 N ATOM 188 CA VAL A 13 79.796 12.950 -7.637 1.00 1.00 C ATOM 189 C VAL A 13 80.376 11.628 -8.047 1.00 1.00 C ATOM 190 O VAL A 13 79.848 10.602 -7.723 1.00 1.00 O ATOM 191 CB VAL A 13 79.228 13.700 -8.879 1.00 1.00 C ATOM 192 CG1 VAL A 13 78.548 12.748 -9.882 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.219 14.774 -8.448 1.00 1.00 C ATOM 0 H VAL A 13 81.077 14.586 -7.346 1.00 1.00 H new ATOM 0 HA VAL A 13 78.950 12.833 -6.959 1.00 1.00 H new ATOM 0 HB VAL A 13 80.080 14.164 -9.375 1.00 1.00 H new ATOM 0 HG11 VAL A 13 78.170 13.321 -10.728 1.00 1.00 H new ATOM 0 HG12 VAL A 13 79.272 12.014 -10.235 1.00 1.00 H new ATOM 0 HG13 VAL A 13 77.720 12.235 -9.393 1.00 1.00 H new ATOM 0 HG21 VAL A 13 77.834 15.286 -9.330 1.00 1.00 H new ATOM 0 HG22 VAL A 13 77.394 14.304 -7.912 1.00 1.00 H new ATOM 0 HG23 VAL A 13 78.712 15.495 -7.796 1.00 1.00 H new ATOM 203 N ALA A 14 81.507 11.629 -8.701 1.00 1.00 N ATOM 204 CA ALA A 14 82.003 10.325 -9.094 1.00 1.00 C ATOM 205 C ALA A 14 82.302 9.421 -7.911 1.00 1.00 C ATOM 206 O ALA A 14 81.601 8.456 -7.700 1.00 1.00 O ATOM 207 CB ALA A 14 83.252 10.436 -9.922 1.00 1.00 C ATOM 0 H ALA A 14 82.068 12.441 -8.959 1.00 1.00 H new ATOM 0 HA ALA A 14 81.198 9.881 -9.680 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.595 9.439 -10.198 1.00 1.00 H new ATOM 0 HB2 ALA A 14 83.041 11.010 -10.824 1.00 1.00 H new ATOM 0 HB3 ALA A 14 84.028 10.940 -9.345 1.00 1.00 H new ATOM 213 N ALA A 15 83.295 9.779 -7.120 1.00 1.00 N ATOM 214 CA ALA A 15 83.651 8.940 -5.983 1.00 1.00 C ATOM 215 C ALA A 15 82.405 8.643 -5.171 1.00 1.00 C ATOM 216 O ALA A 15 82.062 7.494 -4.937 1.00 1.00 O ATOM 217 CB ALA A 15 84.719 9.622 -5.106 1.00 1.00 C ATOM 0 H ALA A 15 83.859 10.621 -7.235 1.00 1.00 H new ATOM 0 HA ALA A 15 84.075 8.006 -6.351 1.00 1.00 H new ATOM 0 HB1 ALA A 15 84.967 8.975 -4.265 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.615 9.804 -5.699 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.332 10.570 -4.733 1.00 1.00 H new ATOM 223 N ALA A 16 81.720 9.665 -4.754 1.00 1.00 N ATOM 224 CA ALA A 16 80.528 9.414 -3.976 1.00 1.00 C ATOM 225 C ALA A 16 79.452 8.671 -4.814 1.00 1.00 C ATOM 226 O ALA A 16 79.007 7.587 -4.448 1.00 1.00 O ATOM 227 CB ALA A 16 79.948 10.741 -3.492 1.00 1.00 C ATOM 0 H ALA A 16 81.946 10.645 -4.926 1.00 1.00 H new ATOM 0 HA ALA A 16 80.804 8.786 -3.129 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.049 10.553 -2.905 1.00 1.00 H new ATOM 0 HB2 ALA A 16 80.684 11.256 -2.874 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.697 11.363 -4.351 1.00 1.00 H new ATOM 233 N LEU A 17 79.045 9.299 -5.909 1.00 1.00 N ATOM 234 CA LEU A 17 77.978 8.715 -6.746 1.00 1.00 C ATOM 235 C LEU A 17 78.380 7.310 -7.140 1.00 1.00 C ATOM 236 O LEU A 17 77.642 6.358 -6.894 1.00 1.00 O ATOM 237 CB LEU A 17 77.703 9.566 -7.995 1.00 1.00 C ATOM 238 CG LEU A 17 76.468 9.078 -8.793 1.00 1.00 C ATOM 239 CD1 LEU A 17 75.652 10.292 -9.307 1.00 1.00 C ATOM 240 CD2 LEU A 17 76.963 8.276 -10.016 1.00 1.00 C ATOM 0 H LEU A 17 79.418 10.188 -6.241 1.00 1.00 H new ATOM 0 HA LEU A 17 77.054 8.691 -6.168 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.550 10.603 -7.696 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.579 9.547 -8.643 1.00 1.00 H new ATOM 0 HG LEU A 17 75.840 8.464 -8.147 1.00 1.00 H new ATOM 0 HD11 LEU A 17 74.786 9.938 -9.867 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.317 10.890 -8.460 1.00 1.00 H new ATOM 0 HD13 LEU A 17 76.279 10.903 -9.957 1.00 1.00 H new ATOM 0 HD21 LEU A 17 76.107 7.924 -10.591 1.00 1.00 H new ATOM 0 HD22 LEU A 17 77.583 8.916 -10.644 1.00 1.00 H new ATOM 0 HD23 LEU A 17 77.549 7.422 -9.678 1.00 1.00 H new ATOM 252 N VAL A 18 79.553 7.192 -7.747 1.00 1.00 N ATOM 253 CA VAL A 18 80.038 5.892 -8.173 1.00 1.00 C ATOM 254 C VAL A 18 80.435 5.060 -6.968 1.00 1.00 C ATOM 255 O VAL A 18 79.942 3.949 -6.773 1.00 1.00 O ATOM 256 CB VAL A 18 81.221 6.031 -9.180 1.00 1.00 C ATOM 257 CG1 VAL A 18 80.923 7.178 -10.185 1.00 1.00 C ATOM 258 CG2 VAL A 18 82.606 6.260 -8.477 1.00 1.00 C ATOM 0 H VAL A 18 80.178 7.972 -7.952 1.00 1.00 H new ATOM 0 HA VAL A 18 79.230 5.378 -8.694 1.00 1.00 H new ATOM 0 HB VAL A 18 81.302 5.083 -9.712 1.00 1.00 H new ATOM 0 HG11 VAL A 18 81.752 7.272 -10.887 1.00 1.00 H new ATOM 0 HG12 VAL A 18 80.008 6.953 -10.733 1.00 1.00 H new ATOM 0 HG13 VAL A 18 80.800 8.115 -9.642 1.00 1.00 H new ATOM 0 HG21 VAL A 18 83.387 6.349 -9.232 1.00 1.00 H new ATOM 0 HG22 VAL A 18 82.567 7.175 -7.886 1.00 1.00 H new ATOM 0 HG23 VAL A 18 82.827 5.416 -7.824 1.00 1.00 H new ATOM 268 N GLY A 19 81.370 5.574 -6.193 1.00 1.00 N ATOM 269 CA GLY A 19 81.875 4.861 -5.053 1.00 1.00 C ATOM 270 C GLY A 19 80.774 4.533 -4.103 1.00 1.00 C ATOM 271 O GLY A 19 79.597 4.588 -4.449 1.00 1.00 O ATOM 0 H GLY A 19 81.793 6.490 -6.340 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.365 3.944 -5.380 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.630 5.463 -4.547 1.00 1.00 H new ATOM 275 N PRO A 20 81.125 4.138 -2.924 1.00 1.00 N ATOM 276 CA PRO A 20 80.142 3.737 -1.914 1.00 1.00 C ATOM 277 C PRO A 20 79.488 4.912 -1.200 1.00 1.00 C ATOM 278 O PRO A 20 78.382 4.776 -0.730 1.00 1.00 O ATOM 279 CB PRO A 20 80.948 2.861 -0.925 1.00 1.00 C ATOM 280 CG PRO A 20 82.379 2.895 -1.390 1.00 1.00 C ATOM 281 CD PRO A 20 82.492 4.041 -2.384 1.00 1.00 C ATOM 0 HA PRO A 20 79.305 3.211 -2.374 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.862 3.244 0.092 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.568 1.839 -0.914 1.00 1.00 H new ATOM 0 HG2 PRO A 20 83.055 3.045 -0.548 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.656 1.950 -1.857 1.00 1.00 H new ATOM 0 HD2 PRO A 20 82.803 4.967 -1.900 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.222 3.829 -3.165 1.00 1.00 H new ATOM 289 N GLY A 21 80.173 6.058 -1.126 1.00 1.00 N ATOM 290 CA GLY A 21 79.591 7.206 -0.409 1.00 1.00 C ATOM 291 C GLY A 21 78.302 7.686 -1.059 1.00 1.00 C ATOM 292 O GLY A 21 77.265 7.745 -0.414 1.00 1.00 O ATOM 0 H GLY A 21 81.094 6.218 -1.534 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.393 6.926 0.626 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.312 8.023 -0.386 1.00 1.00 H new ATOM 296 N GLY A 22 78.333 8.069 -2.308 1.00 1.00 N ATOM 297 CA GLY A 22 77.066 8.549 -2.877 1.00 1.00 C ATOM 298 C GLY A 22 76.063 7.434 -2.727 1.00 1.00 C ATOM 299 O GLY A 22 74.995 7.596 -2.127 1.00 1.00 O ATOM 0 H GLY A 22 79.145 8.068 -2.925 1.00 1.00 H new ATOM 0 HA2 GLY A 22 76.726 9.445 -2.359 1.00 1.00 H new ATOM 0 HA3 GLY A 22 77.191 8.816 -3.926 1.00 1.00 H new ATOM 303 N VAL A 23 76.452 6.289 -3.236 1.00 1.00 N ATOM 304 CA VAL A 23 75.594 5.128 -3.131 1.00 1.00 C ATOM 305 C VAL A 23 75.216 4.958 -1.667 1.00 1.00 C ATOM 306 O VAL A 23 74.137 4.466 -1.366 1.00 1.00 O ATOM 307 CB VAL A 23 76.241 3.841 -3.674 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.248 2.664 -3.576 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.623 4.038 -5.140 1.00 1.00 C ATOM 0 H VAL A 23 77.338 6.135 -3.718 1.00 1.00 H new ATOM 0 HA VAL A 23 74.713 5.296 -3.750 1.00 1.00 H new ATOM 0 HB VAL A 23 77.129 3.620 -3.081 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.717 1.759 -3.963 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.968 2.510 -2.534 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.357 2.890 -4.162 1.00 1.00 H new ATOM 0 HG21 VAL A 23 77.081 3.126 -5.522 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.730 4.267 -5.721 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.331 4.862 -5.224 1.00 1.00 H new ATOM 319 N ALA A 24 76.130 5.360 -0.762 1.00 1.00 N ATOM 320 CA ALA A 24 75.840 5.216 0.665 1.00 1.00 C ATOM 321 C ALA A 24 74.647 6.076 1.069 1.00 1.00 C ATOM 322 O ALA A 24 73.649 5.547 1.524 1.00 1.00 O ATOM 323 CB ALA A 24 77.023 5.647 1.540 1.00 1.00 C ATOM 0 H ALA A 24 77.037 5.770 -0.986 1.00 1.00 H new ATOM 0 HA ALA A 24 75.630 4.158 0.822 1.00 1.00 H new ATOM 0 HB1 ALA A 24 76.762 5.523 2.591 1.00 1.00 H new ATOM 0 HB2 ALA A 24 77.892 5.031 1.306 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.257 6.694 1.345 1.00 1.00 H new ATOM 329 N LEU A 25 74.761 7.388 0.962 1.00 1.00 N ATOM 330 CA LEU A 25 73.665 8.250 1.411 1.00 1.00 C ATOM 331 C LEU A 25 72.389 7.994 0.632 1.00 1.00 C ATOM 332 O LEU A 25 71.302 7.933 1.210 1.00 1.00 O ATOM 333 CB LEU A 25 74.047 9.705 1.226 1.00 1.00 C ATOM 334 CG LEU A 25 75.365 10.011 1.948 1.00 1.00 C ATOM 335 CD1 LEU A 25 75.796 11.441 1.602 1.00 1.00 C ATOM 336 CD2 LEU A 25 75.188 9.875 3.469 1.00 1.00 C ATOM 0 H LEU A 25 75.572 7.875 0.581 1.00 1.00 H new ATOM 0 HA LEU A 25 73.488 8.024 2.462 1.00 1.00 H new ATOM 0 HB2 LEU A 25 74.147 9.928 0.164 1.00 1.00 H new ATOM 0 HB3 LEU A 25 73.256 10.347 1.614 1.00 1.00 H new ATOM 0 HG LEU A 25 76.128 9.302 1.626 1.00 1.00 H new ATOM 0 HD11 LEU A 25 76.733 11.672 2.109 1.00 1.00 H new ATOM 0 HD12 LEU A 25 75.936 11.528 0.525 1.00 1.00 H new ATOM 0 HD13 LEU A 25 75.026 12.141 1.926 1.00 1.00 H new ATOM 0 HD21 LEU A 25 76.133 10.095 3.966 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.426 10.575 3.811 1.00 1.00 H new ATOM 0 HD23 LEU A 25 74.880 8.858 3.710 1.00 1.00 H new ATOM 348 N VAL A 26 72.502 7.915 -0.689 1.00 1.00 N ATOM 349 CA VAL A 26 71.314 7.737 -1.503 1.00 1.00 C ATOM 350 C VAL A 26 70.619 6.448 -1.130 1.00 1.00 C ATOM 351 O VAL A 26 69.451 6.456 -0.747 1.00 1.00 O ATOM 352 CB VAL A 26 71.751 7.653 -2.955 1.00 1.00 C ATOM 353 CG1 VAL A 26 70.549 7.354 -3.842 1.00 1.00 C ATOM 354 CG2 VAL A 26 72.397 8.973 -3.377 1.00 1.00 C ATOM 0 H VAL A 26 73.380 7.970 -1.205 1.00 1.00 H new ATOM 0 HA VAL A 26 70.629 8.570 -1.346 1.00 1.00 H new ATOM 0 HB VAL A 26 72.479 6.849 -3.064 1.00 1.00 H new ATOM 0 HG11 VAL A 26 70.870 7.295 -4.882 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.105 6.404 -3.545 1.00 1.00 H new ATOM 0 HG13 VAL A 26 69.811 8.149 -3.735 1.00 1.00 H new ATOM 0 HG21 VAL A 26 72.709 8.908 -4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 26 71.677 9.783 -3.263 1.00 1.00 H new ATOM 0 HG23 VAL A 26 73.266 9.170 -2.750 1.00 1.00 H new ATOM 364 N VAL A 27 71.307 5.334 -1.290 1.00 1.00 N ATOM 365 CA VAL A 27 70.685 4.061 -0.997 1.00 1.00 C ATOM 366 C VAL A 27 70.148 4.083 0.420 1.00 1.00 C ATOM 367 O VAL A 27 69.115 3.504 0.715 1.00 1.00 O ATOM 368 CB VAL A 27 71.701 2.906 -1.191 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.586 2.739 0.052 1.00 1.00 C ATOM 370 CG2 VAL A 27 70.974 1.577 -1.457 1.00 1.00 C ATOM 0 H VAL A 27 72.273 5.284 -1.613 1.00 1.00 H new ATOM 0 HA VAL A 27 69.857 3.892 -1.685 1.00 1.00 H new ATOM 0 HB VAL A 27 72.322 3.163 -2.049 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.290 1.923 -0.110 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.136 3.662 0.233 1.00 1.00 H new ATOM 0 HG13 VAL A 27 71.961 2.513 0.916 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.707 0.781 -1.590 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.330 1.339 -0.611 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.369 1.667 -2.359 1.00 1.00 H new ATOM 380 N LYS A 28 70.880 4.734 1.298 1.00 1.00 N ATOM 381 CA LYS A 28 70.464 4.758 2.693 1.00 1.00 C ATOM 382 C LYS A 28 69.167 5.523 2.852 1.00 1.00 C ATOM 383 O LYS A 28 68.194 5.027 3.429 1.00 1.00 O ATOM 384 CB LYS A 28 71.568 5.401 3.534 1.00 1.00 C ATOM 385 CG LYS A 28 71.347 5.173 5.043 1.00 1.00 C ATOM 386 CD LYS A 28 70.621 6.376 5.684 1.00 1.00 C ATOM 387 CE LYS A 28 71.648 7.416 6.147 1.00 1.00 C ATOM 388 NZ LYS A 28 72.540 6.791 7.161 1.00 1.00 N ATOM 0 H LYS A 28 71.740 5.240 1.086 1.00 1.00 H new ATOM 0 HA LYS A 28 70.294 3.737 3.034 1.00 1.00 H new ATOM 0 HB2 LYS A 28 72.534 4.989 3.242 1.00 1.00 H new ATOM 0 HB3 LYS A 28 71.603 6.471 3.330 1.00 1.00 H new ATOM 0 HG2 LYS A 28 70.761 4.267 5.195 1.00 1.00 H new ATOM 0 HG3 LYS A 28 72.307 5.018 5.536 1.00 1.00 H new ATOM 0 HD2 LYS A 28 69.935 6.824 4.965 1.00 1.00 H new ATOM 0 HD3 LYS A 28 70.021 6.042 6.531 1.00 1.00 H new ATOM 0 HE2 LYS A 28 72.232 7.773 5.299 1.00 1.00 H new ATOM 0 HE3 LYS A 28 71.142 8.283 6.