USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= -2.2! C(o=-1.5!,f=-11!) USER MOD Set 1.2: A 31 SER OG : rot 76:sc= 0.712 USER MOD Set 2.1: A 15 THR OG1 : rot -47:sc= 1.64! USER MOD Set 2.2: A 17 SER OG : rot 88:sc= 1.13 USER MOD Single : A 1 ASP N :NH3+ -164:sc= 0 (180deg=-0.176) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.325 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.59 K(o=-1.6,f=-3!) USER MOD Single : A 25 SER OG : rot -65:sc= 0.985 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-8.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 164:sc= -0.813! USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 49:sc= 0.48 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 21.088 1.803 -13.132 1.00 0.00 N ATOM 2 CA ASP A 1 22.309 2.642 -13.161 1.00 0.00 C ATOM 3 C ASP A 1 22.680 3.074 -11.748 1.00 0.00 C ATOM 4 O ASP A 1 23.672 2.634 -11.201 1.00 0.00 O ATOM 5 CB ASP A 1 22.059 3.900 -14.006 1.00 0.00 C ATOM 6 CG ASP A 1 21.626 3.487 -15.414 1.00 0.00 C ATOM 7 OD1 ASP A 1 22.522 3.235 -16.203 1.00 0.00 O ATOM 8 OD2 ASP A 1 20.424 3.446 -15.621 1.00 0.00 O ATOM 0 H1 ASP A 1 20.994 1.296 -14.035 1.00 0.00 H new ATOM 0 H2 ASP A 1 21.157 1.116 -12.354 1.00 0.00 H new ATOM 0 H3 ASP A 1 20.255 2.408 -12.986 1.00 0.00 H new ATOM 0 HA ASP A 1 23.120 2.057 -13.594 1.00 0.00 H new ATOM 0 HB2 ASP A 1 21.288 4.516 -13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 1 22.964 4.505 -14.055 1.00 0.00 H new ATOM 15 N ASP A 2 21.873 3.928 -11.181 1.00 0.00 N ATOM 16 CA ASP A 2 22.161 4.401 -9.803 1.00 0.00 C ATOM 17 C ASP A 2 21.510 3.486 -8.771 1.00 0.00 C ATOM 18 O ASP A 2 20.308 3.503 -8.594 1.00 0.00 O ATOM 19 CB ASP A 2 21.582 5.816 -9.645 1.00 0.00 C ATOM 20 CG ASP A 2 21.632 6.537 -10.993 1.00 0.00 C ATOM 21 OD1 ASP A 2 22.532 6.209 -11.748 1.00 0.00 O ATOM 22 OD2 ASP A 2 20.767 7.375 -11.190 1.00 0.00 O ATOM 0 H ASP A 2 21.033 4.315 -11.611 1.00 0.00 H new ATOM 0 HA ASP A 2 23.239 4.399 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.554 5.763 -9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.151 6.373 -8.901 1.00 0.00 H new ATOM 27 N GLU A 3 22.317 2.702 -8.105 1.00 0.00 N ATOM 28 CA GLU A 3 21.759 1.780 -7.083 1.00 0.00 C ATOM 29 C GLU A 3 21.814 2.406 -5.692 1.00 0.00 C ATOM 30 O GLU A 3 21.613 1.737 -4.698 1.00 0.00 O ATOM 31 CB GLU A 3 22.600 0.494 -7.080 1.00 0.00 C ATOM 32 CG GLU A 3 23.972 0.787 -6.472 1.00 0.00 C ATOM 33 CD GLU A 3 25.008 -0.157 -7.086 1.00 0.00 C ATOM 34 OE1 GLU A 3 25.246 -0.003 -8.273 1.00 0.00 O ATOM 35 OE2 GLU A 3 25.504 -0.980 -6.333 1.00 0.00 O ATOM 0 H GLU A 3 23.329 2.663 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 3 20.718 1.569 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 3 22.094 -0.283 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 3 22.713 0.118 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 3 24.252 1.824 -6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 3 23.939 0.656 -5.390 1.00 0.00 H new ATOM 42 N SER A 4 22.082 3.682 -5.648 1.00 0.00 N ATOM 43 CA SER A 4 22.151 4.366 -4.330 1.00 0.00 C ATOM 44 C SER A 4 20.762 4.496 -3.715 1.00 0.00 C ATOM 45 O SER A 4 20.605 5.027 -2.634 1.00 0.00 O ATOM 46 CB SER A 4 22.728 5.773 -4.547 1.00 0.00 C ATOM 47 OG SER A 4 21.583 6.606 -4.646 1.00 0.00 O ATOM 0 H SER A 4 22.254 4.274 -6.460 1.00 0.00 H new ATOM 0 HA SER A 4 22.779 3.782 -3.656 1.00 0.00 H new ATOM 0 HB2 SER A 4 23.369 6.073 -3.718 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.334 5.820 -5.452 1.00 0.00 H new ATOM 0 HG SER A 4 21.865 7.534 -4.785 1.00 0.00 H new ATOM 53 N SER A 5 19.779 4.005 -4.418 1.00 