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 72.816 7.503 7.867 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 72.037 6.013 7.633 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 73.391 6.420 6.693 1.00 1.00 H new ATOM 402 N VAL A 29 69.193 6.749 2.381 1.00 1.00 N ATOM 403 CA VAL A 29 68.034 7.621 2.513 1.00 1.00 C ATOM 404 C VAL A 29 66.865 7.047 1.758 1.00 1.00 C ATOM 405 O VAL A 29 65.753 6.966 2.283 1.00 1.00 O ATOM 406 CB VAL A 29 68.318 9.031 1.991 1.00 1.00 C ATOM 407 CG1 VAL A 29 67.030 9.873 2.029 1.00 1.00 C ATOM 408 CG2 VAL A 29 69.386 9.713 2.852 1.00 1.00 C ATOM 0 H VAL A 29 69.993 7.168 1.906 1.00 1.00 H new ATOM 0 HA VAL A 29 67.801 7.688 3.576 1.00 1.00 H new ATOM 0 HB VAL A 29 68.678 8.953 0.965 1.00 1.00 H new ATOM 0 HG11 VAL A 29 67.240 10.876 1.656 1.00 1.00 H new ATOM 0 HG12 VAL A 29 66.270 9.404 1.403 1.00 1.00 H new ATOM 0 HG13 VAL A 29 66.667 9.936 3.055 1.00 1.00 H new ATOM 0 HG21 VAL A 29 69.577 10.715 2.468 1.00 1.00 H new ATOM 0 HG22 VAL A 29 69.035 9.780 3.882 1.00 1.00 H new ATOM 0 HG23 VAL A 29 70.307 9.130 2.819 1.00 1.00 H new ATOM 418 N CYS A 30 67.089 6.681 0.507 1.00 1.00 N ATOM 419 CA CYS A 30 66.007 6.152 -0.287 1.00 1.00 C ATOM 420 C CYS A 30 65.548 4.836 0.300 1.00 1.00 C ATOM 421 O CYS A 30 64.379 4.681 0.659 1.00 1.00 O ATOM 422 CB CYS A 30 66.532 5.936 -1.709 1.00 1.00 C ATOM 423 SG CYS A 30 65.421 4.850 -2.638 1.00 1.00 S ATOM 0 H CYS A 30 67.990 6.740 0.033 1.00 1.00 H new ATOM 0 HA CYS A 30 65.163 6.841 -0.298 1.00 1.00 H new ATOM 0 HB2 CYS A 30 66.623 6.895 -2.219 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.530 5.499 -1.672 1.00 1.00 H new ATOM 428 N ALA A 31 66.443 3.860 0.326 1.00 1.00 N ATOM 429 CA ALA A 31 66.081 2.536 0.793 1.00 1.00 C ATOM 430 C ALA A 31 65.418 2.614 2.136 1.00 1.00 C ATOM 431 O ALA A 31 64.378 2.002 2.371 1.00 1.00 O ATOM 432 CB ALA A 31 67.304 1.623 0.891 1.00 1.00 C ATOM 0 H ALA A 31 67.415 3.960 0.032 1.00 1.00 H new ATOM 0 HA ALA A 31 65.387 2.115 0.065 1.00 1.00 H new ATOM 0 HB1 ALA A 31 66.996 0.639 1.244 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.767 1.528 -0.091 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.022 2.051 1.590 1.00 1.00 H new ATOM 438 N GLY A 32 66.024 3.386 3.015 1.00 1.00 N ATOM 439 CA GLY A 32 65.486 3.545 4.344 1.00 1.00 C ATOM 440 C GLY A 32 65.577 2.229 5.091 1.00 1.00 C ATOM 441 O GLY A 32 64.577 1.569 5.386 1.00 1.00 O ATOM 0 H GLY A 32 66.881 3.907 2.833 1.00 1.00 H new ATOM 0 HA2 GLY A 32 66.037 4.318 4.880 1.00 1.00 H new ATOM 0 HA3 GLY A 32 64.448 3.873 4.290 1.00 1.00 H new ATOM 445 N LEU A 33 66.824 1.861 5.343 1.00 1.00 N ATOM 446 CA LEU A 33 67.148 0.620 6.022 1.00 1.00 C ATOM 447 C LEU A 33 67.136 -0.519 4.983 1.00 1.00 C ATOM 448 O LEU A 33 66.071 -0.942 4.542 1.00 1.00 O ATOM 449 CB LEU A 33 66.108 0.356 7.136 1.00 1.00 C ATOM 450 CG LEU A 33 66.726 -0.409 8.355 1.00 1.00 C ATOM 451 CD1 LEU A 33 66.518 0.409 9.640 1.00 1.00 C ATOM 452 CD2 LEU A 33 66.036 -1.775 8.530 1.00 1.00 C ATOM 0 H LEU A 33 67.639 2.416 5.082 1.00 1.00 H new ATOM 0 HA LEU A 33 68.134 0.679 6.482 1.00 1.00 H new ATOM 0 HB2 LEU A 33 65.695 1.305 7.477 1.00 1.00 H new ATOM 0 HB3 LEU A 33 65.280 -0.224 6.728 1.00 1.00 H new ATOM 0 HG LEU A 33 67.790 -0.554 8.169 1.00 1.00 H new ATOM 0 HD11 LEU A 33 66.949 -0.126 10.486 1.00 1.00 H new ATOM 0 HD12 LEU A 33 67.006 1.378 9.537 1.00 1.00 H new ATOM 0 HD13 LEU A 33 65.451 0.556 9.809 1.00 1.00 H new ATOM 0 HD21 LEU A 33 66.474 -2.298 9.380 1.00 1.00 H new ATOM 0 HD22 LEU A 33 64.971 -1.625 8.706 1.00 1.00 H new ATOM 0 HD23 LEU A 33 66.174 -2.371 7.628 1.00 1.00 H new ATOM 464 N PRO A 34 68.285 -1.001 4.557 1.00 1.00 N ATOM 465 CA PRO A 34 68.371 -2.081 3.521 1.00 1.00 C ATOM 466 C PRO A 34 67.459 -3.288 3.789 1.00 1.00 C ATOM 467 O PRO A 34 67.202 -4.073 2.879 1.00 1.00 O ATOM 468 CB PRO A 34 69.846 -2.506 3.545 1.00 1.00 C ATOM 469 CG PRO A 34 70.598 -1.332 4.090 1.00 1.00 C ATOM 470 CD PRO A 34 69.629 -0.570 5.000 1.00 1.00 C ATOM 0 HA PRO A 34 68.032 -1.706 2.555 1.00 1.00 H new ATOM 0 HB2 PRO A 34 69.989 -3.387 4.170 1.00 1.00 H new ATOM 0 HB3 PRO A 34 70.195 -2.765 2.545 1.00 1.00 H new ATOM 0 HG2 PRO A 34 71.475 -1.660 4.648 1.00 1.00 H new ATOM 0 HG3 PRO A 34 70.954 -0.692 3.283 1.00 1.00 H new ATOM 0 HD2 PRO A 34 69.797 -0.812 6.049 1.00 1.00 H new ATOM 0 HD3 PRO A 34 69.754 0.508 4.898 1.00 1.00 H new ATOM 478 N GLY A 35 67.021 -3.481 5.032 1.00 1.00 N ATOM 479 CA GLY A 35 66.210 -4.672 5.308 1.00 1.00 C ATOM 480 C GLY A 35 64.855 -4.616 4.626 1.00 1.00 C ATOM 481 O GLY A 35 64.543 -5.470 3.793 1.00 1.00 O ATOM 0 H GLY A 35 67.199 -2.867 5.827 1.00 1.00 H new ATOM 0 HA2 GLY A 35 66.746 -5.560 4.973 1.00 1.00 H new ATOM 0 HA3 GLY A 35 66.069 -4.772 6.384 1.00 1.00 H new ATOM 485 N VAL A 36 64.031 -3.644 4.983 1.00 1.00 N ATOM 486 CA VAL A 36 62.716 -3.551 4.380 1.00 1.00 C ATOM 487 C VAL A 36 62.869 -2.928 3.014 1.00 1.00 C ATOM 488 O VAL A 36 63.932 -3.025 2.432 1.00 1.00 O ATOM 489 CB VAL A 36 61.784 -2.715 5.257 1.00 1.00 C ATOM 490 CG1 VAL A 36 61.504 -3.482 6.549 1.00 1.00 C ATOM 491 CG2 VAL A 36 62.454 -1.380 5.584 1.00 1.00 C ATOM 0 H VAL A 36 64.245 -2.923 5.673 1.00 1.00 H new ATOM 0 HA VAL A 36 62.274 -4.543 4.286 1.00 1.00 H new ATOM 0 HB VAL A 36 60.848 -2.525 4.732 1.00 1.00 H new ATOM 0 HG11 VAL A 36 60.840 -2.895 7.184 1.00 1.00 H new ATOM 0 HG12 VAL A 36 61.031 -4.435 6.311 1.00 1.00 H new ATOM 0 HG13 VAL A 36 62.441 -3.663 7.075 1.00 1.00 H new ATOM 0 HG21 VAL A 36 61.790 -0.783 6.209 1.00 1.00 H new ATOM 0 HG22 VAL A 36 63.387 -1.562 6.116 1.00 1.00 H new ATOM 0 HG23 VAL A 36 62.663 -0.842 4.660 1.00 1.00 H new ATOM 501 N ILE A 37 61.819 -2.284 2.539 1.00 1.00 N ATOM 502 CA ILE A 37 61.832 -1.614 1.240 1.00 1.00 C ATOM 503 C ILE A 37 61.783 -2.614 0.095 1.00 1.00 C ATOM 504 O ILE A 37 62.775 -2.893 -0.558 1.00 1.00 O ATOM 505 CB ILE A 37 63.063 -0.652 1.119 1.00 1.00 C ATOM 506 CG1 ILE A 37 62.655 0.589 0.309 1.00 1.00 C ATOM 507 CG2 ILE A 37 64.323 -1.281 0.450 1.00 1.00 C ATOM 508 CD1 ILE A 37 62.070 0.177 -1.045 1.00 1.00 C ATOM 0 H ILE A 37 60.932 -2.207 3.037 1.00 1.00 H new ATOM 0 HA ILE A 37 60.930 -1.006 1.169 1.00 1.00 H new ATOM 0 HB ILE A 37 63.346 -0.407 2.143 1.00 1.00 H new ATOM 0 HG12 ILE A 37 61.921 1.170 0.867 1.00 1.00 H new ATOM 0 HG13 ILE A 37 63.522 1.232 0.157 1.00 1.00 H new ATOM 0 HG21 ILE A 37 65.122 -0.541 0.411 1.00 1.00 H new ATOM 0 HG22 ILE A 37 64.653 -2.141 1.033 1.00 1.00 H new ATOM 0 HG23 ILE A 37 64.076 -1.602 -0.562 1.00 1.00 H new ATOM 0 HD11 ILE A 37 61.787 1.068 -1.605 1.00 1.00 H new ATOM 0 HD12 ILE A 37 62.816 -0.384 -1.608 1.00 1.00 H new ATOM 0 HD13 ILE A 37 61.190 -0.447 -0.887 1.00 1.00 H new ATOM 520 N HIS A 38 60.609 -3.169 -0.178 1.00 1.00 N ATOM 521 CA HIS A 38 60.500 -4.121 -1.269 1.00 1.00 C ATOM 522 C HIS A 38 59.232 -3.874 -2.015 1.00 1.00 C ATOM 523 O HIS A 38 58.190 -3.653 -1.408 1.00 1.00 O ATOM 524 CB HIS A 38 60.554 -5.540 -0.720 1.00 1.00 C ATOM 525 CG HIS A 38 60.677 -6.503 -1.859 1.00 1.00 C ATOM 526 ND1 HIS A 38 60.884 -6.079 -3.160 1.00 1.00 N ATOM 527 CD2 HIS A 38 60.622 -7.870 -1.911 1.00 1.00 C ATOM 528 CE1 HIS A 38 60.941 -7.172 -3.936 1.00 1.00 C ATOM 529 NE2 HIS A 38 60.787 -8.293 -3.225 1.00 1.00 N ATOM 0 H HIS A 38 59.743 -2.982 0.327 1.00 1.00 H new ATOM 0 HA HIS A 38 61.334 -3.996 -1.959 1.00 1.00 H new ATOM 0 HB2 HIS A 38 61.401 -5.649 -0.043 1.00 1.00 H new ATOM 0 HB3 HIS A 38 59.655 -5.754 -0.142 1.00 1.00 H new ATOM 0 HD2 HIS A 38 60.473 -8.520 -1.061 1.00 1.00 H new ATOM 0 HE1 HIS A 38 61.093 -7.149 -5.005 1.00 1.00 H new ATOM 0 HE2 HIS A 38 60.790 -9.252 -3.572 1.00 1.00 H new ATOM 537 N THR A 39 59.317 -3.889 -3.343 1.00 1.00 N ATOM 538 CA THR A 39 58.143 -3.636 -4.157 1.00 1.00 C ATOM 539 C THR A 39 57.786 -4.886 -4.962 1.00 1.00 C ATOM 540 O THR A 39 58.659 -5.479 -5.595 1.00 1.00 O ATOM 541 CB THR A 39 58.398 -2.461 -5.115 1.00 1.00 C ATOM 542 OG1 THR A 39 59.119 -1.445 -4.434 1.00 1.00 O ATOM 543 CG2 THR A 39 57.057 -1.894 -5.603 1.00 1.00 C ATOM 0 H THR A 39 60.173 -4.071 -3.866 1.00 1.00 H new ATOM 0 HA THR A 39 57.313 -3.381 -3.498 1.00 1.00 H new ATOM 0 HB THR A 39 58.977 -2.810 -5.970 1.00 1.00 H new ATOM 0 HG1 THR A 39 59.284 -0.696 -5.044 1.00 1.00 H new ATOM 0 HG21 THR A 39 57.240 -1.061 -6.282 1.00 1.00 H new ATOM 0 HG22 THR A 39 56.501 -2.673 -6.125 1.00 1.00 H new ATOM 0 HG23 THR A 39 56.477 -1.545 -4.749 1.00 1.00 H new ATOM 551 N PRO A 40 56.538 -5.296 -4.970 1.00 1.00 N ATOM 552 CA PRO A 40 56.104 -6.499 -5.742 1.00 1.00 C ATOM 553 C PRO A 40 56.327 -6.331 -7.248 1.00 1.00 C ATOM 554 O PRO A 40 56.325 -7.308 -7.996 1.00 1.00 O ATOM 555 CB PRO A 40 54.592 -6.624 -5.416 1.00 1.00 C ATOM 556 CG PRO A 40 54.174 -5.276 -4.925 1.00 1.00 C ATOM 557 CD PRO A 40 55.400 -4.683 -4.245 1.00 1.00 C ATOM 0 HA PRO A 40 56.676 -7.386 -5.470 1.00 1.00 H new ATOM 0 HB2 PRO A 40 54.023 -6.913 -6.300 1.00 1.00 H new ATOM 0 HB3 PRO A 40 54.416 -7.389 -4.659 1.00 1.00 H new ATOM 0 HG2 PRO A 40 53.841 -4.646 -5.750 1.00 1.00 H new ATOM 0 HG3 PRO A 40 53.340 -5.355 -4.228 1.00 1.00 H new ATOM 0 HD2 PRO A 40 55.414 -3.596 -4.324 1.00 1.00 H new ATOM 0 HD3 PRO A 40 55.425 -4.926 -3.183 1.00 1.00 H new ATOM 565 N ALA A 41 56.557 -5.092 -7.686 1.00 1.00 N ATOM 566 CA ALA A 41 56.820 -4.804 -9.101 1.00 1.00 C ATOM 567 C ALA A 41 58.091 -3.968 -9.250 1.00 1.00 C ATOM 568 O ALA A 41 58.271 -2.989 -8.523 1.00 1.00 O ATOM 569 CB ALA A 41 55.606 -4.095 -9.718 1.00 1.00 C ATOM 0 H ALA A 41 56.567 -4.270 -7.082 1.00 1.00 H new ATOM 0 HA ALA A 41 56.979 -5.740 -9.636 1.00 1.00 H new ATOM 0 HB1 ALA A 41 55.804 -3.882 -10.769 1.00 1.00 H new ATOM 0 HB2 ALA A 41 54.729 -4.738 -9.637 1.00 1.00 H new ATOM 0 HB3 ALA A 41 55.422 -3.161 -9.187 1.00 1.00 H new ATOM 575 N ARG A 42 58.955 -4.321 -10.195 1.00 1.00 N ATOM 576 CA ARG A 42 60.180 -3.547 -10.411 1.00 1.00 C ATOM 577 C ARG A 42 60.930 -4.036 -11.651 1.00 1.00 C ATOM 578 O ARG A 42 60.564 -5.048 -12.249 1.00 1.00 O ATOM 579 CB ARG A 42 61.079 -3.637 -9.166 1.00 1.00 C ATOM 580 CG ARG A 42 62.377 -2.841 -9.376 1.00 1.00 C ATOM 581 CD ARG A 42 63.125 -2.727 -8.057 1.00 1.00 C ATOM 582 NE ARG A 42 63.455 -4.059 -7.579 1.00 1.00 N ATOM 583 CZ ARG A 42 64.359 -4.238 -6.632 1.00 1.00 C ATOM 584 NH1 ARG A 42 64.995 -3.213 -6.143 1.00 1.00 N ATOM 585 NH2 ARG A 42 64.625 -5.442 -6.202 1.00 1.00 N ATOM 0 H ARG A 42 58.838 -5.122 -10.815 1.00 1.00 H new ATOM 0 HA ARG A 42 59.906 -2.505 -10.579 1.00 1.00 H new ATOM 0 HB2 ARG A 42 60.546 -3.251 -8.297 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.316 -4.680 -8.957 1.00 1.00 H new ATOM 0 HG2 ARG A 42 63.003 -3.336 -10.119 1.00 1.00 H new ATOM 0 HG3 ARG A 42 62.148 -1.848 -9.763 1.00 1.00 H new ATOM 0 HD2 ARG A 42 64.034 -2.140 -8.190 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.513 -2.205 -7.322 1.00 1.00 H new ATOM 0 HE ARG A 42 62.982 -4.868 -7.981 1.00 1.00 H new ATOM 0 HH11 ARG A 42 64.795 -2.275 -6.491 1.00 1.00 H new ATOM 0 HH12 ARG A 42 65.693 -3.348 -5.412 1.00 1.00 H new ATOM 0 HH21 ARG A 42 64.135 -6.245 -6.597 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.323 -5.580 -5.471 1.00 1.00 H new ATOM 599 N ARG A 43 61.997 -3.328 -12.012 1.00 1.00 N ATOM 600 CA ARG A 43 62.783 -3.745 -13.160 1.00 1.00 C ATOM 601 C ARG A 43 63.264 -5.183 -12.900 1.00 1.00 C ATOM 602 O ARG A 43 63.169 -6.040 -13.781 1.00 1.00 O ATOM 603 CB ARG A 43 63.985 -2.808 -13.327 1.00 1.00 C ATOM 604 CG ARG A 43 64.765 -3.185 -14.581 1.00 1.00 C ATOM 605 CD ARG A 43 65.981 -2.266 -14.721 1.00 1.00 C ATOM 606 NE ARG A 43 66.715 -2.598 -15.934 1.00 1.00 N ATOM 607 CZ ARG A 43 67.409 -3.726 -16.025 1.00 1.00 C ATOM 608 NH1 ARG A 43 67.433 -4.562 -15.022 1.00 1.00 N ATOM 609 NH2 ARG A 43 68.060 -4.002 -17.120 1.00 1.00 N ATOM 0 H ARG A 43 62.327 -2.487 -11.539 1.00 1.00 H new ATOM 0 HA ARG A 43 62.187 -3.706 -14.072 1.00 1.00 H new ATOM 0 HB2 ARG A 43 63.645 -1.775 -13.396 1.00 1.00 H new ATOM 0 HB3 ARG A 43 64.632 -2.873 -12.452 1.00 1.00 H new ATOM 0 HG2 ARG A 43 65.086 -4.225 -14.523 1.00 1.00 H new ATOM 0 HG3 ARG A 43 64.126 -3.097 -15.460 1.00 1.00 H new ATOM 0 HD2 ARG A 43 65.659 -1.225 -14.753 1.00 1.00 H new ATOM 0 HD3 ARG A 43 66.630 -2.372 -13.852 1.00 1.00 H new ATOM 0 HE ARG A 43 66.696 -1.955 -16.725 1.00 1.00 H new ATOM 0 HH11 ARG A 43 66.918 -4.349 -14.168 1.00 1.00 H new ATOM 0 HH12 ARG A 43 67.967 -5.428 -15.093 1.00 1.00 H new ATOM 0 HH21 ARG A 43 68.036 -3.352 -17.905 1.00 1.00 H new ATOM 0 HH22 ARG A 43 68.594 -4.868 -17.191 1.00 1.00 H new ATOM 623 N GLY A 44 63.780 -5.445 -11.676 1.00 1.00 N ATOM 624 CA GLY A 44 64.271 -6.790 -11.297 1.00 1.00 C ATOM 625 C GLY A 44 65.747 -6.788 -10.874 1.00 1.00 C ATOM 626 O GLY A 44 66.186 -7.652 -10.116 1.00 1.00 O ATOM 0 H GLY A 44 63.867 -4.746 -10.938 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.664 -7.176 -10.478 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.140 -7.470 -12.139 1.00 1.00 H new ATOM 630 N PHE A 45 66.499 -5.831 -11.347 1.00 1.00 N ATOM 631 CA PHE A 45 67.912 -5.743 -10.992 1.00 1.00 C ATOM 632 C PHE A 45 68.365 -4.337 -11.221 1.00 1.00 C ATOM 633 O PHE A 45 67.636 -3.568 -11.832 1.00 1.00 O ATOM 634 CB PHE A 45 68.758 -6.691 -11.873 1.00 1.00 C ATOM 635 CG PHE A 45 69.155 -7.906 -11.096 1.00 1.00 C ATOM 636 CD1 PHE A 45 68.319 -9.016 -11.078 1.00 1.00 C ATOM 637 CD2 PHE A 45 70.352 -7.905 -10.379 1.00 1.00 C ATOM 638 CE1 PHE A 45 68.678 -10.142 -10.339 1.00 1.00 C ATOM 639 CE2 PHE A 45 70.716 -9.027 -9.636 1.00 1.00 C ATOM 640 CZ PHE A 45 69.878 -10.148 -9.615 1.00 1.00 C ATOM 0 H PHE A 45 66.170 -5.099 -11.977 1.00 1.00 H new ATOM 0 HA PHE A 45 68.039 -6.031 -9.949 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.188 -6.985 -12.754 1.00 1.00 H new ATOM 0 HB3 PHE A 45 69.648 -6.171 -12.228 1.00 1.00 H new ATOM 0 HD1 PHE A 45 67.394 -9.006 -11.635 1.00 1.00 H new ATOM 0 HD2 PHE A 45 70.995 -7.037 -10.400 1.00 1.00 H new ATOM 0 HE1 PHE A 45 68.033 -11.008 -10.324 1.00 1.00 H new ATOM 0 HE2 PHE A 45 71.641 -9.031 -9.079 1.00 1.00 H new ATOM 0 HZ PHE A 45 70.157 -11.019 -9.040 1.00 1.00 H new ATOM 650 N PHE A 46 69.552 -4.021 -10.707 1.00 1.00 N ATOM 651 CA PHE A 46 70.174 -2.693 -10.837 1.00 1.00 C ATOM 652 C PHE A 46 70.143 -1.928 -9.506 1.00 1.00 C ATOM 653 O PHE A 46 69.071 -1.627 -8.989 1.00 1.00 O ATOM 654 CB PHE A 46 69.499 -1.800 -11.937 1.00 1.00 C ATOM 655 CG PHE A 46 70.500 -1.279 -12.910 1.00 1.00 C ATOM 656 CD1 PHE A 46 71.107 -2.175 -13.777 1.00 1.00 C ATOM 657 CD2 PHE A 46 70.775 0.089 -12.992 1.00 1.00 C ATOM 658 CE1 PHE A 46 71.996 -1.717 -14.734 1.00 1.00 C ATOM 659 CE2 PHE A 46 71.671 0.555 -13.942 1.00 1.00 C ATOM 660 CZ PHE A 46 72.283 -0.348 -14.821 1.00 1.00 C ATOM 0 H PHE A 46 70.121 -4.684 -10.181 1.00 1.00 H new ATOM 0 HA PHE A 46 71.204 -2.888 -11.137 1.00 1.00 H new ATOM 0 HB2 PHE A 46 68.745 -2.382 -12.466 1.00 1.00 H new ATOM 0 HB3 PHE A 46 68.983 -0.965 -11.463 1.00 1.00 H new ATOM 0 HD1 PHE A 46 70.886 -3.230 -13.706 1.00 1.00 H new ATOM 0 HD2 PHE A 46 70.291 0.780 -12.318 1.00 1.00 H new ATOM 0 HE1 PHE A 46 72.467 -2.413 -15.412 1.00 1.00 H new ATOM 0 HE2 PHE A 46 71.896 1.609 -14.004 1.00 1.00 H new ATOM 0 HZ PHE A 46 72.977 0.011 -15.567 1.00 1.00 H new ATOM 670 N ARG A 47 71.332 -1.638 -8.968 1.00 1.00 N ATOM 671 CA ARG A 47 71.479 -0.894 -7.698 1.00 1.00 C ATOM 672 C ARG A 47 71.516 -1.842 -6.496 1.00 1.00 C ATOM 673 O ARG A 47 71.011 -2.959 -6.567 1.00 1.00 O ATOM 674 CB ARG A 47 70.322 0.138 -7.492 1.00 1.00 C ATOM 675 CG ARG A 47 69.263 -0.410 -6.503 1.00 1.00 C ATOM 676 CD ARG A 47 67.975 0.395 -6.570 1.00 1.00 C ATOM 677 NE ARG A 47 67.047 -0.119 -5.577 1.00 1.00 N ATOM 678 CZ ARG A 47 67.130 0.258 -4.312 1.00 1.00 C ATOM 679 NH1 ARG A 47 68.083 1.069 -3.941 1.00 1.00 N ATOM 680 NH2 ARG A 47 66.272 -0.193 -3.444 1.00 1.00 N ATOM 0 H ARG A 47 72.219 -1.908 -9.392 1.00 1.00 H new ATOM 0 HA ARG A 47 72.425 -0.357 -7.765 1.00 1.00 H new ATOM 0 HB2 ARG A 47 70.729 1.076 -7.113 1.00 1.00 H new ATOM 0 HB3 ARG A 47 69.851 0.359 -8.450 1.00 1.00 H new ATOM 0 HG2 ARG A 47 69.054 -1.455 -6.733 1.00 1.00 H new ATOM 0 HG3 ARG A 47 69.660 -0.381 -5.488 1.00 1.00 H new ATOM 0 HD2 ARG A 47 68.179 1.450 -6.385 1.00 1.00 H new ATOM 0 HD3 ARG A 47 67.538 0.325 -7.566 1.00 1.00 H new ATOM 0 HE ARG A 47 66.322 -0.779 -5.859 1.00 1.00 H new ATOM 0 HH11 ARG A 47 68.759 1.409 -4.625 1.00 1.00 H new ATOM 0 HH12 ARG A 47 68.152 1.363 -2.967 1.00 1.00 H new ATOM 0 HH21 ARG A 47 65.537 -0.836 -3.740 1.00 1.00 H new ATOM 0 HH22 ARG A 47 66.334 0.096 -2.468 1.00 1.00 H new ATOM 694 N CYS A 48 72.113 -1.375 -5.396 1.00 1.00 N ATOM 695 CA CYS A 48 72.191 -2.183 -4.185 1.00 1.00 C ATOM 696 C CYS A 48 72.966 -3.448 -4.462 1.00 1.00 C ATOM 697 O CYS A 48 72.416 -4.543 -4.434 1.00 1.00 O ATOM 698 CB CYS A 48 70.783 -2.548 -3.699 1.00 1.00 C ATOM 699 SG CYS A 48 70.868 -3.344 -2.076 1.00 1.00 S ATOM 0 H CYS A 48 72.543 -0.453 -5.323 1.00 1.00 H new ATOM 0 HA CYS A 48 72.698 -1.605 -3.413 1.00 1.00 H new ATOM 0 HB2 CYS A 48 70.167 -1.651 -3.640 1.00 1.00 H new ATOM 0 HB3 CYS A 48 70.305 -3.216 -4.415 1.00 1.00 H new ATOM 704 N ASN A 49 74.249 -3.293 -4.707 1.00 1.00 N ATOM 705 CA ASN A 49 75.098 -4.440 -4.970 1.00 1.00 C ATOM 706 C ASN A 49 76.514 -4.144 -4.484 1.00 1.00 C ATOM 707 O ASN A 49 76.866 -2.977 -4.351 1.00 1.00 O ATOM 708 CB ASN A 49 75.097 -4.741 -6.479 1.00 1.00 C ATOM 709 CG ASN A 49 74.988 -3.443 -7.268 1.00 1.00 C ATOM 710 OD1 ASN A 49 75.602 -2.376 -6.832 1.00 1.00 O flip ATOM 711 ND2 ASN A 49 74.326 -3.397 -8.303 1.00 1.00 N flip ATOM 0 H ASN A 49 74.727 -2.392 -4.730 1.00 1.00 H new ATOM 0 HA ASN A 49 74.719 -5.313 -4.438 1.00 1.00 H new ATOM 0 HB2 ASN A 49 76.011 -5.268 -6.754 1.00 1.00 H new ATOM 0 HB3 ASN A 49 74.263 -5.398 -6.727 1.00 1.00 H new ATOM 0 HD21 ASN A 49 73.848 -4.233 -8.640 1.00 1.00 H new ATOM 0 HD22 ASN A 49 74.255 -2.523 -8.824 1.00 1.00 H new ATOM 718 N PRO A 50 77.318 -5.172 -4.244 1.00 1.00 N ATOM 719 CA PRO A 50 78.759 -5.034 -3.811 1.00 1.00 C ATOM 720 C PRO A 50 79.586 -4.044 -4.679 1.00 1.00 C ATOM 721 O PRO A 50 80.669 -4.375 -5.174 1.00 1.00 O ATOM 722 CB PRO A 50 79.322 -6.485 -3.913 1.00 1.00 C ATOM 723 CG PRO A 50 78.242 -7.314 -4.552 1.00 1.00 C ATOM 724 CD PRO A 50 76.930 -6.595 -4.309 1.00 1.00 C ATOM 0 HA PRO A 50 78.826 -4.610 -2.809 1.00 1.00 H new ATOM 0 HB2 PRO A 50 80.234 -6.507 -4.510 1.00 1.00 H new ATOM 0 HB3 PRO A 50 79.578 -6.873 -2.927 1.00 1.00 H new ATOM 0 HG2 PRO A 50 78.426 -7.430 -5.620 1.00 1.00 H new ATOM 0 HG3 PRO A 50 78.219 -8.315 -4.122 1.00 1.00 H new ATOM 0 HD2 PRO A 50 76.217 -6.779 -5.113 1.00 1.00 H new ATOM 0 HD3 PRO A 50 76.458 -6.924 -3.383 1.00 1.00 H new ATOM 732 N GLU A 51 79.081 -2.820 -4.824 1.00 1.00 N ATOM 733 CA GLU A 51 79.766 -1.776 -5.574 1.00 1.00 C ATOM 734 C GLU A 51 80.368 -2.315 -6.880 1.00 1.00 C ATOM 735 O GLU A 51 81.578 -2.227 -7.112 1.00 1.00 O ATOM 736 CB GLU A 51 80.839 -1.146 -4.662 1.00 1.00 C ATOM 737 CG GLU A 51 80.332 0.201 -4.128 1.00 1.00 C ATOM 738 CD GLU A 51 80.391 1.237 -5.239 1.00 1.00 C ATOM 739 OE1 GLU A 51 80.967 0.937 -6.271 1.00 1.00 O ATOM 740 OE2 GLU A 51 79.856 2.310 -5.047 1.00 1.00 O ATOM 0 H GLU A 51 78.189 -2.528 -4.425 1.00 1.00 H new ATOM 0 HA GLU A 51 79.049 -1.010 -5.871 1.00 1.00 H new ATOM 0 HB2 GLU A 51 81.065 -1.816 -3.833 1.00 1.00 H new ATOM 0 HB3 GLU A 51 81.766 -1.003 -5.218 1.00 1.00 H new ATOM 0 HG2 GLU A 51 79.310 0.099 -3.764 1.00 1.00 H new ATOM 0 HG3 GLU A 51 80.941 0.522 -3.283 1.00 1.00 H new ATOM 747 N ARG A 52 79.521 -2.886 -7.726 1.00 1.00 N ATOM 748 CA ARG A 52 79.986 -3.417 -9.005 1.00 1.00 C ATOM 749 C ARG A 52 78.861 -3.485 -10.021 1.00 1.00 C ATOM 750 O ARG A 52 77.690 -3.371 -9.667 1.00 1.00 O ATOM 751 CB ARG A 52 80.553 -4.804 -8.808 1.00 1.00 C ATOM 752 CG ARG A 52 79.473 -5.702 -8.203 1.00 1.00 C ATOM 753 CD ARG A 52 79.993 -7.127 -8.156 1.00 1.00 C ATOM 754 NE ARG A 52 80.022 -7.693 -9.506 1.00 1.00 N ATOM 755 CZ ARG A 52 79.212 -8.693 -9.881 1.00 1.00 C ATOM 756 NH1 ARG A 52 78.332 -9.203 -9.052 1.00 1.00 N ATOM 757 NH2 ARG A 52 79.301 -9.175 -11.086 1.00 1.00 N ATOM 0 H ARG A 52 78.521 -2.994 -7.556 1.00 1.00 H new ATOM 0 HA ARG A 52 80.755 -2.744 -9.383 1.00 1.00 H new ATOM 0 HB2 ARG A 52 80.891 -5.211 -9.761 1.00 1.00 H new ATOM 0 HB3 ARG A 52 81.422 -4.766 -8.151 1.00 1.00 H new ATOM 0 HG2 ARG A 52 79.216 -5.361 -7.200 1.00 1.00 H new ATOM 0 HG3 ARG A 52 78.562 -5.652 -8.800 1.00 1.00 H new ATOM 0 HD2 ARG A 52 80.994 -7.144 -7.724 1.00 1.00 H new ATOM 0 HD3 ARG A 52 79.357 -7.734 -7.512 1.00 1.00 H new ATOM 0 HE ARG A 52 80.682 -7.313 -10.185 1.00 1.00 H new ATOM 0 HH11 ARG A 52 78.255 -8.839 -8.102 1.00 1.00 H new ATOM 0 HH12 ARG A 52 77.725 -9.964 -9.357 1.00 1.00 H new ATOM 0 HH21 ARG A 52 79.984 -8.792 -11.739 1.00 1.00 H new ATOM 0 HH22 ARG A 52 78.688 -9.936 -11.377 1.00 1.00 H new ATOM 771 N ILE A 53 79.220 -3.734 -11.278 1.00 1.00 N ATOM 772 CA ILE A 53 78.228 -3.896 -12.337 1.00 1.00 C ATOM 773 C ILE A 53 77.723 -5.339 -12.316 1.00 1.00 C ATOM 774 O ILE A 53 78.327 -6.203 -11.676 1.00 1.00 O ATOM 775 CB ILE A 53 78.826 -3.560 -13.702 1.00 1.00 C ATOM 776 CG1 ILE A 53 77.735 -3.593 -14.797 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.913 -4.587 -14.037 1.00 1.00 C ATOM 778 CD1 ILE A 53 76.565 -2.660 -14.437 1.00 1.00 C ATOM 0 H ILE A 53 80.187 -3.828 -11.587 1.00 1.00 H new ATOM 0 HA ILE A 53 77.399 -3.210 -12.164 1.00 1.00 H new ATOM 0 HB ILE A 53 79.253 -2.558 -13.665 1.00 1.00 H new ATOM 0 HG12 ILE A 53 78.164 -3.292 -15.753 1.00 1.00 H new ATOM 0 HG13 ILE A 53 77.368 -4.612 -14.919 1.00 1.00 H new ATOM 0 HG21 ILE A 53 80.345 -4.355 -15.010 1.00 1.00 H new ATOM 0 HG22 ILE A 53 80.693 -4.553 -13.276 1.00 1.00 H new ATOM 0 HG23 ILE A 53 79.475 -5.585 -14.063 1.00 1.00 H new ATOM 0 HD11 ILE A 53 75.811 -2.702 -15.223 1.00 1.00 H new ATOM 0 HD12 ILE A 53 76.123 -2.979 -13.493 1.00 1.00 H new ATOM 0 HD13 ILE A 53 76.931 -1.638 -14.339 1.00 1.00 H new ATOM 790 N GLN A 54 76.632 -5.624 -13.020 1.00 1.00 N ATOM 791 CA GLN A 54 76.081 -6.983 -13.070 1.00 1.00 C ATOM 792 C GLN A 54 75.726 -7.340 -14.519 1.00 1.00 C ATOM 793 O GLN A 54 75.101 -6.549 -15.220 1.00 1.00 O ATOM 794 CB GLN A 54 74.821 -7.036 -12.218 1.00 1.00 C ATOM 795 CG GLN A 54 75.132 -6.466 -10.833 1.00 1.00 C ATOM 796 CD GLN A 54 73.862 -6.386 -10.009 1.00 1.00 C ATOM 797 OE1 GLN A 54 73.236 -5.329 -9.943 1.00 1.00 O ATOM 798 NE2 GLN A 54 73.440 -7.442 -9.381 1.00 1.00 N ATOM 0 H GLN A 54 76.110 -4.937 -13.564 1.00 1.00 H new ATOM 0 HA GLN A 54 76.817 -7.692 -12.692 1.00 1.00 H new ATOM 0 HB2 GLN A 54 74.023 -6.463 -12.690 1.00 1.00 H new ATOM 0 HB3 GLN A 54 74.468 -8.064 -12.132 1.00 1.00 H new ATOM 0 HG2 GLN A 54 75.864 -7.095 -10.328 1.00 1.00 H new ATOM 0 HG3 GLN A 54 75.576 -5.475 -10.930 1.00 1.00 H new ATOM 0 HE21 GLN A 54 73.965 -8.315 -9.441 1.00 1.00 H new ATOM 0 HE22 GLN A 54 72.584 -7.399 -8.828 1.00 1.00 H new ATOM 807 N ILE A 55 76.106 -8.537 -14.951 1.00 1.00 N ATOM 808 CA ILE A 55 75.801 -8.998 -16.315 1.00 1.00 C ATOM 809 C ILE A 55 75.513 -10.496 -16.311 1.00 1.00 C ATOM 810 O ILE A 55 75.984 -11.210 -15.428 1.00 1.00 O ATOM 811 CB ILE A 55 76.970 -8.694 -17.250 1.00 1.00 C ATOM 812 CG1 ILE A 55 76.581 -9.066 -18.678 1.00 1.00 C ATOM 813 CG2 ILE A 55 78.200 -9.497 -16.820 1.00 1.00 C ATOM 814 CD1 ILE A 55 77.631 -8.519 -19.641 1.00 1.00 C ATOM 0 H ILE A 55 76.624 -9.209 -14.385 1.00 1.00 H new ATOM 0 HA ILE A 55 74.918 -8.469 -16.673 1.00 1.00 H new ATOM 0 HB ILE A 55 77.208 -7.631 -17.203 1.00 1.00 H new ATOM 0 HG12 ILE A 55 76.508 -10.149 -18.778 1.00 1.00 H new ATOM 0 HG13 ILE A 55 75.600 -8.656 -18.919 1.00 1.00 H new ATOM 0 HG21 ILE A 55 79.031 -9.277 -17.490 1.00 1.00 H new ATOM 0 HG22 ILE A 55 78.474 -9.225 -15.801 1.00 1.00 H new ATOM 0 HG23 ILE A 55 77.972 -10.562 -16.863 1.00 1.00 H new ATOM 0 HD11 ILE A 55 77.359 -8.781 -20.663 1.00 1.00 H new ATOM 0 HD12 ILE A 55 77.682 -7.434 -19.546 1.00 1.00 H new ATOM 0 HD13 ILE A 55 78.603 -8.950 -19.402 1.00 1.00 H new ATOM 826 N GLY A 56 74.735 -10.990 -17.275 1.00 1.00 N ATOM 827 CA GLY A 56 74.398 -12.419 -17.323 1.00 1.00 C ATOM 828 C GLY A 56 72.978 -12.640 -16.826 1.00 1.00 C ATOM 829 O GLY A 56 72.528 -13.779 -16.683 1.00 1.00 O ATOM 0 H GLY A 56 74.329 -10.432 -18.026 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.496 -12.789 -18.344 1.00 1.00 H new ATOM 0 HA3 GLY A 56 75.098 -12.986 -16.710 1.00 1.00 H new ATOM 833 N ASP A 57 72.284 -11.524 -16.538 1.00 1.00 N ATOM 834 CA ASP A 57 70.920 -11.570 -16.029 1.00 1.00 C ATOM 835 C ASP A 57 69.847 -11.421 -17.124 1.00 1.00 C ATOM 836 O ASP A 57 69.663 -10.353 -17.717 1.00 1.00 O ATOM 837 CB ASP A 57 70.708 -10.482 -14.972 1.00 1.00 C ATOM 838 CG ASP A 57 69.243 -10.495 -14.508 1.00 1.00 C ATOM 839 OD1 ASP A 57 68.821 -11.510 -13.974 1.00 1.00 O ATOM 840 OD2 ASP A 57 68.577 -9.496 -14.700 1.00 1.00 O ATOM 0 H ASP A 57 72.656 -10.581 -16.653 1.00 1.00 H new ATOM 0 HA ASP A 57 70.800 -12.561 -15.591 1.00 1.00 H new ATOM 0 HB2 ASP A 57 71.371 -10.651 -14.123 1.00 1.00 H new ATOM 0 HB3 ASP A 57 70.961 -9.505 -15.385 1.00 1.00 H new ATOM 845 N TRP A 58 69.112 -12.531 -17.277 1.00 1.00 N ATOM 846 CA TRP A 58 67.981 -12.625 -18.188 1.00 1.00 C ATOM 847 C TRP A 58 66.739 -12.061 -17.521 1.00 1.00 C ATOM 848 O TRP A 58 66.796 -11.577 -16.385 1.00 1.00 O ATOM 849 CB TRP A 58 67.724 -14.005 -18.755 1.00 1.00 C ATOM 850 CG TRP A 58 69.003 -14.582 -19.239 1.00 1.00 C ATOM 851 CD1 TRP A 58 69.759 -15.463 -18.556 1.00 1.00 C ATOM 852 CD2 TRP A 58 69.684 -14.331 -20.500 1.00 1.00 C ATOM 853 NE1 TRP A 58 70.862 -15.783 -19.324 1.00 1.00 N ATOM 854 CE2 TRP A 58 70.859 -15.109 -20.531 1.00 1.00 C ATOM 855 CE3 TRP A 58 69.396 -13.512 -21.613 1.00 1.00 C ATOM 856 CZ2 TRP A 58 71.725 -15.083 -21.625 1.00 1.00 C ATOM 857 CZ3 TRP A 58 70.269 -13.482 -22.716 1.00 1.00 C ATOM 858 CH2 TRP A 58 71.430 -14.268 -22.720 1.00 1.00 C ATOM 0 H TRP A 58 69.294 -13.393 -16.763 1.00 1.00 H new ATOM 0 HA TRP A 58 68.246 -12.026 -19.059 1.00 1.00 H new ATOM 0 HB2 TRP A 58 67.287 -14.649 -17.992 1.00 1.00 H new ATOM 0 HB3 TRP A 58 67.005 -13.947 -19.573 1.00 1.00 H new ATOM 0 HD1 TRP A 58 69.540 -15.854 -17.573 1.00 1.00 H new ATOM 0 HE1 TRP A 58 71.590 -16.437 -19.036 1.00 1.00 H new ATOM 0 HE3 TRP A 58 68.502 -12.906 -21.618 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 72.618 -15.690 -21.625 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 70.044 -12.851 -23.563 1.00 1.00 H new ATOM 0 HH2 TRP A 58 72.096 -14.243 -23.570 1.00 1.00 H new ATOM 869 N ARG A 