0.00 N ATOM 54 CA SER A 5 18.392 4.088 -3.894 1.00 0.00 C ATOM 55 C SER A 5 18.004 2.812 -3.171 1.00 0.00 C ATOM 56 O SER A 5 18.174 2.695 -1.974 1.00 0.00 O ATOM 57 CB SER A 5 17.443 4.293 -5.083 1.00 0.00 C ATOM 58 OG SER A 5 18.035 3.541 -6.132 1.00 0.00 O ATOM 0 H SER A 5 19.877 3.553 -5.327 1.00 0.00 H new ATOM 0 HA SER A 5 18.327 4.916 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.438 3.938 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.357 5.347 -5.347 1.00 0.00 H new ATOM 0 HG SER A 5 17.485 3.617 -6.940 1.00 0.00 H new ATOM 64 N LYS A 6 17.480 1.889 -3.915 1.00 0.00 N ATOM 65 CA LYS A 6 17.062 0.597 -3.314 1.00 0.00 C ATOM 66 C LYS A 6 18.110 0.114 -2.270 1.00 0.00 C ATOM 67 O LYS A 6 19.225 -0.192 -2.640 1.00 0.00 O ATOM 68 CB LYS A 6 17.004 -0.446 -4.446 1.00 0.00 C ATOM 69 CG LYS A 6 15.579 -1.000 -4.557 1.00 0.00 C ATOM 70 CD LYS A 6 14.655 0.094 -5.093 1.00 0.00 C ATOM 71 CE LYS A 6 14.277 -0.234 -6.539 1.00 0.00 C ATOM 72 NZ LYS A 6 13.575 0.918 -7.170 1.00 0.00 N ATOM 0 H LYS A 6 17.321 1.972 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 6 16.098 0.720 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.303 0.009 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.706 -1.255 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.563 -1.864 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.231 -1.341 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.759 0.164 -4.477 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.152 1.063 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.174 -0.477 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.636 -1.115 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.326 0.678 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.709 1.132 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.199 1.750 -7.165 1.00 0.00 H new ATOM 86 N PRO A 7 17.753 0.048 -0.975 1.00 0.00 N ATOM 87 CA PRO A 7 18.715 -0.401 0.034 1.00 0.00 C ATOM 88 C PRO A 7 19.175 -1.824 -0.240 1.00 0.00 C ATOM 89 O PRO A 7 18.370 -2.697 -0.500 1.00 0.00 O ATOM 90 CB PRO A 7 17.953 -0.359 1.370 1.00 0.00 C ATOM 91 CG PRO A 7 16.516 0.153 1.075 1.00 0.00 C ATOM 92 CD PRO A 7 16.414 0.387 -0.441 1.00 0.00 C ATOM 0 HA PRO A 7 19.604 0.229 0.035 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.921 -1.349 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.457 0.300 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.774 -0.576 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 7 16.318 1.076 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.642 -0.241 -0.886 1.00 0.00 H new ATOM 0 HD3 PRO A 7 16.151 1.421 -0.663 1.00 0.00 H new ATOM 100 N CYS A 8 20.465 -2.024 -0.180 1.00 0.00 N ATOM 101 CA CYS A 8 21.016 -3.380 -0.431 1.00 0.00 C ATOM 102 C CYS A 8 21.929 -3.804 0.693 1.00 0.00 C ATOM 103 O CYS A 8 21.905 -3.242 1.770 1.00 0.00 O ATOM 104 CB CYS A 8 21.832 -3.344 -1.719 1.00 0.00 C ATOM 105 SG CYS A 8 23.371 -2.392 -1.694 1.00 0.00 S ATOM 0 H CYS A 8 21.157 -1.305 0.032 1.00 0.00 H new ATOM 0 HA CYS A 8 20.188 -4.086 -0.506 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.074 -4.370 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.198 -2.942 -2.510 1.00 0.00 H new ATOM 110 N CYS A 9 22.726 -4.788 0.420 1.00 0.00 N ATOM 111 CA CYS A 9 23.666 -5.278 1.467 1.00 0.00 C ATOM 112 C CYS A 9 24.417 -6.522 1.009 1.00 0.00 C ATOM 113 O CYS A 9 24.222 -6.989 -0.082 1.00 0.00 O ATOM 114 CB CYS A 9 22.840 -5.643 2.699 1.00 0.00 C ATOM 115 SG CYS A 9 22.888 -4.500 4.106 1.00 0.00 S ATOM 0 H CYS A 9 22.772 -5.275 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 