59 65.596 -12.136 -18.203 1.00 1.00 N ATOM 870 CA ARG A 59 64.322 -11.635 -17.665 1.00 1.00 C ATOM 871 C ARG A 59 63.538 -12.778 -16.978 1.00 1.00 C ATOM 872 O ARG A 59 63.184 -12.700 -15.798 1.00 1.00 O ATOM 873 CB ARG A 59 63.483 -11.022 -18.838 1.00 1.00 C ATOM 874 CG ARG A 59 64.257 -11.091 -20.183 1.00 1.00 C ATOM 875 CD ARG A 59 64.174 -12.511 -20.760 1.00 1.00 C ATOM 876 NE ARG A 59 65.110 -12.674 -21.869 1.00 1.00 N ATOM 877 CZ ARG A 59 65.603 -13.871 -22.192 1.00 1.00 C ATOM 878 NH1 ARG A 59 65.267 -14.932 -21.504 1.00 1.00 N ATOM 879 NH2 ARG A 59 66.428 -13.980 -23.194 1.00 1.00 N ATOM 0 H ARG A 59 65.522 -12.541 -19.136 1.00 1.00 H new ATOM 0 HA ARG A 59 64.518 -10.867 -16.917 1.00 1.00 H new ATOM 0 HB2 ARG A 59 62.539 -11.559 -18.932 1.00 1.00 H new ATOM 0 HB3 ARG A 59 63.239 -9.985 -18.610 1.00 1.00 H new ATOM 0 HG2 ARG A 59 63.838 -10.376 -20.891 1.00 1.00 H new ATOM 0 HG3 ARG A 59 65.299 -10.812 -20.028 1.00 1.00 H new ATOM 0 HD2 ARG A 59 64.396 -13.239 -19.980 1.00 1.00 H new ATOM 0 HD3 ARG A 59 63.159 -12.711 -21.102 1.00 1.00 H new ATOM 0 HE ARG A 59 65.393 -11.856 -22.408 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.625 -14.847 -20.716 1.00 1.00 H new ATOM 0 HH12 ARG A 59 65.647 -15.844 -21.756 1.00 1.00 H new ATOM 0 HH21 ARG A 59 66.694 -13.153 -23.728 1.00 1.00 H new ATOM 0 HH22 ARG A 59 66.808 -14.893 -23.445 1.00 1.00 H new ATOM 893 N TYR A 60 63.307 -13.837 -17.742 1.00 1.00 N ATOM 894 CA TYR A 60 62.614 -15.050 -17.289 1.00 1.00 C ATOM 895 C TYR A 60 63.530 -15.871 -16.375 1.00 1.00 C ATOM 896 O TYR A 60 63.113 -16.877 -15.786 1.00 1.00 O ATOM 897 CB TYR A 60 62.136 -15.914 -18.498 1.00 1.00 C ATOM 898 CG TYR A 60 61.996 -17.368 -18.078 1.00 1.00 C ATOM 899 CD1 TYR A 60 60.808 -17.836 -17.499 1.00 1.00 C ATOM 900 CD2 TYR A 60 63.088 -18.228 -18.225 1.00 1.00 C ATOM 901 CE1 TYR A 60 60.718 -19.170 -17.074 1.00 1.00 C ATOM 902 CE2 TYR A 60 63.000 -19.556 -17.794 1.00 1.00 C ATOM 903 CZ TYR A 60 61.817 -20.027 -17.218 1.00 1.00 C ATOM 904 OH TYR A 60 61.732 -21.333 -16.787 1.00 1.00 O ATOM 0 H TYR A 60 63.600 -13.884 -18.718 1.00 1.00 H new ATOM 0 HA TYR A 60 61.731 -14.746 -16.726 1.00 1.00 H new ATOM 0 HB2 TYR A 60 61.181 -15.540 -18.867 1.00 1.00 H new ATOM 0 HB3 TYR A 60 62.849 -15.831 -19.318 1.00 1.00 H new ATOM 0 HD1 TYR A 60 59.965 -17.172 -17.381 1.00 1.00 H new ATOM 0 HD2 TYR A 60 64.002 -17.866 -18.672 1.00 1.00 H new ATOM 0 HE1 TYR A 60 59.801 -19.536 -16.636 1.00 1.00 H new ATOM 0 HE2 TYR A 60 63.846 -20.217 -17.906 1.00 1.00 H new ATOM 0 HH TYR A 60 62.581 -21.791 -16.962 1.00 1.00 H new ATOM 914 N GLU A 61 64.769 -15.466 -16.229 1.00 1.00 N ATOM 915 CA GLU A 61 65.690 -16.210 -15.381 1.00 1.00 C ATOM 916 C GLU A 61 65.308 -16.102 -13.922 1.00 1.00 C ATOM 917 O GLU A 61 65.798 -16.849 -13.081 1.00 1.00 O ATOM 918 CB GLU A 61 67.098 -15.662 -15.605 1.00 1.00 C ATOM 919 CG GLU A 61 68.165 -16.301 -14.677 1.00 1.00 C ATOM 920 CD GLU A 61 69.239 -15.284 -14.305 1.00 1.00 C ATOM 921 OE1 GLU A 61 68.911 -14.319 -13.626 1.00 1.00 O ATOM 922 OE2 GLU A 61 70.374 -15.492 -14.686 1.00 1.00 O ATOM 0 H GLU A 61 65.165 -14.639 -16.676 1.00 1.00 H new ATOM 0 HA GLU A 61 65.649 -17.267 -15.646 1.00 1.00 H new ATOM 0 HB2 GLU A 61 67.384 -15.830 -16.643 1.00 1.00 H new ATOM 0 HB3 GLU A 61 67.089 -14.584 -15.447 1.00 1.00 H new ATOM 0 HG2 GLU A 61 67.688 -16.679 -13.773 1.00 1.00 H new ATOM 0 HG3 GLU A 61 68.624 -17.154 -15.176 1.00 1.00 H new ATOM 929 N VAL A 62 64.504 -15.129 -13.605 1.00 1.00 N ATOM 930 CA VAL A 62 64.168 -14.861 -12.201 1.00 1.00 C ATOM 931 C VAL A 62 63.925 -16.164 -11.478 1.00 1.00 C ATOM 932 O VAL A 62 64.513 -16.429 -10.429 1.00 1.00 O ATOM 933 CB VAL A 62 62.935 -13.948 -12.107 1.00 1.00 C ATOM 934 CG1 VAL A 62 63.282 -12.528 -12.592 1.00 1.00 C ATOM 935 CG2 VAL A 62 61.817 -14.530 -12.979 1.00 1.00 C ATOM 0 H VAL A 62 64.063 -14.503 -14.278 1.00 1.00 H new ATOM 0 HA VAL A 62 65.004 -14.347 -11.727 1.00 1.00 H new ATOM 0 HB VAL A 62 62.608 -13.891 -11.069 1.00 1.00 H new ATOM 0 HG11 VAL A 62 62.399 -11.893 -12.520 1.00 1.00 H new ATOM 0 HG12 VAL A 62 64.077 -12.116 -11.971 1.00 1.00 H new ATOM 0 HG13 VAL A 62 63.615 -12.569 -13.629 1.00 1.00 H new ATOM 0 HG21 VAL A 62 60.938 -13.889 -12.919 1.00 1.00 H new ATOM 0 HG22 VAL A 62 62.155 -14.586 -14.014 1.00 1.00 H new ATOM 0 HG23 VAL A 62 61.563 -15.529 -12.625 1.00 1.00 H new ATOM 945 N ALA A 63 63.108 -17.005 -12.054 1.00 1.00 N ATOM 946 CA ALA A 63 62.859 -18.284 -11.490 1.00 1.00 C ATOM 947 C ALA A 63 64.161 -19.079 -11.511 1.00 1.00 C ATOM 948 O ALA A 63 64.578 -19.682 -10.500 1.00 1.00 O ATOM 949 CB ALA A 63 61.790 -18.976 -12.358 1.00 1.00 C ATOM 0 H ALA A 63 62.605 -16.815 -12.921 1.00 1.00 H new ATOM 0 HA ALA A 63 62.505 -18.211 -10.462 1.00 1.00 H new ATOM 0 HB1 ALA A 63 61.575 -19.964 -11.951 1.00 1.00 H new ATOM 0 HB2 ALA A 63 60.879 -18.378 -12.359 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.159 -19.076 -13.379 1.00 1.00 H new ATOM 955 N HIS A 64 64.856 -19.027 -12.653 1.00 1.00 N ATOM 956 CA HIS A 64 66.113 -19.758 -12.747 1.00 1.00 C ATOM 957 C HIS A 64 67.088 -19.327 -11.640 1.00 1.00 C ATOM 958 O HIS A 64 67.467 -20.140 -10.809 1.00 1.00 O ATOM 959 CB HIS A 64 66.750 -19.548 -14.145 1.00 1.00 C ATOM 960 CG HIS A 64 67.164 -20.852 -14.780 1.00 1.00 C ATOM 961 ND1 HIS A 64 67.029 -22.073 -14.144 1.00 1.00 N ATOM 962 CD2 HIS A 64 67.695 -21.128 -16.013 1.00 1.00 C ATOM 963 CE1 HIS A 64 67.465 -23.019 -14.988 1.00 1.00 C ATOM 964 NE2 HIS A 64 67.885 -22.496 -16.145 1.00 1.00 N ATOM 0 H HIS A 64 64.582 -18.509 -13.488 1.00 1.00 H new ATOM 0 HA HIS A 64 65.902 -20.819 -12.612 1.00 1.00 H new ATOM 0 HB2 HIS A 64 66.038 -19.038 -14.795 1.00 1.00 H new ATOM 0 HB3 HIS A 64 67.620 -18.898 -14.053 1.00 1.00 H new ATOM 0 HD2 HIS A 64 67.930 -20.392 -16.768 1.00 1.00 H new ATOM 0 HE1 HIS A 64 67.476 -24.075 -14.761 1.00 1.00 H new ATOM 0 HE2 HIS A 64 68.263 -22.995 -16.950 1.00 1.00 H new ATOM 972 N ASP A 65 67.481 -18.055 -11.612 1.00 1.00 N ATOM 973 CA ASP A 65 68.398 -17.573 -10.568 1.00 1.00 C ATOM 974 C ASP A 65 67.738 -17.704 -9.200 1.00 1.00 C ATOM 975 O ASP A 65 68.352 -18.163 -8.225 1.00 1.00 O ATOM 976 CB ASP A 65 68.785 -16.114 -10.862 1.00 1.00 C ATOM 977 CG ASP A 65 70.069 -16.044 -11.689 1.00 1.00 C ATOM 978 OD1 ASP A 65 70.362 -17.004 -12.384 1.00 1.00 O ATOM 979 OD2 ASP A 65 70.746 -15.031 -11.607 1.00 1.00 O ATOM 0 H ASP A 65 67.188 -17.347 -12.285 1.00 1.00 H new ATOM 0 HA ASP A 65 69.306 -18.177 -10.564 1.00 1.00 H new ATOM 0 HB2 ASP A 65 67.975 -15.620 -11.399 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.922 -15.574 -9.925 1.00 1.00 H new ATOM 984 N GLY A 66 66.511 -17.235 -9.105 1.00 1.00 N ATOM 985 CA GLY A 66 65.769 -17.276 -7.857 1.00 1.00 C ATOM 986 C GLY A 66 65.553 -18.711 -7.402 1.00 1.00 C ATOM 987 O GLY A 66 64.619 -19.004 -6.650 1.00 1.00 O ATOM 0 H GLY A 66 66.001 -16.817 -9.883 1.00 1.00 H new ATOM 0 HA2 GLY A 66 66.311 -16.724 -7.089 1.00 1.00 H new ATOM 0 HA3 GLY A 66 64.806 -16.782 -7.985 1.00 1.00 H new ATOM 991 N ARG A 67 66.479 -19.577 -7.779 1.00 1.00 N ATOM 992 CA ARG A 67 66.467 -20.954 -7.372 1.00 1.00 C ATOM 993 C ARG A 67 67.084 -21.135 -5.989 1.00 1.00 C ATOM 994 O ARG A 67 66.920 -22.189 -5.376 1.00 1.00 O ATOM 995 CB ARG A 67 67.238 -21.759 -8.394 1.00 1.00 C ATOM 996 CG ARG A 67 68.709 -21.237 -8.558 1.00 1.00 C ATOM 997 CD ARG A 67 69.461 -22.068 -9.639 1.00 1.00 C ATOM 998 NE ARG A 67 68.566 -23.045 -10.236 1.00 1.00 N ATOM 999 CZ ARG A 67 68.897 -23.691 -11.344 1.00 1.00 C ATOM 1000 NH1 ARG A 67 70.055 -23.473 -11.902 1.00 1.00 N ATOM 1001 NH2 ARG A 67 68.058 -24.536 -11.877 1.00 1.00 N ATOM 0 H ARG A 67 67.264 -19.332 -8.382 1.00 1.00 H new ATOM 0 HA ARG A 67 65.435 -21.299 -7.313 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.255 -22.807 -8.093 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.726 -21.712 -9.355 1.00 1.00 H new ATOM 0 HG2 ARG A 67 68.699 -20.184 -8.841 1.00 1.00 H new ATOM 0 HG3 ARG A 67 69.235 -21.306 -7.606 1.00 1.00 H new ATOM 0 HD2 ARG A 67 69.853 -21.405 -10.410 1.00 1.00 H new ATOM 0 HD3 ARG A 67 70.315 -22.574 -9.189 1.00 1.00 H new ATOM 0 HE ARG A 67 67.667 -23.237 -9.794 1.00 1.00 H new ATOM 0 HH11 ARG A 67 70.704 -22.806 -11.485 1.00 1.00 H new ATOM 0 HH12 ARG A 67 70.312 -23.970 -12.755 1.00 1.00 H new ATOM 0 HH21 ARG A 67 67.150 -24.697 -11.441 1.00 1.00 H new ATOM 0 HH22 ARG A 67 68.310 -25.035 -12.730 1.00 1.00 H new ATOM 1015 N LEU A 68 67.780 -20.098 -5.504 1.00 1.00 N ATOM 1016 CA LEU A 68 68.390 -20.176 -4.174 1.00 1.00 C ATOM 1017 C LEU A 68 67.385 -20.885 -3.261 1.00 1.00 C ATOM 1018 O LEU A 68 67.736 -21.566 -2.311 1.00 1.00 O ATOM 1019 CB LEU A 68 68.722 -18.778 -3.628 1.00 1.00 C ATOM 1020 CG LEU A 68 67.497 -17.843 -3.803 1.00 1.00 C ATOM 1021 CD1 LEU A 68 66.844 -17.561 -2.446 1.00 1.00 C ATOM 1022 CD2 LEU A 68 67.937 -16.523 -4.449 1.00 1.00 C ATOM 0 H LEU A 68 67.931 -19.219 -5.998 1.00 1.00 H new ATOM 0 HA LEU A 68 69.330 -20.725 -4.222 1.00 1.00 H new ATOM 0 HB2 LEU A 68 68.994 -18.844 -2.574 1.00 1.00 H new ATOM 0 HB3 LEU A 68 69.583 -18.367 -4.154 1.00 1.00 H new ATOM 0 HG LEU A 68 66.770 -18.337 -4.448 1.00 1.00 H new ATOM 0 HD11 LEU A 68 65.986 -16.904 -2.585 1.00 1.00 H new ATOM 0 HD12 LEU A 68 66.514 -18.499 -1.999 1.00 1.00 H new ATOM 0 HD13 LEU A 68 67.567 -17.080 -1.787 1.00 1.00 H new ATOM 0 HD21 LEU A 68 67.072 -15.871 -4.569 1.00 1.00 H new ATOM 0 HD22 LEU A 68 68.674 -16.034 -3.812 1.00 1.00 H new ATOM 0 HD23 LEU A 68 68.378 -16.725 -5.425 1.00 1.00 H new ATOM 1034 N LEU A 69 66.117 -20.722 -3.553 1.00 1.00 N ATOM 1035 CA LEU A 69 65.146 -21.423 -2.730 1.00 1.00 C ATOM 1036 C LEU A 69 65.327 -22.940 -2.954 1.00 1.00 C ATOM 1037 O LEU A 69 65.715 -23.661 -2.032 1.00 1.00 O ATOM 1038 CB LEU A 69 63.738 -21.003 -3.141 1.00 1.00 C ATOM 1039 CG LEU A 69 62.732 -21.273 -2.016 1.00 1.00 C ATOM 1040 CD1 LEU A 69 61.352 -20.770 -2.465 1.00 1.00 C ATOM 1041 CD2 LEU A 69 62.660 -22.776 -1.713 1.00 1.00 C ATOM 0 H LEU A 69 65.742 -20.147 -4.307 1.00 1.00 H new ATOM 0 HA LEU A 69 65.293 -21.182 -1.677 1.00 1.00 H new ATOM 0 HB2 LEU A 69 63.730 -19.943 -3.393 1.00 1.00 H new ATOM 0 HB3 LEU A 69 63.440 -21.546 -4.038 1.00 1.00 H new ATOM 0 HG LEU A 69 63.048 -20.754 -1.111 1.00 1.00 H new ATOM 0 HD11 LEU A 69 60.623 -20.954 -1.676 1.00 1.00 H new ATOM 0 HD12 LEU A 69 61.403 -19.701 -2.669 1.00 1.00 H new ATOM 0 HD13 LEU A 69 61.049 -21.298 -3.369 1.00 1.00 H new ATOM 0 HD21 LEU A 69 61.942 -22.952 -0.912 1.00 1.00 H new ATOM 0 HD22 LEU A 69 62.345 -23.313 -2.608 1.00 1.00 H new ATOM 0 HD23 LEU A 69 63.643 -23.132 -1.404 1.00 1.00 H new ATOM 1053 N ALA A 70 65.038 -23.419 -4.173 1.00 1.00 N ATOM 1054 CA ALA A 70 65.183 -24.851 -4.451 1.00 1.00 C ATOM 1055 C ALA A 70 66.657 -25.172 -4.621 1.00 1.00 C ATOM 1056 O ALA A 70 67.277 -25.813 -3.770 1.00 1.00 O ATOM 1057 CB ALA A 70 64.440 -25.179 -5.753 1.00 1.00 C ATOM 0 H ALA A 70 64.713 -22.855 -4.958 1.00 1.00 H new ATOM 0 HA ALA A 70 64.770 -25.438 -3.631 1.00 1.00 H new ATOM 0 HB1 ALA A 70 64.540 -26.242 -5.971 1.00 1.00 H new ATOM 0 HB2 ALA A 70 63.385 -24.929 -5.643 1.00 1.00 H new ATOM 0 HB3 ALA A 70 64.866 -24.599 -6.571 1.00 1.00 H new ATOM 1063 N ALA A 71 67.195 -24.774 -5.760 1.00 1.00 N ATOM 1064 CA ALA A 71 68.579 -25.014 -6.140 1.00 1.00 C ATOM 1065 C ALA A 71 69.540 -24.417 -5.106 1.00 1.00 C ATOM 1066 O ALA A 71 70.707 -24.199 -5.401 1.00 1.00 O ATOM 1067 CB ALA A 71 68.870 -24.514 -7.551 1.00 1.00 C ATOM 0 H ALA A 71 66.668 -24.261 -6.467 1.00 1.00 H new ATOM 0 HA ALA A 71 68.742 -26.092 -6.153 1.00 1.00 H new ATOM 0 HB1 ALA A 71 69.913 -24.711 -7.799 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.225 -25.031 -8.261 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.681 -23.442 -7.603 1.00 1.00 H new ATOM 1073 N HIS A 72 68.989 -24.054 -3.946 1.00 1.00 N ATOM 1074 CA HIS A 72 69.713 -23.357 -2.862 1.00 1.00 C ATOM 1075 C HIS A 72 71.212 -23.344 -3.062 1.00 1.00 C ATOM 1076 O HIS A 72 71.782 -22.307 -3.411 1.00 1.00 O ATOM 1077 CB HIS A 72 69.383 -24.128 -1.540 1.00 1.00 C ATOM 1078 CG HIS A 72 68.544 -23.305 -0.604 1.00 1.00 C ATOM 1079 ND1 HIS A 72 68.884 -22.016 -0.249 1.00 1.00 N ATOM 1080 CD2 HIS A 72 67.370 -23.584 0.055 1.00 1.00 C ATOM 1081 CE1 HIS A 72 67.932 -21.563 0.583 1.00 1.00 C ATOM 1082 NE2 HIS A 72 66.986 -22.480 0.805 1.00 1.00 N ATOM 0 H HIS A 72 68.011 -24.236 -3.722 1.00 1.00 H new ATOM 0 HA HIS A 72 69.396 -22.314 -2.839 1.00 1.00 H new ATOM 0 HB2 HIS A 72 68.858 -25.052 -1.781 1.00 1.00 H new ATOM 0 HB3 HIS A 72 70.311 -24.409 -1.043 1.00 1.00 H new ATOM 0 HD2 HIS A 72 66.830 -24.518 -0.002 1.00 1.00 H new ATOM 0 HE1 HIS A 72 67.931 -20.576 1.020 1.00 1.00 H new ATOM 0 HE2 HIS A 72 66.160 -22.389 1.397 1.00 1.00 H new ATOM 1090 N MET A 73 71.853 -24.437 -2.848 1.00 1.00 N ATOM 1091 CA MET A 73 73.286 -24.451 -2.996 1.00 1.00 C ATOM 1092 C MET A 73 73.703 -24.139 -4.423 1.00 1.00 C ATOM 1093 O MET A 73 74.711 -23.470 -4.647 1.00 1.00 O ATOM 1094 CB MET A 73 73.804 -25.802 -2.613 1.00 1.00 C ATOM 1095 CG MET A 73 73.315 -26.164 -1.206 1.00 1.00 C ATOM 1096 SD MET A 73 71.678 -26.928 -1.320 1.00 1.00 S ATOM 1097 CE MET A 73 71.210 -26.716 0.415 1.00 1.00 C ATOM 0 H MET A 73 71.429 -25.324 -2.575 1.00 1.00 H new ATOM 0 HA MET A 73 73.704 -23.682 -2.346 1.00 1.00 H new ATOM 0 HB2 MET A 73 73.464 -26.549 -3.330 1.00 1.00 H new ATOM 0 HB3 MET A 73 74.894 -25.806 -2.642 1.00 1.00 H new ATOM 0 HG2 MET A 73 74.016 -26.849 -0.730 1.00 1.00 H new ATOM 0 HG3 MET A 73 73.269 -25.271 -0.583 1.00 1.00 H new ATOM 0 HE1 MET A 73 70.192 -27.077 0.564 1.00 1.00 H new ATOM 0 HE2 MET A 73 71.893 -27.283 1.048 1.00 1.00 H new ATOM 0 HE3 MET A 73 71.263 -25.660 0.680 1.00 1.00 H new ATOM 1107 N VAL A 74 73.000 -24.702 -5.399 1.00 1.00 N ATOM 1108 CA VAL A 74 73.412 -24.520 -6.794 1.00 1.00 C ATOM 1109 C VAL A 74 73.781 -23.060 -7.046 1.00 1.00 C ATOM 1110 O VAL A 74 74.832 -22.788 -7.632 1.00 1.00 O ATOM 1111 CB VAL A 74 72.269 -24.912 -7.730 1.00 1.00 C ATOM 1112 CG1 VAL A 74 72.700 -24.842 -9.223 1.00 1.00 C ATOM 1113 CG2 VAL A 74 71.796 -26.326 -7.346 1.00 1.00 C ATOM 0 H VAL A 74 72.166 -25.273 -5.262 1.00 1.00 H new ATOM 0 HA VAL A 74 74.278 -25.153 -6.986 1.00 1.00 H new ATOM 0 HB VAL A 74 71.447 -24.205 -7.618 1.00 1.00 H new ATOM 0 HG11 VAL A 74 71.861 -25.128 -9.858 1.00 1.00 H new ATOM 0 HG12 VAL A 74 73.009 -23.825 -9.465 1.00 1.00 H new ATOM 0 HG13 VAL A 74 73.533 -25.524 -9.394 1.00 1.00 H new ATOM 0 HG21 VAL A 74 70.979 -26.627 -8.002 1.00 1.00 H new ATOM 0 HG22 VAL A 74 72.623 -27.028 -7.451 1.00 1.00 H new ATOM 0 HG23 VAL A 74 71.450 -26.326 -6.312 1.00 1.00 H new ATOM 1123 N ASN A 75 72.933 -22.111 -6.649 1.00 1.00 N ATOM 1124 CA ASN A 75 73.228 -20.685 -6.866 1.00 1.00 C ATOM 1125 C ASN A 75 74.702 -20.378 -6.626 1.00 1.00 C ATOM 1126 O ASN A 75 75.268 -19.408 -7.121 1.00 1.00 O ATOM 1127 CB ASN A 75 72.361 -19.875 -5.910 1.00 1.00 C ATOM 1128 CG ASN A 75 72.321 -18.414 -6.323 1.00 1.00 C ATOM 1129 OD1 ASN A 75 73.268 -17.671 -6.077 1.00 1.00 O ATOM 1130 ND2 ASN A 75 71.259 -17.949 -6.921 1.00 1.00 N ATOM 0 H ASN A 75 72.046 -22.295 -6.181 1.00 1.00 H new ATOM 0 HA ASN A 75 73.009 -20.423 -7.901 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.350 -20.281 -5.896 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.752 -19.960 -4.896 1.00 1.00 H new ATOM 0 HD21 ASN A 75 71.213 -16.965 -7.186 1.00 1.00 H new ATOM 0 HD22 ASN A 75 70.475 -18.569 -7.123 1.00 1.00 H new ATOM 1137 N GLY A 76 75.305 -21.259 -5.876 1.00 1.00 N ATOM 1138 CA GLY A 76 76.716 -21.160 -5.555 1.00 1.00 C ATOM 1139 C GLY A 76 77.514 -20.789 -6.818 1.00 1.00 C ATOM 1140 O GLY A 76 78.657 -20.332 -6.740 1.00 1.00 O ATOM 0 H GLY A 76 74.839 -22.068 -5.467 1.00 1.00 H new ATOM 0 HA2 GLY A 76 76.870 -20.407 -4.782 1.00 1.00 H new ATOM 0 HA3 GLY A 76 77.074 -22.108 -5.153 1.00 1.00 H new ATOM 1144 N ILE A 77 76.886 -21.029 -7.978 1.00 1.00 N ATOM 1145 CA ILE A 77 77.534 -20.753 -9.266 1.00 1.00 C ATOM 1146 C ILE A 77 77.245 -19.316 -9.648 1.00 1.00 C ATOM 1147 O ILE A 77 78.117 -18.603 -10.140 1.00 1.00 O ATOM 1148 CB ILE A 77 77.082 -21.726 -10.360 1.00 1.00 C ATOM 1149 CG1 ILE A 77 75.582 -21.568 -10.587 1.00 1.00 C ATOM 1150 CG2 ILE A 77 77.419 -23.169 -9.952 1.00 1.00 C ATOM 1151 CD1 ILE A 77 75.076 -22.682 -11.501 1.00 1.00 C ATOM 0 H ILE A 77 75.942 -21.409 -8.050 1.00 1.00 H new ATOM 0 HA ILE A 77 78.609 -20.899 -9.163 1.00 1.00 H new ATOM 0 HB ILE A 77 77.607 -21.502 -11.289 1.00 1.00 H new ATOM 0 HG12 ILE A 77 75.055 -21.601 -9.633 1.00 1.00 H new ATOM 0 HG13 ILE A 77 75.373 -20.596 -11.034 1.00 1.00 H new ATOM 0 HG21 ILE A 77 77.094 -23.854 -10.735 1.00 1.00 H new ATOM 0 HG22 ILE A 77 78.495 -23.265 -9.810 1.00 1.00 H new ATOM 0 HG23 ILE A 77 76.907 -23.413 -9.021 1.00 1.00 H new ATOM 0 HD11 ILE A 77 74.004 -22.564 -11.659 1.00 1.00 H new ATOM 0 HD12 ILE A 77 75.593 -22.629 -12.459 1.00 1.00 H new ATOM 0 HD13 ILE A 77 75.270 -23.649 -11.037 1.00 1.00 H new ATOM 1163 N VAL A 78 75.972 -18.947 -9.520 1.00 1.00 N ATOM 1164 CA VAL A 78 75.528 -17.638 -9.898 1.00 1.00 C ATOM 1165 C VAL A 78 76.618 -16.638 -9.518 1.00 1.00 C ATOM 1166 O VAL A 78 76.871 -15.684 -10.223 1.00 1.00 O ATOM 1167 CB VAL A 78 74.224 -17.313 -9.156 1.00 1.00 C ATOM 1168 CG1 VAL A 78 73.935 -15.815 -9.189 1.00 1.00 C ATOM 1169 CG2 VAL A 78 73.063 -18.076 -9.800 1.00 1.00 C ATOM 0 H VAL A 78 75.237 -19.552 -9.153 1.00 1.00 H new ATOM 0 HA VAL A 78 75.341 -17.587 -10.971 1.00 1.00 H new ATOM 0 HB VAL A 78 74.334 -17.618 -8.115 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.006 -15.612 -8.656 1.00 1.00 H new ATOM 0 HG12 VAL A 78 74.753 -15.276 -8.711 1.00 1.00 H new ATOM 0 HG13 VAL A 78 73.840 -15.486 -10.224 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.138 -17.844 -9.272 1.00 1.00 H new ATOM 0 HG22 VAL A 78 72.968 -17.780 -10.845 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.255 -19.147 -9.742 1.00 1.00 H new ATOM 1179 N ILE A 79 77.289 -16.892 -8.398 1.00 1.00 N ATOM 1180 CA ILE A 79 78.360 -16.006 -7.944 1.00 1.00 C ATOM 1181 C ILE A 79 79.703 -16.396 -8.574 1.00 1.00 C ATOM 1182 O ILE A 79 80.585 -15.565 -8.744 1.00 1.00 O ATOM 1183 CB ILE A 79 78.455 -16.070 -6.400 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.456 -17.169 -5.967 1.00 1.00 C ATOM 1185 CG2 ILE A 79 77.066 -16.386 -5.823 1.00 1.00 C ATOM 1186 CD1 ILE A 79 79.287 -17.509 -4.483 1.00 1.00 C ATOM 0 H ILE A 79 77.114 -17.694 -7.793 1.00 1.00 H new ATOM 0 HA ILE A 79 78.129 -14.987 -8.256 1.00 1.00 H new ATOM 0 HB ILE A 79 78.805 -15.109 -6.024 1.00 1.00 H new ATOM 0 HG12 ILE A 79 79.302 -18.064 -6.569 1.00 1.00 H new ATOM 0 HG13 ILE A 79 80.476 -16.831 -6.153 1.00 1.00 H new ATOM 0 HG21 ILE A 79 77.126 -16.433 -4.736 1.00 1.00 H new ATOM 0 HG22 ILE A 79 76.364 -15.604 -6.115 1.00 1.00 H new ATOM 0 HG23 ILE A 79 76.721 -17.345 -6.209 1.00 1.00 H new ATOM 0 HD11 ILE A 79 80.001 -18.283 -4.204 1.00 1.00 H new ATOM 0 HD12 ILE A 79 79.466 -16.617 -3.883 1.00 1.00 H new ATOM 0 HD13 ILE A 79 78.274 -17.869 -4.305 1.00 1.00 H new ATOM 1198 N ALA A 80 79.831 -17.648 -8.969 1.00 1.00 N ATOM 1199 CA ALA A 80 81.049 -18.149 -9.602 1.00 1.00 C ATOM 1200 C ALA A 80 81.194 -17.642 -11.029 1.00 1.00 C ATOM 1201 O ALA A 80 82.272 -17.742 -11.617 1.00 1.00 O ATOM 1202 CB ALA A 80 81.020 -19.690 -9.607 1.00 1.00 C ATOM 0 H ALA A 80 79.099 -18.350 -8.863 1.00 1.00 H new ATOM 0 HA ALA A 80 81.902 -17.784 -9.030 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.927 -20.069 -10.078 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.963 -20.056 -8.582 1.00 1.00 H new ATOM 0 HB3 ALA A 80 80.149 -20.036 -10.164 1.00 1.00 H new ATOM 1208 N GLU A 81 80.138 -17.026 -11.560 1.00 1.00 N ATOM 1209 CA GLU A 81 80.177 -16.438 -12.898 1.00 1.00 C ATOM 1210 C GLU A 81 79.872 -14.938 -12.851 1.00 1.00 C ATOM 1211 O GLU A 81 80.690 -14.103 -13.217 1.00 1.00 O ATOM 1212 CB GLU A 81 79.185 -17.169 -13.767 1.00 1.00 C ATOM 1213 CG GLU A 81 79.505 -18.661 -13.656 1.00 1.00 C ATOM 1214 CD GLU A 81 78.502 -19.466 -14.446 1.00 1.00 C ATOM 1215 OE1 GLU A 81 77.727 -18.861 -15.165 1.00 1.00 O ATOM 1216 OE2 GLU A 81 78.509 -20.675 -14.305 1.00 1.00 O ATOM 0 H GLU A 81 79.243 -16.921 -11.082 1.00 1.00 H new ATOM 0 HA GLU A 81 81.178 -16.543 -13.317 1.00 1.00 H new ATOM 0 HB2 GLU A 81 78.165 -16.968 -13.440 1.00 1.00 H new ATOM 0 HB3 GLU A 81 79.259 -16.835 -14.802 1.00 1.00 H new ATOM 0 HG2 GLU A 81 80.511 -18.854 -14.028 1.00 1.00 H new ATOM 0 HG3 GLU A 81 79.487 -18.968 -12.610 1.00 1.00 H new ATOM 1223 N ASP A 82 78.648 -14.624 -12.405 1.00 1.00 N ATOM 1224 CA ASP A 82 78.228 -13.226 -12.321 1.00 1.00 C ATOM 1225 C ASP A 82 79.172 -12.467 -11.414 1.00 1.00 C ATOM 1226 O ASP A 82 79.775 -11.514 -11.831 1.00 1.00 O ATOM 1227 CB ASP A 82 76.772 -13.096 -11.792 1.00 1.00 C ATOM 1228 CG ASP A 82 76.641 -12.005 -10.714 1.00 1.00 C ATOM 1229 OD1 ASP A 82 76.803 -10.842 -11.048 1.00 1.00 O ATOM 1230 OD2 ASP A 82 76.411 -12.359 -9.570 1.00 1.00 O ATOM 0 H ASP A 82 77.949 -15.303 -12.104 1.00 1.00 H new ATOM 0 HA ASP A 82 78.257 -12.804 -13.325 1.00 1.00 H new ATOM 0 HB2 ASP A 82 76.105 -12.866 -12.622 1.00 1.00 H new ATOM 0 HB3 ASP A 82 76.450 -14.052 -11.380 1.00 1.00 H new ATOM 1235 N ALA A 83 79.224 -12.849 -10.145 1.00 1.00 N ATOM 1236 CA ALA A 83 80.044 -12.110 -9.202 1.00 1.00 C ATOM 1237 C ALA A 83 81.471 -12.062 -9.682 1.00 1.00 C ATOM 1238 O ALA A 83 82.185 -11.091 -9.429 1.00 1.00 O ATOM 1239 CB ALA A 83 80.004 -12.735 -7.821 1.00 1.00 C ATOM 0 H ALA A 83 78.721 -13.646 -9.754 1.00 1.00 H new ATOM 0 HA ALA A 83 79.640 -11.100 -9.137 1.00 1.00 H new ATOM 0 HB1 ALA A 83 80.629 -12.156 -7.141 1.00 1.00 H new ATOM 0 HB2 ALA A 83 78.978 -12.741 -7.454 1.00 1.00 H new ATOM 0 HB3 ALA A 83 80.377 -13.758 -7.874 1.00 1.00 H new ATOM 1245 N LEU A 84 81.916 -13.167 -10.260 1.00 1.00 N ATOM 1246 CA LEU A 84 83.309 -13.313 -10.672 1.00 1.00 C ATOM 1247 C LEU A 84 83.911 -11.994 -11.095 1.00 1.00 C ATOM 1248 O LEU A 84 85.077 -11.737 -10.819 1.00 1.00 O ATOM 1249 CB LEU A 84 83.387 -14.271 -11.868 1.00 1.00 C ATOM 1250 CG LEU A 84 84.850 -14.550 -12.316 1.00 1.00 C ATOM 1251 CD1 LEU A 84 85.464 -13.357 -13.103 1.00 1.00 C ATOM 1252 CD2 LEU A 84 85.722 -14.902 -11.103 1.00 1.00 C ATOM 0 H LEU A 84 81.332 -13.980 -10.456 1.00 1.00 H new ATOM 0 HA LEU A 84 83.864 -13.697 -9.816 1.00 1.00 H new ATOM 0 HB2 LEU A 84 82.905 -15.213 -11.606 1.00 1.00 H new ATOM 0 HB3 LEU A 84 82.829 -13.849 -12.704 1.00 1.00 H new ATOM 0 HG LEU A 84 84.824 -15.402 -12.996 1.00 1.00 H new ATOM 0 HD11 LEU A 84 86.486 -13.600 -13.394 1.00 1.00 H new ATOM 0 HD12 LEU A 84 84.869 -13.165 -13.996 1.00 1.00 H new ATOM 0 HD13 LEU A 84 85.468 -12.468 -12.472 1.00 1.00 H new ATOM 0 HD21 LEU A 84 86.743 -15.095 -11.432 1.00 1.00 H new ATOM 0 HD22 LEU A 84 85.719 -14.070 -10.399 1.00 1.00 H new ATOM 0 HD23 LEU A 84 85.324 -15.792 -10.615 1.00 1.00 H new ATOM 1264 N ILE A 85 83.113 -11.143 -11.720 1.00 1.00 N ATOM 1265 CA ILE A 85 83.612 -9.844 -12.155 1.00 1.00 C ATOM 1266 C ILE A 85 84.461 -9.206 -11.050 1.00 1.00 C ATOM 1267 O ILE A 85 85.234 -8.286 -11.315 1.00 1.00 O ATOM 1268 CB ILE A 85 82.435 -8.918 -12.497 1.00 1.00 C ATOM 1269 CG1 ILE A 85 81.359 -9.711 -13.231 1.00 1.00 C ATOM 1270 CG2 ILE A 85 82.890 -7.768 -13.385 1.00 1.00 C ATOM 1271 CD1 ILE A 85 80.232 -8.795 -13.749 1.00 1.00 C ATOM 0 H ILE A 85 82.132 -11.322 -11.936 1.00 1.00 H new ATOM 0 HA ILE A 85 84.229 -9.987 -13.042 1.00 1.00 H new ATOM 0 HB ILE A 85 82.038 -8.512 -11.567 1.00 1.00 H new ATOM 0 HG12 ILE A 85 81.808 -10.246 -14.068 1.00 1.00 H new ATOM 0 HG13 ILE A 85 80.939 -10.462 -12.562 1.00 1.00 H new ATOM 0 HG21 ILE A 85 82.039 -7.126 -13.614 1.00 1.00 H new ATOM 0 HG22 ILE A 85 83.653 -7.188 -12.866 1.00 1.00 H new ATOM 0 HG23 ILE A 85 83.304 -8.166 -14.312 1.00 1.00 H new ATOM 0 HD11 ILE A 85 79.484 -9.396 -14.266 1.00 1.00 H new ATOM 0 HD12 ILE A 85 79.766 -8.280 -12.909 1.00 1.00 H new ATOM 0 HD13 ILE A 85 80.648 -8.061 -14.439 1.00 1.00 H new ATOM 1283 N ALA A 86 84.316 -9.698 -9.811 1.00 1.00 N ATOM 1284 CA ALA A 86 85.097 -9.139 -8.709 1.00 1.00 C ATOM 1285 C ALA A 86 86.582 -9.318 -8.988 1.00 1.00 C ATOM 1286 O ALA A 86 87.328 -8.352 -8.988 1.00 1.00 O ATOM 1287 CB ALA A 86 84.738 -9.832 -7.402 1.00 1.00 C ATOM 0 H ALA A 86 83.685 -10.458 -9.556 1.00 1.00 H new ATOM 0 HA ALA A 86 84.868 -8.077 -8.622 1.00 1.00 H new ATOM 0 HB1 ALA A 86 85.327 -9.406 -6.590 1.00 1.00 H new ATOM 0 HB2 ALA A 86 83.677 -9.690 -7.194 1.00 1.00 H new ATOM 0 HB3 ALA A 86 84.952 -10.898 -7.485 1.00 1.00 H new ATOM 1293 N GLU A 87 87.020 -10.566 -9.169 1.00 1.00 N ATOM 1294 CA GLU A 87 88.440 -10.859 -9.401 1.00 1.00 C ATOM 1295 C GLU A 87 89.091 -9.752 -10.238 1.00 1.00 C ATOM 1296 O GLU A 87 90.299 -9.516 -10.151 1.00 1.00 O ATOM 1297 CB GLU A 87 88.565 -12.202 -10.152 1.00 1.00 C ATOM 1298 CG GLU A 87 88.556 -13.380 -9.168 1.00 1.00 C ATOM 1299 CD GLU A 87 87.367 -13.263 -8.221 1.00 1.00 C ATOM 1300 OE1 GLU A 87 87.351 -12.331 -7.435 1.00 1.00 O ATOM 1301 OE2 GLU A 87 86.491 -14.110 -8.292 1.00 1.00 O ATOM 0 H GLU A 87 86.416 -11.388 -9.160 1.00 1.00 H new ATOM 0 HA GLU A 87 88.948 -10.916 -8.438 1.00 1.00 H new ATOM 0 HB2 GLU A 87 87.742 -12.306 -10.859 1.00 1.00 H new ATOM 0 HB3 GLU A 87 89.487 -12.215 -10.733 1.00 1.00 H new ATOM 0 HG2 GLU A 87 88.503 -14.321 -9.716 1.00 1.00 H new ATOM 0 HG3 GLU A 87 89.485 -13.395 -8.598 1.00 1.00 H new ATOM 1308 N ALA A 88 88.267 -9.045 -11.004 1.00 1.00 N ATOM 1309 CA ALA A 88 88.745 -7.925 -11.807 1.00 1.00 C ATOM 1310 C ALA A 88 88.399 -6.623 -11.101 1.00 1.00 C ATOM 1311 O ALA A 88 89.236 -5.718 -10.993 1.00 1.00 O ATOM 1312 CB ALA A 88 88.095 -7.947 -13.185 1.00 1.00 C ATOM 