9 24.396 -4.497 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.801 -5.750 2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.171 -6.621 3.048 1.00 0.00 H new ATOM 120 N ASP A 10 25.262 -7.040 1.867 1.00 0.00 N ATOM 121 CA ASP A 10 26.038 -8.258 1.500 1.00 0.00 C ATOM 122 C ASP A 10 26.013 -9.270 2.633 1.00 0.00 C ATOM 123 O ASP A 10 25.340 -10.277 2.557 1.00 0.00 O ATOM 124 CB ASP A 10 27.495 -7.849 1.240 1.00 0.00 C ATOM 125 CG ASP A 10 27.559 -6.950 0.003 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.474 -7.510 -1.078 1.00 0.00 O ATOM 127 OD2 ASP A 10 27.689 -5.756 0.209 1.00 0.00 O ATOM 0 H ASP A 10 25.445 -6.672 2.800 1.00 0.00 H new ATOM 0 HA ASP A 10 25.594 -8.709 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.897 -7.323 2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.112 -8.735 1.091 1.00 0.00 H new ATOM 132 N GLN A 11 26.746 -8.980 3.665 1.00 0.00 N ATOM 133 CA GLN A 11 26.780 -9.914 4.817 1.00 0.00 C ATOM 134 C GLN A 11 25.546 -9.722 5.684 1.00 0.00 C ATOM 135 O GLN A 11 25.473 -8.801 6.466 1.00 0.00 O ATOM 136 CB GLN A 11 28.025 -9.608 5.656 1.00 0.00 C ATOM 137 CG GLN A 11 29.165 -9.184 4.728 1.00 0.00 C ATOM 138 CD GLN A 11 30.502 -9.410 5.436 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.825 -10.508 5.841 1.00 0.00 O ATOM 140 NE2 GLN A 11 31.309 -8.397 5.605 1.00 0.00 N ATOM 0 H GLN A 11 27.320 -8.142 3.761 1.00 0.00 H new ATOM 0 HA GLN A 11 26.804 -10.940 4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.810 -8.815 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.316 -10.487 6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 11 29.129 -9.758 3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.057 -8.134 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.044 -7.472 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 11 32.204 -8.531 6.075 1.00 0.00 H new ATOM 149 N CYS A 12 24.600 -10.600 5.540 1.00 0.00 N ATOM 150 CA CYS A 12 23.369 -10.471 6.354 1.00 0.00 C ATOM 151 C CYS A 12 23.544 -11.175 7.700 1.00 0.00 C ATOM 152 O CYS A 12 23.916 -12.331 7.750 1.00 0.00 O ATOM 153 CB CYS A 12 22.210 -11.126 5.586 1.00 0.00 C ATOM 154 SG CYS A 12 20.835 -10.056 5.080 1.00 0.00 S ATOM 0 H CYS A 12 24.625 -11.394 4.900 1.00 0.00 H new ATOM 0 HA CYS A 12 23.162 -9.417 6.537 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.620 -11.593 4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.804 -11.926 6.206 1.00 0.00 H new ATOM 159 N ALA A 13 23.271 -10.463 8.765 1.00 0.00 N ATOM 160 CA ALA A 13 23.417 -11.073 10.116 1.00 0.00 C ATOM 161 C ALA A 13 22.283 -10.634 11.022 1.00 0.00 C ATOM 162 O ALA A 13 22.109 -9.454 11.260 1.00 0.00 O ATOM 163 CB ALA A 13 24.737 -10.583 10.723 1.00 0.00 C ATOM 0 H ALA A 13 22.956 -9.493 8.755 1.00 0.00 H new ATOM 0 HA ALA A 13 23.401 -12.159 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.865 -11.018 11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.566 -10.886 10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.719 -9.496 10.803 1.00 0.00 H new ATOM 169 N CYS A 14 21.525 -11.590 11.511 1.00 0.00 N ATOM 170 CA CYS A 14 20.409 -11.253 12.393 1.00 0.00 C ATOM 171 C CYS A 14 20.480 -12.005 13.711 1.00 0.00 C ATOM 172 O CYS A 14 21.119 -13.034 13.814 1.00 0.00 O ATOM 173 CB CYS A 14 19.136 -11.650 11.661 1.00 0.00 C ATOM 174 SG CYS A 14 18.721 -10.734 10.150 1.00 0.00 S ATOM 0 H CYS A 14 21.648 -12.585 11.325 1.00 0.00 H new ATOM 0 HA CYS A 14 20.438 -10.189 12.627 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.211 -12.707 11.404 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.302 -11.549 12.356 1.00 0.00 H new ATOM 179 N THR A 15 19.811 -11.460 14.699 1.00 0.00 N ATOM 180 CA THR A 15 19.803 -12.105 16.040 1.00 0.00 C ATOM 181 C THR A 15 18.378 -12.407 16.477 1.00 0.00 C ATOM 182 O THR A 15 17.514 -11.556 16.414 1.00 0.00 O ATOM 183 CB THR A 15 20.427 -11.137 17.049 1.00 0.00 C ATOM 184 OG1 THR A 15 19.339 -10.604 17.778 1.00 0.00 O ATOM 185 CG2 THR A 15 21.044 -9.927 16.338 1.00 0.00 C ATOM 0 H THR A 15 19.272 -10.597 14.630 1.00 0.00 H new ATOM 0 HA THR A 15 20.366 -13.037 15.991 1.00 0.00 H new ATOM 0 HB THR A 15 21.181 -11.657 17.