0 H ALA A 88 87.267 -9.227 -11.086 1.00 1.00 H new ATOM 0 HA ALA A 88 89.825 -8.006 -11.928 1.00 1.00 H new ATOM 0 HB1 ALA A 88 88.461 -7.106 -13.773 1.00 1.00 H new ATOM 0 HB2 ALA A 88 88.346 -8.880 -13.691 1.00 1.00 H new ATOM 0 HB3 ALA A 88 87.013 -7.872 -13.078 1.00 1.00 H new ATOM 1318 N VAL A 89 87.166 -6.555 -10.580 1.00 1.00 N ATOM 1319 CA VAL A 89 86.681 -5.397 -9.832 1.00 1.00 C ATOM 1320 C VAL A 89 86.771 -5.704 -8.337 1.00 1.00 C ATOM 1321 O VAL A 89 85.914 -5.293 -7.554 1.00 1.00 O ATOM 1322 CB VAL A 89 85.249 -4.988 -10.230 1.00 1.00 C ATOM 1323 CG1 VAL A 89 84.962 -3.542 -9.773 1.00 1.00 C ATOM 1324 CG2 VAL A 89 85.128 -5.055 -11.751 1.00 1.00 C ATOM 0 H VAL A 89 86.480 -7.304 -10.668 1.00 1.00 H new ATOM 0 HA VAL A 89 87.313 -4.543 -10.076 1.00 1.00 H new ATOM 0 HB VAL A 89 84.536 -5.662 -9.756 1.00 1.00 H new ATOM 0 HG11 VAL A 89 83.948 -3.264 -10.060 1.00 1.00 H new ATOM 0 HG12 VAL A 89 85.064 -3.476 -8.690 1.00 1.00 H new ATOM 0 HG13 VAL A 89 85.671 -2.863 -10.246 1.00 1.00 H new ATOM 0 HG21 VAL A 89 84.119 -4.768 -12.049 1.00 1.00 H new ATOM 0 HG22 VAL A 89 85.848 -4.373 -12.204 1.00 1.00 H new ATOM 0 HG23 VAL A 89 85.330 -6.072 -12.088 1.00 1.00 H new ATOM 1334 N GLY A 90 87.861 -6.408 -7.935 1.00 1.00 N ATOM 1335 CA GLY A 90 88.114 -6.738 -6.546 1.00 1.00 C ATOM 1336 C GLY A 90 88.295 -5.480 -5.681 1.00 1.00 C ATOM 1337 O GLY A 90 88.105 -5.590 -4.467 1.00 1.00 O ATOM 0 H GLY A 90 88.574 -6.752 -8.577 1.00 1.00 H new ATOM 0 HA2 GLY A 90 87.285 -7.330 -6.157 1.00 1.00 H new ATOM 0 HA3 GLY A 90 89.008 -7.357 -6.477 1.00 1.00 H new ATOM 1341 N PRO A 91 88.569 -4.267 -6.251 1.00 1.00 N ATOM 1342 CA PRO A 91 88.587 -2.954 -5.499 1.00 1.00 C ATOM 1343 C PRO A 91 87.581 -2.892 -4.343 1.00 1.00 C ATOM 1344 O PRO A 91 87.504 -1.889 -3.615 1.00 1.00 O ATOM 1345 CB PRO A 91 88.203 -1.937 -6.602 1.00 1.00 C ATOM 1346 CG PRO A 91 88.629 -2.540 -7.914 1.00 1.00 C ATOM 1347 CD PRO A 91 89.073 -3.994 -7.626 1.00 1.00 C ATOM 0 HA PRO A 91 89.550 -2.775 -5.020 1.00 1.00 H new ATOM 0 HB2 PRO A 91 87.130 -1.745 -6.595 1.00 1.00 H new ATOM 0 HB3 PRO A 91 88.699 -0.981 -6.436 1.00 1.00 H new ATOM 0 HG2 PRO A 91 87.807 -2.523 -8.630 1.00 1.00 H new ATOM 0 HG3 PRO A 91 89.446 -1.968 -8.353 1.00 1.00 H new ATOM 0 HD2 PRO A 91 88.650 -4.690 -8.350 1.00 1.00 H new ATOM 0 HD3 PRO A 91 90.157 -4.097 -7.680 1.00 1.00 H new ATOM 1355 N HIS A 92 86.856 -3.985 -4.145 1.00 1.00 N ATOM 1356 CA HIS A 92 85.936 -4.090 -3.059 1.00 1.00 C ATOM 1357 C HIS A 92 86.647 -3.685 -1.794 1.00 1.00 C ATOM 1358 O HIS A 92 86.007 -3.114 -0.896 1.00 1.00 O ATOM 1359 CB HIS A 92 85.483 -5.561 -2.888 1.00 1.00 C ATOM 1360 CG HIS A 92 84.632 -5.694 -1.647 1.00 1.00 C ATOM 1361 ND1 HIS A 92 85.155 -6.144 -0.441 1.00 1.00 N ATOM 1362 CD2 HIS A 92 83.305 -5.429 -1.405 1.00 1.00 C ATOM 1363 CE1 HIS A 92 84.152 -6.138 0.463 1.00 1.00 C ATOM 1364 NE2 HIS A 92 83.005 -5.712 -0.071 1.00 1.00 N ATOM 0 H HIS A 92 86.901 -4.812 -4.740 1.00 1.00 H new ATOM 0 HA HIS A 92 85.073 -3.454 -3.257 1.00 1.00 H new ATOM 0 HB2 HIS A 92 84.918 -5.881 -3.763 1.00 1.00 H new ATOM 0 HB3 HIS A 92 86.353 -6.213 -2.815 1.00 1.00 H new ATOM 0 HD2 HIS A 92 82.601 -5.058 -2.136 1.00 1.00 H new ATOM 0 HE1 HIS A 92 84.264 -6.441 1.493 1.00 1.00 H new ATOM 0 HE2 HIS A 92 82.103 -5.614 0.395 1.00 1.00 H new ATOM 1372 N LEU A 93 87.966 -3.896 -1.686 1.00 1.00 N ATOM 1373 CA LEU A 93 88.683 -3.465 -0.489 1.00 1.00 C ATOM 1374 C LEU A 93 88.534 -1.960 -0.390 1.00 1.00 C ATOM 1375 O LEU A 93 88.041 -1.444 0.602 1.00 1.00 O ATOM 1376 CB LEU A 93 90.173 -3.862 -0.633 1.00 1.00 C ATOM 1377 CG LEU A 93 90.685 -4.572 0.626 1.00 1.00 C ATOM 1378 CD1 LEU A 93 90.206 -6.035 0.641 1.00 1.00 C ATOM 1379 CD2 LEU A 93 92.219 -4.551 0.617 1.00 1.00 C ATOM 0 H LEU A 93 88.541 -4.351 -2.395 1.00 1.00 H new ATOM 0 HA LEU A 93 88.287 -3.934 0.412 1.00 1.00 H new ATOM 0 HB2 LEU A 93 90.296 -4.515 -1.497 1.00 1.00 H new ATOM 0 HB3 LEU A 93 90.772 -2.971 -0.820 1.00 1.00 H new ATOM 0 HG LEU A 93 90.302 -4.060 1.509 1.00 1.00 H new ATOM 0 HD11 LEU A 93 90.575 -6.530 1.539 1.00 1.00 H new ATOM 0 HD12 LEU A 93 89.116 -6.061 0.634 1.00 1.00 H new ATOM 0 HD13 LEU A 93 90.587 -6.552 -0.240 1.00 1.00 H new ATOM 0 HD21 LEU A 93 92.595 -5.053 1.508 1.00 1.00 H new ATOM 0 HD22 LEU A 93 92.585 -5.066 -0.271 1.00 1.00 H new ATOM 0 HD23 LEU A 93 92.569 -3.519 0.608 1.00 1.00 H new ATOM 1391 N ALA A 94 89.015 -1.242 -1.391 1.00 1.00 N ATOM 1392 CA ALA A 94 88.919 0.191 -1.346 1.00 1.00 C ATOM 1393 C ALA A 94 87.507 0.556 -0.910 1.00 1.00 C ATOM 1394 O ALA A 94 87.310 1.294 0.046 1.00 1.00 O ATOM 1395 CB ALA A 94 89.223 0.757 -2.732 1.00 1.00 C ATOM 0 H ALA A 94 89.464 -1.625 -2.223 1.00 1.00 H new ATOM 0 HA ALA A 94 89.636 0.610 -0.640 1.00 1.00 H new ATOM 0 HB1 ALA A 94 89.152 1.844 -2.705 1.00 1.00 H new ATOM 0 HB2 ALA A 94 90.230 0.467 -3.031 1.00 1.00 H new ATOM 0 HB3 ALA A 94 88.504 0.364 -3.451 1.00 1.00 H new ATOM 1401 N ARG A 95 86.528 -0.009 -1.573 1.00 1.00 N ATOM 1402 CA ARG A 95 85.168 0.221 -1.179 1.00 1.00 C ATOM 1403 C ARG A 95 84.967 -0.267 0.263 1.00 1.00 C ATOM 1404 O ARG A 95 84.083 0.215 0.974 1.00 1.00 O ATOM 1405 CB ARG A 95 84.220 -0.533 -2.113 1.00 1.00 C ATOM 1406 CG ARG A 95 84.108 0.170 -3.495 1.00 1.00 C ATOM 1407 CD ARG A 95 85.015 -0.466 -4.569 1.00 1.00 C ATOM 1408 NE ARG A 95 86.330 0.146 -4.523 1.00 1.00 N ATOM 1409 CZ ARG A 95 86.519 1.365 -5.017 1.00 1.00 C ATOM 1410 NH1 ARG A 95 85.509 2.026 -5.516 1.00 1.00 N ATOM 1411 NH2 ARG A 95 87.703 1.904 -4.999 1.00 1.00 N ATOM 0 H ARG A 95 86.649 -0.624 -2.378 1.00 1.00 H new ATOM 0 HA ARG A 95 84.951 1.288 -1.238 1.00 1.00 H new ATOM 0 HB2 ARG A 95 84.577 -1.554 -2.250 1.00 1.00 H new ATOM 0 HB3 ARG A 95 83.233 -0.600 -1.656 1.00 1.00 H new ATOM 0 HG2 ARG A 95 83.072 0.132 -3.833 1.00 1.00 H new ATOM 0 HG3 ARG A 95 84.369 1.222 -3.384 1.00 1.00 H new ATOM 0 HD2 ARG A 95 85.097 -1.540 -4.400 1.00 1.00 H new ATOM 0 HD3 ARG A 95 84.575 -0.331 -5.557 1.00 1.00 H new ATOM 0 HE ARG A 95 87.112 -0.362 -4.110 1.00 1.00 H new ATOM 0 HH11 ARG A 95 84.579 1.606 -5.525 1.00 1.00 H new ATOM 0 HH12 ARG A 95 85.650 2.962 -5.896 1.00 1.00 H new ATOM 0 HH21 ARG A 95 88.491 1.391 -4.605 1.00 1.00 H new ATOM 0 HH22 ARG A 95 87.843 2.840 -5.379 1.00 1.00 H new ATOM 1425 N ALA A 96 85.793 -1.220 0.692 1.00 1.00 N ATOM 1426 CA ALA A 96 85.674 -1.736 2.067 1.00 1.00 C ATOM 1427 C ALA A 96 85.814 -0.566 2.994 1.00 1.00 C ATOM 1428 O ALA A 96 84.992 -0.377 3.858 1.00 1.00 O ATOM 1429 CB ALA A 96 86.706 -2.821 2.383 1.00 1.00 C ATOM 0 H ALA A 96 86.533 -1.644 0.132 1.00 1.00 H new ATOM 0 HA ALA A 96 84.704 -2.218 2.191 1.00 1.00 H new ATOM 0 HB1 ALA A 96 86.571 -3.164 3.409 1.00 1.00 H new ATOM 0 HB2 ALA A 96 86.573 -3.660 1.700 1.00 1.00 H new ATOM 0 HB3 ALA A 96 87.710 -2.413 2.266 1.00 1.00 H new ATOM 1435 N LEU A 97 86.881 0.187 2.799 1.00 1.00 N ATOM 1436 CA LEU A 97 87.135 1.351 3.638 1.00 1.00 C ATOM 1437 C LEU A 97 85.745 1.990 3.979 1.00 1.00 C ATOM 1438 O LEU A 97 85.501 2.488 5.049 1.00 1.00 O ATOM 1439 CB LEU A 97 88.072 2.342 2.856 1.00 1.00 C ATOM 1440 CG LEU A 97 87.448 3.755 2.680 1.00 1.00 C ATOM 1441 CD1 LEU A 97 87.709 4.599 3.936 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.052 4.452 1.440 1.00 1.00 C ATOM 0 H LEU A 97 87.581 0.019 2.076 1.00 1.00 H new ATOM 0 HA LEU A 97 87.641 1.091 4.568 1.00 1.00 H new ATOM 0 HB2 LEU A 97 89.020 2.433 3.387 1.00 1.00 H new ATOM 0 HB3 LEU A 97 88.295 1.924 1.874 1.00 1.00 H new ATOM 0 HG LEU A 97 86.372 3.652 2.536 1.00 1.00 H new ATOM 0 HD11 LEU A 97 87.270 5.588 3.807 1.00 1.00 H new ATOM 0 HD12 LEU A 97 87.260 4.112 4.801 1.00 1.00 H new ATOM 0 HD13 LEU A 97 88.783 4.697 4.092 1.00 1.00 H new ATOM 0 HD21 LEU A 97 87.608 5.441 1.326 1.00 1.00 H new ATOM 0 HD22 LEU A 97 89.130 4.551 1.567 1.00 1.00 H new ATOM 0 HD23 LEU A 97 87.845 3.857 0.551 1.00 1.00 H new ATOM 1454 N GLY A 98 84.807 1.817 3.076 1.00 1.00 N ATOM 1455 CA GLY A 98 83.418 2.255 3.311 1.00 1.00 C ATOM 1456 C GLY A 98 82.646 1.210 4.158 1.00 1.00 C ATOM 1457 O GLY A 98 82.058 1.495 5.220 1.00 1.00 O ATOM 0 H GLY A 98 84.963 1.379 2.168 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.417 3.217 3.823 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.912 2.402 2.357 1.00 1.00 H new ATOM 1461 N GLN A 99 82.688 -0.025 3.684 1.00 1.00 N ATOM 1462 CA GLN A 99 82.064 -1.141 4.343 1.00 1.00 C ATOM 1463 C GLN A 99 82.956 -1.588 5.482 1.00 1.00 C ATOM 1464 O GLN A 99 82.689 -2.611 6.108 1.00 1.00 O ATOM 1465 CB GLN A 99 81.753 -2.296 3.356 1.00 1.00 C ATOM 1466 CG GLN A 99 80.310 -2.192 2.841 1.00 1.00 C ATOM 1467 CD GLN A 99 80.023 -3.318 1.856 1.00 1.00 C ATOM 1468 OE1 GLN A 99 80.461 -3.269 0.704 1.00 1.00 O ATOM 1469 NE2 GLN A 99 79.323 -4.346 2.247 1.00 1.00 N ATOM 0 H GLN A 99 83.165 -0.275 2.818 1.00 1.00 H new ATOM 0 HA GLN A 99 81.099 -0.831 4.745 1.00 1.00 H new ATOM 0 HB2 GLN A 99 82.448 -2.262 2.517 1.00 1.00 H new ATOM 0 HB3 GLN A 99 81.900 -3.255 3.852 1.00 1.00 H new ATOM 0 HG2 GLN A 99 79.613 -2.243 3.677 1.00 1.00 H new ATOM 0 HG3 GLN A 99 80.157 -1.227 2.357 1.00 1.00 H new ATOM 0 HE21 GLN A 99 78.962 -4.384 3.200 1.00 1.00 H new ATOM 0 HE22 GLN A 99 79.137 -5.112 1.600 1.00 1.00 H new ATOM 1478 N ILE A 100 84.015 -0.820 5.768 1.00 1.00 N ATOM 1479 CA ILE A 100 84.912 -1.173 6.840 1.00 1.00 C ATOM 1480 C ILE A 100 84.141 -1.207 8.118 1.00 1.00 C ATOM 1481 O ILE A 100 84.177 -2.186 8.848 1.00 1.00 O ATOM 1482 CB ILE A 100 86.027 -0.143 6.942 1.00 1.00 C ATOM 1483 CG1 ILE A 100 86.993 -0.506 8.054 1.00 1.00 C ATOM 1484 CG2 ILE A 100 85.443 1.236 7.243 1.00 1.00 C ATOM 1485 CD1 ILE A 100 88.226 0.403 7.966 1.00 1.00 C ATOM 0 H ILE A 100 84.257 0.037 5.270 1.00 1.00 H new ATOM 0 HA ILE A 100 85.353 -2.150 6.645 1.00 1.00 H new ATOM 0 HB ILE A 100 86.555 -0.128 5.989 1.00 1.00 H new ATOM 0 HG12 ILE A 100 86.510 -0.391 9.024 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.290 -1.551 7.968 1.00 1.00 H new ATOM 0 HG21 ILE A 100 86.250 1.965 7.314 1.00 1.00 H new ATOM 0 HG22 ILE A 100 84.762 1.525 6.443 1.00 1.00 H new ATOM 0 HG23 ILE A 100 84.900 1.203 8.188 1.00 1.00 H new ATOM 0 HD11 ILE A 100 88.924 0.147 8.763 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.711 0.265 7.000 1.00 1.00 H new ATOM 0 HD13 ILE A 100 87.919 1.444 8.073 1.00 1.00 H new ATOM 1497 N VAL A 101 83.407 -0.157 8.408 1.00 1.00 N ATOM 1498 CA VAL A 101 82.623 -0.214 9.635 1.00 1.00 C ATOM 1499 C VAL A 101 81.766 -1.464 9.558 1.00 1.00 C ATOM 1500 O VAL A 101 81.823 -2.313 10.439 1.00 1.00 O ATOM 1501 CB VAL A 101 81.741 1.028 9.781 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.624 0.821 10.824 1.00 1.00 C ATOM 1503 CG2 VAL A 101 82.614 2.208 10.202 1.00 1.00 C ATOM 0 H VAL A 101 83.331 0.698 7.857 1.00 1.00 H new ATOM 0 HA VAL A 101 83.280 -0.243 10.504 1.00 1.00 H new ATOM 0 HB VAL A 101 81.265 1.222 8.820 1.00 1.00 H new ATOM 0 HG11 VAL A 101 80.021 1.726 10.896 1.00 1.00 H new ATOM 0 HG12 VAL A 101 79.991 -0.013 10.519 1.00 1.00 H new ATOM 0 HG13 VAL A 101 81.069 0.603 11.795 1.00 1.00 H new ATOM 0 HG21 VAL A 101 81.995 3.099 10.309 1.00 1.00 H new ATOM 0 HG22 VAL A 101 83.094 1.984 11.154 1.00 1.00 H new ATOM 0 HG23 VAL A 101 83.377 2.385 9.444 1.00 1.00 H new ATOM 1513 N CYS A 102 80.956 -1.557 8.503 1.00 1.00 N ATOM 1514 CA CYS A 102 80.082 -2.706 8.356 1.00 1.00 C ATOM 1515 C CYS A 102 80.849 -3.982 8.669 1.00 1.00 C ATOM 1516 O CYS A 102 80.287 -4.971 9.093 1.00 1.00 O ATOM 1517 CB CYS A 102 79.541 -2.761 6.914 1.00 1.00 C ATOM 1518 SG CYS A 102 77.996 -3.721 6.822 1.00 1.00 S ATOM 0 H CYS A 102 80.891 -0.865 7.757 1.00 1.00 H new ATOM 0 HA CYS A 102 79.247 -2.615 9.051 1.00 1.00 H new ATOM 0 HB2 CYS A 102 79.365 -1.749 6.551 1.00 1.00 H new ATOM 0 HB3 CYS A 102 80.289 -3.209 6.260 1.00 1.00 H new ATOM 1523 N ARG A 103 82.156 -3.930 8.489 1.00 1.00 N ATOM 1524 CA ARG A 103 83.019 -5.095 8.767 1.00 1.00 C ATOM 1525 C ARG A 103 83.488 -5.175 10.234 1.00 1.00 C ATOM 1526 O ARG A 103 83.464 -6.236 10.874 1.00 1.00 O ATOM 1527 CB ARG A 103 84.255 -5.019 7.827 1.00 1.00 C ATOM 1528 CG ARG A 103 85.475 -5.800 8.373 1.00 1.00 C ATOM 1529 CD ARG A 103 85.201 -7.307 8.322 1.00 1.00 C ATOM 1530 NE ARG A 103 85.709 -7.824 7.070 1.00 1.00 N ATOM 1531 CZ ARG A 103 87.014 -7.890 6.860 1.00 1.00 C ATOM 1532 NH1 ARG A 103 87.836 -7.476 7.788 1.00 1.00 N ATOM 1533 NH2 ARG A 103 87.471 -8.342 5.732 1.00 1.00 N ATOM 0 H ARG A 103 82.654 -3.105 8.154 1.00 1.00 H new ATOM 0 HA ARG A 103 82.430 -5.994 8.586 1.00 1.00 H new ATOM 0 HB2 ARG A 103 83.985 -5.414 6.848 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.533 -3.975 7.684 1.00 1.00 H new ATOM 0 HG2 ARG A 103 86.361 -5.563 7.784 1.00 1.00 H new ATOM 0 HG3 ARG A 103 85.683 -5.495 9.399 1.00 1.00 H new ATOM 0 HD2 ARG A 103 85.682 -7.808 9.162 1.00 1.00 H new ATOM 0 HD3 ARG A 103 84.132 -7.501 8.406 1.00 1.00 H new ATOM 0 HE ARG A 103 85.060 -8.138 6.348 1.00 1.00 H new ATOM 0 HH11 ARG A 103 87.470 -7.106 8.665 1.00 1.00 H new ATOM 0 HH12 ARG A 103 88.843 -7.523 7.635 1.00 1.00 H new ATOM 0 HH21 ARG A 103 86.824 -8.647 5.005 1.00 1.00 H new ATOM 0 HH22 ARG A 103 88.477 -8.392 5.573 1.00 1.00 H new ATOM 1547 N TYR A 104 83.905 -4.029 10.713 1.00 1.00 N ATOM 1548 CA TYR A 104 84.420 -3.769 12.063 1.00 1.00 C ATOM 1549 C TYR A 104 83.329 -3.167 12.932 1.00 1.00 C ATOM 1550 O TYR A 104 83.606 -2.614 13.997 1.00 1.00 O ATOM 1551 CB TYR A 104 85.717 -2.906 12.025 1.00 1.00 C ATOM 1552 CG TYR A 104 85.835 -2.084 13.282 1.00 1.00 C ATOM 1553 CD1 TYR A 104 86.258 -2.673 14.480 1.00 1.00 C ATOM 1554 CD2 TYR A 104 85.429 -0.751 13.260 1.00 1.00 C ATOM 1555 CE1 TYR A 104 86.272 -1.917 15.659 1.00 1.00 C ATOM 1556 CE2 TYR A 104 85.453 0.006 14.429 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.870 -0.576 15.632 1.00 1.00 C ATOM 1558 OH TYR A 104 85.869 0.171 16.790 1.00 1.00 O ATOM 0 H TYR A 104 83.899 -3.185 10.141 1.00 1.00 H new ATOM 0 HA TYR A 104 84.710 -4.716 12.519 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.589 -3.552 11.922 1.00 1.00 H new ATOM 0 HB3 TYR A 104 85.701 -2.251 11.154 1.00 1.00 H new ATOM 0 HD1 TYR A 104 86.572 -3.706 14.495 1.00 1.00 H new ATOM 0 HD2 TYR A 104 85.095 -0.304 12.335 1.00 1.00 H new ATOM 0 HE1 TYR A 104 86.592 -2.367 16.587 1.00 1.00 H new ATOM 0 HE2 TYR A 104 85.150 1.042 14.407 1.00 1.00 H new ATOM 0 HH TYR A 104 85.563 1.081 16.592 1.00 1.00 H new ATOM 1568 N GLY A 105 82.075 -3.321 12.564 1.00 1.00 N ATOM 1569 CA GLY A 105 81.049 -2.795 13.429 1.00 1.00 C ATOM 1570 C GLY A 105 79.695 -3.363 13.092 1.00 1.00 C ATOM 1571 O GLY A 105 78.746 -3.120 13.822 1.00 1.00 O ATOM 0 H GLY A 105 81.754 -3.783 11.713 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.293 -3.026 14.466 1.00 1.00 H new ATOM 0 HA3 GLY A 105 81.021 -1.709 13.342 1.00 1.00 H new ATOM 1575 N ALA A 106 79.641 -4.109 11.975 1.00 1.00 N ATOM 1576 CA ALA A 106 78.410 -4.733 11.466 1.00 1.00 C ATOM 1577 C ALA A 106 77.304 -4.763 12.522 1.00 1.00 C ATOM 1578 O ALA A 106 76.853 -5.826 12.946 1.00 1.00 O ATOM 1579 CB ALA A 106 78.710 -6.167 10.961 1.00 1.00 C ATOM 0 H ALA A 106 80.459 -4.297 11.396 1.00 1.00 H new ATOM 0 HA ALA A 106 78.051 -4.125 10.636 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.792 -6.620 10.586 1.00 1.00 H new ATOM 0 HB2 ALA A 106 79.447 -6.124 10.159 1.00 1.00 H new ATOM 0 HB3 ALA A 106 79.102 -6.767 11.782 1.00 1.00 H new ATOM 1585 N THR A 107 76.869 -3.580 12.954 1.00 1.00 N ATOM 1586 CA THR A 107 75.829 -3.480 13.966 1.00 1.00 C ATOM 1587 C THR A 107 74.478 -3.177 13.306 1.00 1.00 C ATOM 1588 O THR A 107 73.463 -3.036 13.992 1.00 1.00 O ATOM 1589 CB THR A 107 76.179 -2.385 14.985 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.636 -1.241 14.281 1.00 1.00 O ATOM 1591 CG2 THR A 107 77.284 -2.860 15.971 1.00 1.00 C ATOM 0 H THR A 107 77.221 -2.684 12.618 1.00 1.00 H new ATOM 0 HA THR A 107 75.759 -4.433 14.490 1.00 1.00 H new ATOM 0 HB THR A 107 75.288 -2.150 15.567 1.00 1.00 H new ATOM 0 HG1 THR A 107 76.862 -0.533 14.919 1.00 1.00 H new ATOM 0 HG21 THR A 107 77.508 -2.062 16.678 1.00 1.00 H new ATOM 0 HG22 THR A 107 76.934 -3.738 16.514 1.00 1.00 H new ATOM 0 HG23 THR A 107 78.185 -3.114 15.413 1.00 1.00 H new ATOM 1599 N VAL A 108 74.490 -3.002 11.972 1.00 1.00 N ATOM 1600 CA VAL A 108 73.281 -2.672 11.238 1.00 1.00 C ATOM 1601 C VAL A 108 72.497 -3.920 10.892 1.00 1.00 C ATOM 1602 O VAL A 108 71.330 -4.055 11.277 1.00 1.00 O ATOM 1603 CB VAL A 108 73.624 -1.925 9.959 1.00 1.00 C ATOM 1604 CG1 VAL A 108 74.531 -2.788 9.065 1.00 1.00 C ATOM 1605 CG2 VAL A 108 72.315 -1.601 9.231 1.00 1.00 C ATOM 0 H VAL A 108 75.326 -3.086 11.393 1.00 1.00 H new ATOM 0 HA VAL A 108 72.669 -2.037 11.878 1.00 1.00 H new ATOM 0 HB VAL A 108 74.160 -1.005 10.194 1.00 1.00 H new ATOM 0 HG11 VAL A 108 74.769 -2.241 8.153 1.00 1.00 H new ATOM 0 HG12 VAL A 108 75.452 -3.021 9.599 1.00 1.00 H new ATOM 0 HG13 VAL A 108 74.015 -3.714 8.809 1.00 1.00 H new ATOM 0 HG21 VAL A 108 72.535 -1.064 8.308 1.00 1.00 H new ATOM 0 HG22 VAL A 108 71.791 -2.527 8.996 1.00 1.00 H new ATOM 0 HG23 VAL A 108 71.687 -0.981 9.871 1.00 1.00 H new ATOM 1615 N ILE A 109 73.142 -4.851 10.168 1.00 1.00 N ATOM 1616 CA ILE A 109 72.526 -6.101 9.771 1.00 1.00 C ATOM 1617 C ILE A 109 71.823 -6.768 10.920 1.00 1.00 C ATOM 1618 O ILE A 109 70.729 -7.289 10.735 1.00 1.00 O ATOM 1619 CB ILE A 109 73.630 -7.100 9.180 1.00 1.00 C ATOM 1620 CG1 ILE A 109 74.012 -8.320 10.130 1.00 1.00 C ATOM 1621 CG2 ILE A 109 74.945 -6.341 8.916 1.00 1.00 C ATOM 1622 CD1 ILE A 109 74.344 -9.568 9.309 1.00 1.00 C ATOM 0 H ILE A 109 74.105 -4.745 9.848 1.00 1.00 H new ATOM 0 HA ILE A 109 71.786 -5.867 9.005 1.00 1.00 H new ATOM 0 HB ILE A 109 73.170 -7.499 8.276 1.00 1.00 H new ATOM 0 HG12 ILE A 109 74.867 -8.050 10.750 1.00 1.00 H new ATOM 0 HG13 ILE A 109 73.183 -8.534 10.805 1.00 1.00 H new ATOM 0 HG21 ILE A 109 75.688 -7.030 8.514 1.00 1.00 H new ATOM 0 HG22 ILE A 109 74.766 -5.541 8.197 1.00 1.00 H new ATOM 0 HG23 ILE A 109 75.312 -5.914 9.849 1.00 1.00 H new ATOM 0 HD11 ILE A 109 74.602 -10.387 9.980 1.00 1.00 H new ATOM 0 HD12 ILE A 109 73.479 -9.849 8.709 1.00 1.00 H new ATOM 0 HD13 ILE A 109 75.188 -9.358 8.653 1.00 1.00 H new ATOM 1634 N PRO A 110 72.460 -6.886 12.083 1.00 1.00 N ATOM 1635 CA PRO A 110 71.882 -7.678 13.193 1.00 1.00 C ATOM 1636 C PRO A 110 70.395 -7.503 13.364 1.00 1.00 C ATOM 1637 O PRO A 110 69.696 -8.461 13.684 1.00 1.00 O ATOM 1638 CB PRO A 110 72.651 -7.190 14.444 1.00 1.00 C ATOM 1639 CG PRO A 110 73.447 -6.022 13.983 1.00 1.00 C ATOM 1640 CD PRO A 110 73.769 -6.320 12.527 1.00 1.00 C ATOM 0 HA PRO A 110 71.992 -8.746 13.002 1.00 1.00 H new ATOM 0 HB2 PRO A 110 71.965 -6.908 15.243 1.00 1.00 H new ATOM 0 HB3 PRO A 110 73.296 -7.974 14.840 1.00 1.00 H new ATOM 0 HG2 PRO A 110 72.882 -5.095 14.081 1.00 1.00 H new ATOM 0 HG3 PRO A 110 74.356 -5.905 14.573 1.00 1.00 H new ATOM 0 HD2 PRO A 110 74.047 -5.425 11.970 1.00 1.00 H new ATOM 0 HD3 PRO A 110 74.589 -7.030 12.418 1.00 1.00 H new ATOM 1648 N ASN A 111 69.914 -6.299 13.212 1.00 1.00 N ATOM 1649 CA ASN A 111 68.504 -6.074 13.432 1.00 1.00 C ATOM 1650 C ASN A 111 67.674 -6.827 12.393 1.00 1.00 C ATOM 1651 O ASN A 111 66.938 -7.775 12.710 1.00 1.00 O ATOM 1652 CB ASN A 111 68.245 -4.573 13.315 1.00 1.00 C ATOM 1653 CG ASN A 111 69.336 -3.792 14.057 1.00 1.00 C ATOM 1654 OD1 ASN A 111 69.521 -3.966 15.262 1.00 1.00 O ATOM 1655 ND2 ASN A 111 70.079 -2.939 13.396 1.00 1.00 N ATOM 0 H ASN A 111 70.456 -5.477 12.945 1.00 1.00 H new ATOM 0 HA ASN A 111 68.218 -6.437 14.419 1.00 1.00 H new ATOM 0 HB2 ASN A 111 68.227 -4.280 12.265 1.00 1.00 H new ATOM 0 HB3 ASN A 111 67.267 -4.331 13.731 1.00 1.00 H new ATOM 0 HD21 ASN A 111 70.811 -2.419 13.879 1.00 1.00 H new ATOM 0 HD22 ASN A 111 69.925 -2.795 12.398 1.00 1.00 H new ATOM 1662 N ILE A 112 67.776 -6.384 11.156 1.00 1.00 N ATOM 1663 CA ILE A 112 67.014 -6.970 10.060 1.00 1.00 C ATOM 1664 C ILE A 112 67.510 -8.368 9.754 1.00 1.00 C ATOM 1665 O ILE A 112 66.807 -9.175 9.164 1.00 1.00 O ATOM 1666 CB ILE A 112 67.153 -6.058 8.780 1.00 1.00 C ATOM 1667 CG1 ILE A 112 68.040 -6.720 7.638 1.00 1.00 C ATOM 1668 CG2 ILE A 112 67.758 -4.704 9.188 1.00 1.00 C ATOM 1669 CD1 ILE A 112 68.905 -5.711 6.855 1.00 1.00 C ATOM 0 H ILE A 112 68.384 -5.613 10.878 1.00 1.00 H new ATOM 0 HA ILE A 112 65.966 -7.034 10.352 1.00 1.00 H new ATOM 0 HB ILE A 112 66.154 -5.926 8.365 1.00 1.00 H new ATOM 0 HG12 ILE A 112 68.691 -7.471 8.086 1.00 1.00 H new ATOM 0 HG13 ILE A 112 67.386 -7.242 6.940 1.00 1.00 H new ATOM 0 HG21 ILE A 112 67.857 -4.069 8.307 1.00 1.00 H new ATOM 0 HG22 ILE A 112 67.106 -4.218 9.914 1.00 1.00 H new ATOM 0 HG23 ILE A 112 68.741 -4.864 9.632 1.00 1.00 H new ATOM 0 HD11 ILE A 112 69.481 -6.238 6.094 1.00 1.00 H new ATOM 0 HD12 ILE A 112 68.260 -4.974 6.376 1.00 1.00 H new ATOM 0 HD13 ILE A 112 69.586 -5.207 7.541 1.00 1.00 H new ATOM 1681 N ASN A 113 68.764 -8.584 10.094 1.00 1.00 N ATOM 1682 CA ASN A 113 69.423 -9.836 9.768 1.00 1.00 C ATOM 1683 C ASN A 113 68.646 -10.994 10.286 1.00 1.00 C ATOM 1684 O ASN A 113 68.194 -11.830 9.514 1.00 1.00 O ATOM 1685 CB ASN A 113 70.850 -9.862 10.311 1.00 1.00 C ATOM 1686 CG ASN A 113 71.419 -11.285 10.334 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.629 -11.893 9.283 1.00 1.00 O ATOM 1688 ND2 ASN A 113 71.678 -11.849 11.483 1.00 1.00 N ATOM 0 H ASN A 113 69.347 -7.913 10.594 1.00 1.00 H new ATOM 0 HA ASN A 113 69.472 -9.914 8.682 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.486 -9.225 9.696 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.864 -9.448 11.319 1.00 1.00 H new ATOM 0 HD21 ASN A 113 72.056 -12.796 11.513 1.00 1.00 H new ATOM 0 HD22 ASN A 113 71.503 -11.342 12.351 1.00 1.00 H new ATOM 1695 N ALA A 114 68.500 -11.037 11.585 1.00 1.00 N ATOM 1696 CA ALA A 114 67.781 -12.096 12.227 1.00 1.00 C ATOM 1697 C ALA A 114 66.321 -12.054 11.830 1.00 1.00 C ATOM 1698 O ALA A 114 65.624 -13.064 11.902 1.00 1.00 O ATOM 1699 CB ALA A 114 67.915 -11.964 13.738 1.00 1.00 C ATOM 0 H ALA A 114 68.878 -10.337 12.224 1.00 1.00 H new ATOM 0 HA ALA A 114 68.200 -13.052 11.912 1.00 1.00 H new ATOM 0 HB1 ALA A 114 67.367 -12.771 14.224 1.00 1.00 H new ATOM 0 HB2 ALA A 114 68.967 -12.021 14.016 1.00 1.00 H new ATOM 0 HB3 ALA A 114 67.507 -11.005 14.057 1.00 1.00 H new ATOM 1705 N ALA A 115 65.863 -10.898 11.355 1.00 1.00 N ATOM 1706 CA ALA A 115 64.481 -10.779 10.928 1.00 1.00 C ATOM 1707 C ALA A 115 64.235 -11.458 9.570 1.00 1.00 C ATOM 1708 O ALA A 115 63.445 -12.409 9.464 1.00 1.00 O ATOM 1709 CB ALA A 115 64.147 -9.291 10.806 1.00 1.00 C ATOM 0 H ALA A 115 66.420 -10.049 11.259 1.00 1.00 H new ATOM 0 HA ALA A 115 63.848 -11.274 11.665 1.00 1.00 H new ATOM 0 HB1 ALA A 115 63.112 -9.176 10.486 1.00 1.00 H new ATOM 0 HB2 ALA A 115 64.284 -8.807 11.773 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.807 -8.829 10.072 1.00 1.00 H new ATOM 1715 N ILE A 116 64.894 -10.996 8.518 1.00 1.00 N ATOM 1716 CA ILE A 116 64.662 -11.576 7.195 1.00 1.00 C ATOM 1717 C ILE A 116 65.186 -13.000 7.109 1.00 1.00 C ATOM 1718 O ILE A 116 64.580 -13.866 6.477 1.00 1.00 O ATOM 1719 CB ILE A 116 65.334 -10.692 6.125 1.00 1.00 C ATOM 1720 CG1 ILE A 116 66.866 -10.707 6.307 1.00 1.00 C ATOM 1721 CG2 ILE A 116 64.816 -9.254 6.264 1.00 1.00 C ATOM 1722 CD1 ILE A 116 67.547 -9.829 5.252 1.00 1.00 C ATOM 0 H ILE A 116 65.578 -10.240 8.546 1.00 1.00 H new ATOM 0 HA ILE A 116 63.587 -11.613 7.019 1.00 1.00 H new ATOM 0 HB ILE A 116 65.093 -11.080 5.135 1.00 1.00 H new ATOM 0 HG12 ILE A 116 67.122 -10.350 7.304 1.00 1.00 H new ATOM 0 HG13 ILE A 116 67.236 -11.729 6.230 1.00 1.00 H new ATOM 0 HG21 ILE A 116 65.287 -8.623 5.510 1.00 1.00 H new ATOM 0 HG22 ILE A 116 63.735 -9.241 6.124 1.00 1.00 H new ATOM 0 HG23 ILE A 116 65.057 -8.875 7.257 1.00 1.00 H new ATOM 0 HD11 ILE A 116 68.627 -9.854 5.399 1.00 1.00 H new ATOM 0 HD12 ILE A 116 67.308 -10.204 4.257 1.00 1.00 H new ATOM 0 HD13 ILE A 116 67.192 -8.803 5.348 1.00 1.00 H new ATOM 1734 N GLU A 117 66.348 -13.211 7.692 1.00 1.00 N ATOM 1735 CA GLU A 117 66.994 -14.511 7.634 1.00 1.00 C ATOM 1736 C GLU A 117 66.011 -15.601 7.963 1.00 1.00 C ATOM 1737 O GLU A 117 65.695 -16.450 7.110 1.00 1.00 O ATOM 1738 CB GLU A 117 68.172 -14.559 8.614 1.00 1.00 C ATOM 1739 CG GLU A 117 68.484 -16.011 9.029 1.00 1.00 C ATOM 1740 CD GLU A 117 69.923 -16.134 9.520 1.00 1.00 C ATOM 1741 OE1 GLU A 117 70.821 -15.879 8.735 1.00 1.00 O ATOM 1742 OE2 GLU A 117 70.100 -16.483 10.673 1.00 1.00 O ATOM 0 H GLU A 117 66.866 -12.502 8.211 1.00 1.00 H new ATOM 0 HA GLU A 117 67.366 -14.668 6.621 1.00 1.00 H new ATOM 0 HB2 GLU A 117 69.052 -14.111 8.153 1.00 1.00 H new ATOM 0 HB3 GLU A 117 67.939 -13.966 9.498 1.00 1.00 H new ATOM 0 HG2 GLU A 117 67.798 -16.325 9.816 1.00 1.00 H new ATOM 0 HG3 GLU A 117 68.325 -16.679 8.182 1.00 1.00 H new ATOM 1749 N VAL A 118 65.563 -15.586 9.214 1.00 1.00 N ATOM 1750 CA VAL A 118 64.638 -16.581 9.681 1.00 1.00 C ATOM 1751 C VAL A 118 63.490 -16.686 8.715 1.00 1.00 C ATOM 1752 O VAL A 118 62.761 -17.677 8.719 1.00 1.00 O ATOM 1753 CB VAL A 118 64.110 -16.217 11.074 1.00 1.00 C ATOM 1754 CG1 VAL A 118 63.114 -17.286 11.542 1.00 1.00 C ATOM 1755 CG2 VAL A 118 65.280 -16.146 12.056 1.00 1.00 C ATOM 0 H VAL A 118 65.832 -14.893 9.912 1.00 1.00 H new ATOM 0 HA VAL A 118 65.154 -17.539 9.747 1.00 1.00 H new ATOM 0 HB VAL A 118 63.609 -15.250 11.032 1.00 1.00 H new ATOM 0 HG11 VAL A 118 62.740 -17.026 12.532 1.00 1.00 H new ATOM 0 HG12 VAL A 118 62.281 -17.339 10.841 1.00 1.00 H new ATOM 0 HG13 VAL A 118 63.613 -18.254 11.586 1.00 1.00 H new ATOM 0 HG21 VAL A 118 64.908 -15.887 13.047 1.00 1.00 H new ATOM 0 HG22 VAL A 118 65.780 -17.114 12.097 1.00 1.00 H new ATOM 0 HG23 VAL A 