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.635 -10.324 17.157 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.481 -9.255 17.077 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.820 -10.265 15.652 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.271 -9.400 15.780 1.00 0.00 H new ATOM 193 N LYS A 16 18.157 -13.613 16.913 1.00 0.00 N ATOM 194 CA LYS A 16 16.794 -13.985 17.357 1.00 0.00 C ATOM 195 C LYS A 16 16.535 -13.488 18.774 1.00 0.00 C ATOM 196 O LYS A 16 16.445 -14.268 19.702 1.00 0.00 O ATOM 197 CB LYS A 16 16.684 -15.513 17.338 1.00 0.00 C ATOM 198 CG LYS A 16 16.750 -15.999 15.883 1.00 0.00 C ATOM 199 CD LYS A 16 15.365 -16.480 15.426 1.00 0.00 C ATOM 200 CE LYS A 16 15.119 -17.897 15.956 1.00 0.00 C ATOM 201 NZ LYS A 16 13.671 -18.237 15.871 1.00 0.00 N ATOM 0 H LYS A 16 18.858 -14.351 16.980 1.00 0.00 H new ATOM 0 HA LYS A 16 16.061 -13.531 16.690 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.492 -15.956 17.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.748 -15.829 17.799 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.095 -15.192 15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.473 -16.810 15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.593 -15.803 15.793 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.305 -16.471 14.338 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.702 -18.615 15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.456 -17.970 16.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.519 -19.200 16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.122 -17.562 16.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.360 -18.187 14.880 1.00 0.00 H new ATOM 215 N SER A 17 16.423 -12.196 18.914 1.00 0.00 N ATOM 216 CA SER A 17 16.170 -11.627 20.261 1.00 0.00 C ATOM 217 C SER A 17 14.672 -11.516 20.536 1.00 0.00 C ATOM 218 O SER A 17 13.916 -12.418 20.232 1.00 0.00 O ATOM 219 CB SER A 17 16.792 -10.226 20.317 1.00 0.00 C ATOM 220 OG SER A 17 18.158 -10.440 19.989 1.00 0.00 O ATOM 0 H SER A 17 16.496 -11.516 18.157 1.00 0.00 H new ATOM 0 HA SER A 17 16.610 -12.282 21.013 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.314 -9.549 19.609 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.684 -9.781 21.306 1.00 0.00 H new ATOM 0 HG SER A 17 18.271 -10.400 19.016 1.00 0.00 H new ATOM 226 N ASN A 18 14.268 -10.410 21.104 1.00 0.00 N ATOM 227 CA ASN A 18 12.825 -10.233 21.402 1.00 0.00 C ATOM 228 C ASN A 18 12.465 -8.744 21.618 1.00 0.00 C ATOM 229 O ASN A 18 12.575 -8.254 22.724 1.00 0.00 O ATOM 230 CB ASN A 18 12.531 -10.980 22.711 1.00 0.00 C ATOM 231 CG ASN A 18 11.028 -10.923 22.998 1.00 0.00 C ATOM 232 OD1 ASN A 18 10.586 -10.262 23.917 1.00 0.00 O ATOM 233 ND2 ASN A 18 10.212 -11.602 22.239 1.00 0.00 N ATOM 0 H ASN A 18 14.871 -9.632 21.370 1.00 0.00 H new ATOM 0 HA ASN A 18 12.243 -10.612 20.562 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.859 -12.016 22.634 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.087 -10.530 23.533 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.208 -11.576 22.418 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.578 -12.158 21.466 1.00 0.00 H new ATOM 240 N PRO A 19 12.036 -8.028 20.568 1.00 0.00 N ATOM 241 CA PRO A 19 11.883 -8.544 19.188 1.00 0.00 C ATOM 242 C PRO A 19 13.247 -8.863 18.553 1.00 0.00 C ATOM 243 O PRO A 19 14.276 -8.488 19.078 1.00 0.00 O ATOM 244 CB PRO A 19 11.243 -7.376 18.406 1.00 0.00 C ATOM 245 CG PRO A 19 11.129 -6.166 19.374 1.00 0.00 C ATOM 246 CD PRO A 19 11.655 -6.620 20.741 1.00 0.00 C ATOM 0 HA PRO A 19 11.294 -9.461 19.175 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.852 -7.117 17.540 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.260 -7.660 18.031 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.708 -5.321 19.002 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.094 -5.834 19.452 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.509 -6.018 21.052 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.891 -6.512 21.511 1.00 0.00 H new ATOM 254 N PRO A 20 13.227 -9.556 17.423 1.00 0.00 N ATOM 255 CA PRO A 20 14.465 -9.915 16.723 1.00 0.00 C ATOM 256 C PRO A 20 15.144 -8.676 16.139 1.00 0.00 C ATOM 257 O PRO A 20 14.535 -7.630 16.024 1.00 0.00 O ATOM 258 CB PRO A 20 14.010 -10.826 15.564 1.00 0.00 C ATOM 259 CG PRO A 20 12.457 -10.769 15.514 1.00 0.00 C ATOM 260 CD PRO A 20 11.988 -10.048 16.787 1.00 0.00 C ATOM 0 HA PRO A 20 15.178 -10.392 17.396 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.438 -10.489 14.620 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.352 -11.849 15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.120 -10.237 14.624 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.036 -11.773 15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.312 -9.226 16.550 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.447 -10.725 17.448 1.00 0.00 H new ATOM 268 N GLN A 21 16.394 -8.825 15.781 1.00 0.00 N ATOM 269 CA GLN A 21 17.148 -7.688 15.200 1.00 0.00 C ATOM 270 C GLN A 21 17.813 -8.139 13.903 1.00 0.00 C ATOM 271 O GLN A 21 18.162 -9.296 13.770 1.00 0.00 O ATOM 272 CB GLN A 21 18.242 -7.289 16.204 1.00 0.00 C ATOM 273 CG GLN A 21 17.884 -5.955 16.878 1.00 0.00 C ATOM 274 CD GLN A 21 16.703 -6.167 17.828 1.00 0.00 C ATOM 275 OE1 GLN A 21 15.558 -6.002 17.458 1.00 0.00 O ATOM 276 NE2 GLN A 21 16.938 -6.534 19.058 1.00 0.00 N ATOM 0 H GLN A 21 16.922 -9.693 15.869 1.00 0.00 H new ATOM 0 HA GLN A 21 16.481 -6.850 14.997 1.00 0.00 H new ATOM 0 HB2 GLN A 21 18.354 -8.067 16.959 1.00 0.00 H new ATOM 0 HB3 GLN A 21 19.200 -7.200 15.692 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.743 -5.571 17.428 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.629 -5.211 16.124 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.898 -6.674 19.374 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.162 -6.681 19.703 1.00 0.00 H new ATOM 285 N CYS A 22 17.975 -7.236 12.958 1.00 0.00 N ATOM 286 CA CYS A 22 18.623 -7.654 11.681 1.00 0.00 C ATOM 287 C CYS A 22 19.516 -6.574 11.089 1.00 0.00 C ATOM 288 O CYS A 22 19.052 -5.562 10.610 1.00 0.00 O ATOM 289 CB CYS A 22 17.530 -8.005 10.676 1.00 0.00 C ATOM 290 SG CYS A 22 17.017 -9.741 10.597 1.00 0.00 S ATOM 0 H CYS A 22 17.694 -6.257 13.017 1.00 0.00 H new ATOM 0 HA CYS A 22 19.259 -8.512 11.898 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.652 -7.402 10.905 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.872 -7.707 9.685 1.00 0.00 H new ATOM 295 N ARG A 23 20.794 -6.836 11.132 1.00 0.00 N ATOM 296 CA ARG A 23 21.790 -5.869 10.587 1.00 0.00 C ATOM 297 C ARG A 23 22.649 -6.553 9.530 1.00 0.00 C ATOM 298 O ARG A 23 23.255 -7.573 9.798 