118 65.988 -15.386 11.725 1.00 1.00 H new ATOM 1765 N LEU A 119 63.361 -15.697 7.824 1.00 1.00 N ATOM 1766 CA LEU A 119 62.322 -15.781 6.815 1.00 1.00 C ATOM 1767 C LEU A 119 62.773 -16.716 5.695 1.00 1.00 C ATOM 1768 O LEU A 119 62.125 -17.743 5.478 1.00 1.00 O ATOM 1769 CB LEU A 119 62.027 -14.388 6.256 1.00 1.00 C ATOM 1770 CG LEU A 119 60.538 -14.257 5.889 1.00 1.00 C ATOM 1771 CD1 LEU A 119 60.155 -15.364 4.887 1.00 1.00 C ATOM 1772 CD2 LEU A 119 59.657 -14.333 7.160 1.00 1.00 C ATOM 0 H LEU A 119 63.944 -14.861 7.786 1.00 1.00 H new ATOM 0 HA LEU A 119 61.411 -16.177 7.264 1.00 1.00 H new ATOM 0 HB2 LEU A 119 62.294 -13.630 6.993 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.642 -14.206 5.375 1.00 1.00 H new ATOM 0 HG LEU A 119 60.367 -13.287 5.423 1.00 1.00 H new ATOM 0 HD11 LEU A 119 59.100 -15.271 4.627 1.00 1.00 H new ATOM 0 HD12 LEU A 119 60.761 -15.265 3.986 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.333 -16.340 5.338 1.00 1.00 H new ATOM 0 HD21 LEU A 119 58.607 -14.239 6.881 1.00 1.00 H new ATOM 0 HD22 LEU A 119 59.816 -15.290 7.656 1.00 1.00 H new ATOM 0 HD23 LEU A 119 59.926 -13.524 7.838 1.00 1.00 H new ATOM 1784 N GLY A 120 63.858 -16.408 4.957 1.00 1.00 N ATOM 1785 CA GLY A 120 64.236 -17.343 3.872 1.00 1.00 C ATOM 1786 C GLY A 120 64.779 -18.658 4.414 1.00 1.00 C ATOM 1787 O GLY A 120 64.048 -19.645 4.557 1.00 1.00 O ATOM 0 H GLY A 120 64.450 -15.586 5.074 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.367 -17.541 3.245 1.00 1.00 H new ATOM 0 HA3 GLY A 120 64.988 -16.875 3.236 1.00 1.00 H new ATOM 1791 N THR A 121 66.075 -18.674 4.713 1.00 1.00 N ATOM 1792 CA THR A 121 66.736 -19.877 5.226 1.00 1.00 C ATOM 1793 C THR A 121 68.072 -19.505 5.900 1.00 1.00 C ATOM 1794 O THR A 121 68.614 -20.277 6.697 1.00 1.00 O ATOM 1795 CB THR A 121 66.964 -20.872 4.076 1.00 1.00 C ATOM 1796 OG1 THR A 121 65.705 -21.355 3.622 1.00 1.00 O ATOM 1797 CG2 THR A 121 67.806 -22.044 4.584 1.00 1.00 C ATOM 0 H THR A 121 66.692 -17.868 4.610 1.00 1.00 H new ATOM 0 HA THR A 121 66.098 -20.347 5.974 1.00 1.00 H new ATOM 0 HB THR A 121 67.484 -20.378 3.256 1.00 1.00 H new ATOM 0 HG1 THR A 121 64.990 -20.974 4.173 1.00 1.00 H new ATOM 0 HG21 THR A 121 67.971 -22.753 3.772 1.00 1.00 H new ATOM 0 HG22 THR A 121 68.766 -21.674 4.943 1.00 1.00 H new ATOM 0 HG23 THR A 121 67.282 -22.542 5.400 1.00 1.00 H new ATOM 1805 N GLY A 122 68.583 -18.316 5.556 1.00 1.00 N ATOM 1806 CA GLY A 122 69.844 -17.749 6.075 1.00 1.00 C ATOM 1807 C GLY A 122 70.931 -17.672 4.995 1.00 1.00 C ATOM 1808 O GLY A 122 71.747 -16.748 5.031 1.00 1.00 O ATOM 0 H GLY A 122 68.119 -17.700 4.889 1.00 1.00 H new ATOM 0 HA2 GLY A 122 69.656 -16.751 6.471 1.00 1.00 H new ATOM 0 HA3 GLY A 122 70.201 -18.359 6.905 1.00 1.00 H new ATOM 1812 N THR A 123 71.003 -18.637 4.090 1.00 1.00 N ATOM 1813 CA THR A 123 72.053 -18.636 3.062 1.00 1.00 C ATOM 1814 C THR A 123 72.464 -17.219 2.646 1.00 1.00 C ATOM 1815 O THR A 123 71.897 -16.637 1.721 1.00 1.00 O ATOM 1816 CB THR A 123 71.511 -19.334 1.823 1.00 1.00 C ATOM 1817 OG1 THR A 123 72.244 -18.914 0.680 1.00 1.00 O ATOM 1818 CG2 THR A 123 70.041 -18.955 1.660 1.00 1.00 C ATOM 0 H THR A 123 70.358 -19.426 4.040 1.00 1.00 H new ATOM 0 HA THR A 123 72.924 -19.141 3.481 1.00 1.00 H new ATOM 0 HB THR A 123 71.609 -20.415 1.927 1.00 1.00 H new ATOM 0 HG1 THR A 123 72.070 -17.964 0.511 1.00 1.00 H new ATOM 0 HG21 THR A 123 69.634 -19.446 0.776 1.00 1.00 H new ATOM 0 HG22 THR A 123 69.483 -19.273 2.541 1.00 1.00 H new ATOM 0 HG23 THR A 123 69.954 -17.874 1.547 1.00 1.00 H new ATOM 1826 N ASP A 124 73.498 -16.699 3.297 1.00 1.00 N ATOM 1827 CA ASP A 124 74.035 -15.382 2.971 1.00 1.00 C ATOM 1828 C ASP A 124 75.559 -15.466 3.090 1.00 1.00 C ATOM 1829 O ASP A 124 76.086 -16.165 3.955 1.00 1.00 O ATOM 1830 CB ASP A 124 73.452 -14.323 3.923 1.00 1.00 C ATOM 1831 CG ASP A 124 73.979 -12.949 3.548 1.00 1.00 C ATOM 1832 OD1 ASP A 124 75.158 -12.714 3.745 1.00 1.00 O ATOM 1833 OD2 ASP A 124 73.193 -12.147 3.066 1.00 1.00 O ATOM 0 H ASP A 124 73.984 -17.172 4.059 1.00 1.00 H new ATOM 0 HA ASP A 124 73.761 -15.086 1.958 1.00 1.00 H new ATOM 0 HB2 ASP A 124 72.363 -14.332 3.869 1.00 1.00 H new ATOM 0 HB3 ASP A 124 73.722 -14.558 4.952 1.00 1.00 H new ATOM 1838 N TYR A 125 76.255 -14.796 2.185 1.00 1.00 N ATOM 1839 CA TYR A 125 77.709 -14.830 2.148 1.00 1.00 C ATOM 1840 C TYR A 125 78.234 -13.557 1.512 1.00 1.00 C ATOM 1841 O TYR A 125 77.640 -13.041 0.565 1.00 1.00 O ATOM 1842 CB TYR A 125 78.170 -16.032 1.320 1.00 1.00 C ATOM 1843 CG TYR A 125 79.566 -15.782 0.779 1.00 1.00 C ATOM 1844 CD1 TYR A 125 80.662 -15.790 1.647 1.00 1.00 C ATOM 1845 CD2 TYR A 125 79.755 -15.522 -0.585 1.00 1.00 C ATOM 1846 CE1 TYR A 125 81.945 -15.544 1.154 1.00 1.00 C ATOM 1847 CE2 TYR A 125 81.040 -15.276 -1.079 1.00 1.00 C ATOM 1848 CZ TYR A 125 82.135 -15.287 -0.209 1.00 1.00 C ATOM 1849 OH TYR A 125 83.403 -15.048 -0.696 1.00 1.00 O ATOM 0 H TYR A 125 75.832 -14.217 1.460 1.00 1.00 H new ATOM 0 HA TYR A 125 78.092 -14.914 3.165 1.00 1.00 H new ATOM 0 HB2 TYR A 125 78.165 -16.932 1.935 1.00 1.00 H new ATOM 0 HB3 TYR A 125 77.477 -16.205 0.497 1.00 1.00 H new ATOM 0 HD1 TYR A 125 80.516 -15.986 2.699 1.00 1.00 H new ATOM 0 HD2 TYR A 125 78.908 -15.512 -1.255 1.00 1.00 H new ATOM 0 HE1 TYR A 125 82.791 -15.552 1.825 1.00 1.00 H new ATOM 0 HE2 TYR A 125 81.187 -15.078 -2.131 1.00 1.00 H new ATOM 0 HH TYR A 125 83.354 -14.857 -1.656 1.00 1.00 H new ATOM 1859 N ARG A 126 79.398 -13.122 1.979 1.00 1.00 N ATOM 1860 CA ARG A 126 80.067 -11.943 1.432 1.00 1.00 C ATOM 1861 C ARG A 126 81.599 -12.098 1.510 1.00 1.00 C ATOM 1862 O ARG A 126 82.124 -12.794 2.387 1.00 1.00 O ATOM 1863 CB ARG A 126 79.658 -10.694 2.223 1.00 1.00 C ATOM 1864 CG ARG A 126 78.216 -10.240 1.884 1.00 1.00 C ATOM 1865 CD ARG A 126 78.220 -9.185 0.771 1.00 1.00 C ATOM 1866 NE ARG A 126 78.635 -9.780 -0.496 1.00 1.00 N ATOM 1867 CZ ARG A 126 77.762 -10.428 -1.270 1.00 1.00 C ATOM 1868 NH1 ARG A 126 76.526 -10.578 -0.876 1.00 1.00 N ATOM 1869 NH2 ARG A 126 78.142 -10.924 -2.418 1.00 1.00 N ATOM 0 H ARG A 126 79.904 -13.571 2.742 1.00 1.00 H new ATOM 0 HA ARG A 126 79.768 -11.840 0.389 1.00 1.00 H new ATOM 0 HB2 ARG A 126 79.732 -10.901 3.291 1.00 1.00 H new ATOM 0 HB3 ARG A 126 80.354 -9.883 2.006 1.00 1.00 H new ATOM 0 HG2 ARG A 126 77.624 -11.100 1.572 1.00 1.00 H new ATOM 0 HG3 ARG A 126 77.740 -9.832 2.776 1.00 1.00 H new ATOM 0 HD2 ARG A 126 77.225 -8.753 0.668 1.00 1.00 H new ATOM 0 HD3 ARG A 126 78.895 -8.371 1.036 1.00 1.00 H new ATOM 0 HE ARG A 126 79.607 -9.699 -0.794 1.00 1.00 H new ATOM 0 HH11 ARG A 126 76.228 -10.200 0.023 1.00 1.00 H new ATOM 0 HH12 ARG A 126 75.859 -11.073 -1.467 1.00 1.00 H new ATOM 0 HH21 ARG A 126 79.109 -10.816 -2.725 1.00 1.00 H new ATOM 0 HH22 ARG A 126 77.472 -11.419 -3.007 1.00 1.00 H new ATOM 1883 N PHE A 127 82.319 -11.442 0.588 1.00 1.00 N ATOM 1884 CA PHE A 127 83.788 -11.501 0.559 1.00 1.00 C ATOM 1885 C PHE A 127 84.381 -10.130 0.903 1.00 1.00 C ATOM 1886 O PHE A 127 85.519 -10.086 1.343 1.00 1.00 O ATOM 1887 CB PHE A 127 84.255 -11.943 -0.837 1.00 1.00 C ATOM 1888 CG PHE A 127 84.115 -10.801 -1.821 1.00 1.00 C ATOM 1889 CD1 PHE A 127 82.866 -10.500 -2.380 1.00 1.00 C ATOM 1890 CD2 PHE A 127 85.237 -10.040 -2.165 1.00 1.00 C ATOM 1891 CE1 PHE A 127 82.743 -9.439 -3.282 1.00 1.00 C ATOM 1892 CE2 PHE A 127 85.114 -8.979 -3.066 1.00 1.00 C ATOM 1893 CZ PHE A 127 83.867 -8.677 -3.626 1.00 1.00 C ATOM 1894 OXT PHE A 127 83.689 -9.144 0.708 1.00 1.00 O ATOM 0 H PHE A 127 81.909 -10.865 -0.146 1.00 1.00 H new ATOM 0 HA PHE A 127 84.132 -12.223 1.300 1.00 1.00 H new ATOM 0 HB2 PHE A 127 85.294 -12.270 -0.794 1.00 1.00 H new ATOM 0 HB3 PHE A 127 83.665 -12.796 -1.173 1.00 1.00 H new ATOM 0 HD1 PHE A 127 81.999 -11.087 -2.114 1.00 1.00 H new ATOM 0 HD2 PHE A 127 86.199 -10.273 -1.734 1.00 1.00 H new ATOM 0 HE1 PHE A 127 81.781 -9.207 -3.714 1.00 1.00 H new ATOM 0 HE2 PHE A 127 85.981 -8.392 -3.330 1.00 1.00 H new ATOM 0 HZ PHE A 127 83.772 -7.857 -4.323 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 66.584 4.885 -10.090 1.00 1.00 O HETATM 1906 N1 MTN A 128 66.277 4.235 -9.048 1.00 1.00 N HETATM 1907 C1 MTN A 128 66.242 2.766 -8.998 1.00 1.00 C HETATM 1908 C2 MTN A 128 65.850 2.564 -7.565 1.00 1.00 C HETATM 1909 C3 MTN A 128 65.668 3.688 -6.892 1.00 1.00 C HETATM 1910 C4 MTN A 128 65.230 3.780 -5.450 1.00 1.00 C HETATM 1911 S1 MTN A 128 66.493 4.329 -4.278 1.00 1.00 S HETATM 1912 C5 MTN A 128 65.916 4.914 -7.748 1.00 1.00 C HETATM 1913 C6 MTN A 128 64.699 5.846 -7.795 1.00 1.00 C HETATM 1914 C7 MTN A 128 67.135 5.667 -7.233 1.00 1.00 C HETATM 1915 C8 MTN A 128 65.174 2.179 -9.921 1.00 1.00 C HETATM 1916 C9 MTN A 128 67.634 2.237 -9.332 1.00 1.00 C HETATM 0 H93 MTN A 128 67.919 2.568 -10.330 1.00 1.00 H new HETATM 0 H92 MTN A 128 68.352 2.617 -8.605 1.00 1.00 H new HETATM 0 H91 MTN A 128 67.627 1.148 -9.300 1.00 1.00 H new HETATM 0 H83 MTN A 128 64.193 2.550 -9.624 1.00 1.00 H new HETATM 0 H82 MTN A 128 65.379 2.476 -10.949 1.00 1.00 H new HETATM 0 H81 MTN A 128 65.188 1.092 -9.848 1.00 1.00 H new HETATM 0 H73 MTN A 128 67.953 4.966 -7.069 1.00 1.00 H new HETATM 0 H72 MTN A 128 67.439 6.413 -7.967 1.00 1.00 H new HETATM 0 H71 MTN A 128 66.887 6.162 -6.294 1.00 1.00 H new HETATM 0 H63 MTN A 128 64.880 6.645 -8.514 1.00 1.00 H new HETATM 0 H62 MTN A 128 63.818 5.279 -8.096 1.00 1.00 H new HETATM 0 H61 MTN A 128 64.533 6.278 -6.808 1.00 1.00 H new HETATM 0 H42 MTN A 128 64.383 4.464 -5.390 1.00 1.00 H new HETATM 0 H41 MTN A 128 64.871 2.800 -5.136 1.00 1.00 H new HETATM 0 H2 MTN A 128 65.726 1.578 -7.117 1.00 1.00 H new HETATM 1932 O1 MTN A 129 70.974 -9.830 -5.409 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.521 -8.813 -4.804 1.00 1.00 N HETATM 1934 C1 MTN A 129 69.447 -7.956 -5.352 1.00 1.00 C HETATM 1935 C2 MTN A 129 69.331 -6.958 -4.261 1.00 1.00 C HETATM 1936 C3 MTN A 129 70.162 -7.166 -3.257 1.00 1.00 C HETATM 1937 C4 MTN A 129 70.261 -6.317 -2.030 1.00 1.00 C HETATM 1938 S1 MTN A 129 69.393 -4.730 -2.137 1.00 1.00 S HETATM 1939 C5 MTN A 129 71.033 -8.382 -3.471 1.00 1.00 C HETATM 1940 C6 MTN A 129 72.524 -8.071 -3.419 1.00 1.00 C HETATM 1941 C7 MTN A 129 70.671 -9.449 -2.444 1.00 1.00 C HETATM 1942 C8 MTN A 129 69.827 -7.293 -6.670 1.00 1.00 C HETATM 1943 C9 MTN A 129 68.162 -8.752 -5.486 1.00 1.00 C HETATM 0 H93 MTN A 129 68.325 -9.595 -6.158 1.00 1.00 H new HETATM 0 H92 MTN A 129 67.859 -9.122 -4.506 1.00 1.00 H new HETATM 0 H91 MTN A 129 67.378 -8.112 -5.890 1.00 1.00 H new HETATM 0 H83 MTN A 129 70.706 -6.666 -6.522 1.00 1.00 H new HETATM 0 H82 MTN A 129 70.049 -8.060 -7.412 1.00 1.00 H new HETATM 0 H81 MTN A 129 68.998 -6.678 -7.020 1.00 1.00 H new HETATM 0 H73 MTN A 129 69.588 -9.565 -2.406 1.00 1.00 H new HETATM 0 H72 MTN A 129 71.127 -10.397 -2.728 1.00 1.00 H new HETATM 0 H71 MTN A 129 71.039 -9.149 -1.463 1.00 1.00 H new HETATM 0 H63 MTN A 129 73.091 -8.960 -3.697 1.00 1.00 H new HETATM 0 H62 MTN A 129 72.752 -7.263 -4.115 1.00 1.00 H new HETATM 0 H61 MTN A 129 72.797 -7.767 -2.408 1.00 1.00 H new HETATM 0 H42 MTN A 129 69.863 -6.877 -1.184 1.00 1.00 H new HETATM 0 H41 MTN A 129 71.314 -6.127 -1.820 1.00 1.00 H new HETATM 0 H2 MTN A 129 68.624 -6.129 -4.286 1.00 1.00 H new HETATM 1959 O1 MTN A 130 82.522 -10.023 5.764 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.547 -9.314 6.147 1.00 1.00 N HETATM 1961 C1 MTN A 130 80.697 -9.658 7.308 1.00 1.00 C HETATM 1962 C2 MTN A 130 79.742 -8.520 7.283 1.00 1.00 C HETATM 1963 C3 MTN A 130 79.958 -7.660 6.303 1.00 1.00 C HETATM 1964 C4 MTN A 130 79.107 -6.453 5.998 1.00 1.00 C HETATM 1965 S1 MTN A 130 78.422 -5.606 7.443 1.00 1.00 S HETATM 1966 C5 MTN A 130 81.158 -8.041 5.448 1.00 1.00 C HETATM 1967 C6 MTN A 130 80.805 -8.196 3.972 1.00 1.00 C HETATM 1968 C7 MTN A 130 82.315 -7.022 5.641 1.00 1.00 C HETATM 1969 C8 MTN A 130 79.974 -10.991 7.146 1.00 1.00 C HETATM 1970 C9 MTN A 130 81.528 -9.632 8.582 1.00 1.00 C HETATM 0 H93 MTN A 130 82.339 -10.356 8.502 1.00 1.00 H new HETATM 0 H92 MTN A 130 81.945 -8.635 8.724 1.00 1.00 H new HETATM 0 H91 MTN A 130 80.897 -9.886 9.433 1.00 1.00 H new HETATM 0 H83 MTN A 130 79.331 -10.952 6.267 1.00 1.00 H new HETATM 0 H82 MTN A 130 80.706 -11.790 7.025 1.00 1.00 H new HETATM 0 H81 MTN A 130 79.367 -11.186 8.030 1.00 1.00 H new HETATM 0 H73 MTN A 130 82.465 -6.839 6.705 1.00 1.00 H new HETATM 0 H72 MTN A 130 83.231 -7.426 5.210 1.00 1.00 H new HETATM 0 H71 MTN A 130 82.062 -6.086 5.144 1.00 1.00 H new HETATM 0 H63 MTN A 130 81.663 -8.597 3.433 1.00 1.00 H new HETATM 0 H62 MTN A 130 79.961 -8.878 3.869 1.00 1.00 H new HETATM 0 H61 MTN A 130 80.539 -7.224 3.558 1.00 1.00 H new HETATM 0 H42 MTN A 130 79.705 -5.741 5.430 1.00 1.00 H new HETATM 0 H41 MTN A 130 78.284 -6.763 5.354 1.00 1.00 H new HETATM 0 H2 MTN A 130 78.936 -8.405 8.008 1.00 1.00 H new