1.00 0.00 O ATOM 299 CB ARG A 23 22.693 -5.404 11.750 1.00 0.00 C ATOM 300 CG ARG A 23 24.110 -5.095 11.234 1.00 0.00 C ATOM 301 CD ARG A 23 24.857 -4.278 12.288 1.00 0.00 C ATOM 302 NE ARG A 23 25.022 -5.110 13.510 1.00 0.00 N ATOM 303 CZ ARG A 23 24.309 -4.843 14.568 1.00 0.00 C ATOM 304 NH1 ARG A 23 24.548 -3.743 15.227 1.00 0.00 N ATOM 305 NH2 ARG A 23 23.380 -5.684 14.932 1.00 0.00 N ATOM 0 H ARG A 23 21.195 -7.687 11.525 1.00 0.00 H new ATOM 0 HA ARG A 23 21.278 -5.020 10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.267 -4.516 12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.738 -6.178 12.516 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.645 -6.022 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.057 -4.541 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.831 -3.970 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.304 -3.368 12.522 1.00 0.00 H new ATOM 0 HE ARG A 23 25.687 -5.883 13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.282 -3.109 14.912 1.00 0.00 H new ATOM 0 HH12 ARG A 23 24.001 -3.517 16.057 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.221 -6.534 14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.812 -5.491 15.757 1.00 0.00 H new ATOM 319 N CYS A 24 22.685 -5.982 8.348 1.00 0.00 N ATOM 320 CA CYS A 24 23.485 -6.572 7.272 1.00 0.00 C ATOM 321 C CYS A 24 24.645 -5.659 6.870 1.00 0.00 C ATOM 322 O CYS A 24 24.822 -4.597 7.430 1.00 0.00 O ATOM 323 CB CYS A 24 22.557 -6.765 6.081 1.00 0.00 C ATOM 324 SG CYS A 24 21.652 -5.320 5.474 1.00 0.00 S ATOM 0 H CYS A 24 22.186 -5.128 8.099 1.00 0.00 H new ATOM 0 HA CYS A 24 23.915 -7.516 7.608 1.00 0.00 H new ATOM 0 HB2 CYS A 24 23.149 -7.160 5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.827 -7.530 6.345 1.00 0.00 H new ATOM 329 N SER A 25 25.409 -6.096 5.892 1.00 0.00 N ATOM 330 CA SER A 25 26.568 -5.278 5.433 1.00 0.00 C ATOM 331 C SER A 25 27.292 -4.685 6.620 1.00 0.00 C ATOM 332 O SER A 25 27.704 -3.543 6.604 1.00 0.00 O ATOM 333 CB SER A 25 26.054 -4.150 4.551 1.00 0.00 C ATOM 334 OG SER A 25 27.230 -3.489 4.109 1.00 0.00 O ATOM 0 H SER A 25 25.277 -6.979 5.398 1.00 0.00 H new ATOM 0 HA SER A 25 27.258 -5.912 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 25 25.474 -4.534 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.403 -3.475 5.107 1.00 0.00 H new ATOM 0 HG SER A 25 27.681 -3.076 4.875 1.00 0.00 H new ATOM 340 N ASP A 26 27.409 -5.491 7.630 1.00 0.00 N ATOM 341 CA ASP A 26 28.098 -5.059 8.880 1.00 0.00 C ATOM 342 C ASP A 26 29.221 -4.048 8.620 1.00 0.00 C ATOM 343 O ASP A 26 29.242 -2.991 9.219 1.00 0.00 O ATOM 344 CB ASP A 26 28.705 -6.305 9.538 1.00 0.00 C ATOM 345 CG ASP A 26 28.352 -6.316 11.026 1.00 0.00 C ATOM 346 OD1 ASP A 26 27.172 -6.176 11.302 1.00 0.00 O ATOM 347 OD2 ASP A 26 29.281 -6.463 11.803 1.00 0.00 O ATOM 0 H ASP A 26 27.053 -6.447 7.647 1.00 0.00 H new ATOM 0 HA ASP A 26 27.363 -4.570 9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.325 -7.206 9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.787 -6.307 9.410 1.00 0.00 H new ATOM 352 N MET A 27 30.131 -4.388 7.731 1.00 0.00 N ATOM 353 CA MET A 27 31.255 -3.449 7.433 1.00 0.00 C ATOM 354 C MET A 27 31.156 -2.847 6.033 1.00 0.00 C ATOM 355 O MET A 27 30.496 -3.375 5.160 1.00 0.00 O ATOM 356 CB MET A 27 32.568 -4.233 7.515 1.00 0.00 C ATOM 357 CG MET A 27 32.380 -5.445 8.428 1.00 0.00 C ATOM 358 SD MET A 27 33.874 -6.307 8.978 1.00 0.00 S ATOM 359 CE MET A 27 33.054 -7.573 9.976 1.00 0.00 C ATOM 0 H MET A 27 30.141 -5.264 7.208 1.00 0.00 H new ATOM 0 HA MET A 27 31.211 -2.635 8.157 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.873 -4.557 6.520 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.363 -3.594 7.900 1.00 0.00 H new ATOM 0 HG2 MET A 27 31.833 -5.120 9.313 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.747 -6.164 7.908 1.00 0.00 H new ATOM 0 HE1 MET A 27 33.803 -8.229 10.419 1.00 0.00 H new ATOM 0 HE2 MET A 27 32.477 -7.095 10.767 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.387 -8.159 9.344 1.00 0.00 H new ATOM 369 N ARG A 28 31.843 -1.749 5.862 1.00 0.00 N ATOM 370 CA ARG A 28 31.846 -1.045 4.550 1.00 0.00 C ATOM 371 C ARG A 28 33.231 -0.442 4.304 1.00 0.00 C ATOM 372 O ARG A 28 33.810 0.152 5.192 1.00 0.00 O ATOM 373 CB ARG A 28 30.808 0.115 4.554 1.00 0.00 C ATOM 374 CG ARG A 28 30.063 0.208 5.908 1.00 0.00 C ATOM 375 CD ARG A 28 28.953 -0.848 5.968 1.00 0.00 C ATOM 376 NE ARG A 28 27.633 -0.163 5.874 1.00 0.00 N ATOM 377 CZ ARG A 28 26.825 -0.459 4.894 1.00 0.00 C ATOM 378 NH1 ARG A 28 27.202 -0.215 3.668 1.00 0.00 N ATOM 379 NH2 ARG A 28 25.664 -0.983 5.173 1.00 0.00 N ATOM 0 H ARG A 28 32.409 -1.306 6.586 1.00 0.00 H new ATOM 0 HA ARG A 28 31.591 -1.763 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 28 31.315 1.058 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.087 -0.038 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 28 30.764 0.058 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 28 29.636 1.204 6.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 29.067 -1.562 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.020 -1.413 6.898 1.00 0.00 H new ATOM 0 HE ARG A 28 27.364 0.532 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 28 28.116 0.201 3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 28 26.583 -0.440 2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 28 25.402 -1.154 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 28 25.018 -1.221 4.421 1.00 0.00 H new ATOM 393 N LEU A 29 33.737 -0.599 3.108 1.00 0.00 N ATOM 394 CA LEU A 29 35.086 -0.034 2.807 1.00 0.00 C ATOM 395 C LEU A 29 34.979 1.357 2.179 1.00 0.00 C ATOM 396 O LEU A 29 35.774 1.752 1.349 1.00 0.00 O ATOM 397 CB LEU A 29 35.785 -0.988 1.826 1.00 0.00 C ATOM 398 CG LEU A 29 37.112 -1.458 2.429 1.00 0.00 C ATOM 399 CD1 LEU A 29 37.845 -2.323 1.404 1.00 0.00 C ATOM 400 CD2 LEU A 29 37.972 -0.238 2.771 1.00 0.00 C ATOM 0 H LEU A 29 33.282 -1.087 2.336 1.00 0.00 H new ATOM 0 HA LEU A 29 35.653 0.064 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.145 -1.845 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 29 35.963 -0.484 0.876 1.00 0.00 H new ATOM 0 HG LEU A 29 36.924 -2.036 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.792 -2.662 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 37.230 -3.187 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.037 -1.738 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 29 38.918 -0.568 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.166 0.336 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.445 0.388 3.491 1.00 0.00 H new ATOM 412 N ASN A 30 33.999 2.067 2.599 1.00 0.00 N ATOM 413 CA ASN A 30 33.795 3.434 2.061 1.00 0.00 C ATOM 414 C ASN A 30 32.867 4.241 2.970 1.00 0.00 C ATOM 415 O ASN A 30 33.109 4.362 4.155 1.00 0.00 O ATOM 416 CB ASN A 30 33.160 3.312 0.665 1.00 0.00 C ATOM 417 CG ASN A 30 33.277 4.650 -0.066 1.00 0.00 C ATOM 418 OD1 ASN A 30 33.287 5.703 0.540 1.00 0.00 O ATOM 419 ND2 ASN A 30 33.372 4.655 -1.368 1.00 0.00 N ATOM 0 H ASN A 30 33.318 1.767 3.297 1.00 0.00 H new ATOM 0 HA ASN A 30 34.754 3.949 2.007 1.00 0.00 H new ATOM 0 HB2 ASN A 30 33.658 2.529 0.094 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.112 3.024 0.754 1.00 0.00 H new ATOM 0 HD21 ASN A 30 33.454 5.539 -1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 30 33.364 3.775 -1.883 1.00 0.00 H new ATOM 426 N SER A 31 31.819 4.779 2.385 1.00 0.00 N ATOM 427 CA SER A 31 30.848 5.585 3.177 1.00 0.00 C ATOM 428 C SER A 31 29.456 4.955 3.107 1.00 0.00 C ATOM 429 O SER A 31 29.201 4.103 2.279 1.00 0.00 O ATOM 430 CB SER A 31 30.787 6.997 2.571 1.00 0.00 C ATOM 431 OG SER A 31 32.079 7.192 2.014 1.00 0.00 O ATOM 0 H SER A 31 31.600 4.691 1.393 1.00 0.00 H new ATOM 0 HA SER A 31 31.168 5.622 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.010 7.071 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.563 7.747 3.330 1.00 0.00 H new ATOM 0 HG SER A 31 32.154 6.687 1.178 1.00 0.00 H new ATOM 437 N CYS A 32 28.579 5.385 3.976 1.00 0.00 N ATOM 438 CA CYS A 32 27.201 4.816 3.969 1.00 0.00 C ATOM 439 C CYS A 32 26.276 5.633 3.071 1.00 0.00 C ATOM 440 O CYS A 32 26.735 6.433 2.281 1.00 0.00 O ATOM 441 CB CYS A 32 26.662 4.859 5.402 1.00 0.00 C ATOM 442 SG CYS A 32 27.819 4.448 6.730 1.00 0.00 S ATOM 0 H CYS A 32 28.755 6.098 4.683 1.00 0.00 H new ATOM 0 HA CYS A 32 27.237 3.795 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.276 5.861 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 32 25.816 4.174 5.466 1.00 0.00 H new ATOM 447 N HIS A 33 24.983 5.413 3.208 1.00 0.00 N ATOM 448 CA HIS A 33 24.020 6.175 2.364 1.00 0.00 C ATOM 449 C HIS A 33 22.801 6.636 3.169 1.00 0.00 C ATOM 450 O HIS A 33 22.947 7.270 4.197 1.00 0.00 O ATOM 451 CB HIS A 33 23.563 5.283 1.189 1.00 0.00 C ATOM 452 CG HIS A 33 22.991 3.962 1.713 1.00 0.00 C ATOM 453 ND1 HIS A 33 22.938 3.622 2.918 1.00 0.00 N ATOM 454 CD2 HIS A 33 22.461 2.893 1.010 1.00 0.00 C ATOM 455 CE1 HIS A 33 22.436 2.458 3.046 1.00 0.00 C ATOM 456 NE2 HIS A 33 22.100 1.919 1.879 1.00 0.00 N ATOM 0 H HIS A 33 24.566 4.748 3.859 1.00 0.00 H new ATOM 0 HA HIS A 33 24.524 7.066 1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 33 22.809 5.805 0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.405 5.085 0.526 1.00 0.00 H new ATOM 0 HD2 HIS A 33 22.353 2.844 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.299 1.965 3.997 1.00 0.00 H new ATOM 0 HE2 HIS A 33 21.680 1.009 1.688 1.00 0.00 H new ATOM 464 N SER A 34 21.623 6.303 2.695 1.00 0.00 N ATOM 465 CA SER A 34 20.391 6.726 3.426 1.00 0.00 C ATOM 466 C SER A 34 19.784 5.617 4.281 1.00 0.00 C ATOM 467 O SER A 34 19.120 5.891 5.260 1.00 0.00 O ATOM 468 CB SER A 34 19.355 7.157 2.380 1.00 0.00 C ATOM 469 OG SER A 34 20.016 6.963 1.139 1.00 0.00 O ATOM 0 H SER A 34 21.465 5.763 1.844 1.00 0.00 H new ATOM 0 HA SER A 34 20.666 7.534 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.448 6.557 2.447 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.060 8.197 2.516 1.00 0.00 H new ATOM 0 HG SER A 34 19.417 7.216 0.406 1.00 0.00 H new ATOM 475 N ALA A 35 20.014 4.400 3.913 1.00 0.00 N ATOM 476 CA ALA A 35 19.434 3.289 4.723 1.00 0.00 C ATOM 477 C ALA A 35 20.275 3.002 5.967 1.00 0.00 C ATOM 478 O ALA A 35 20.382 1.876 6.411 1.00 0.00 O ATOM 479 CB ALA A 35 19.354 2.023 3.856 1.00 0.00 C ATOM 0 H ALA A 35 20.567 4.119 3.103 1.00 0.00 H new ATOM 0 HA ALA A 35 18.439 3.589 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.931 1.207 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.720 2.215 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.354 1.748 3.520 1.00 0.00 H new ATOM 485 N CYS A 36 20.847 4.034 6.512 1.00 0.00 N ATOM 486 CA CYS A 36 21.680 3.867 7.717 1.00 0.00 C ATOM 487 C CYS A 36 21.977 5.231 8.315 1.00 0.00 C ATOM 488 O CYS A 36 22.816 5.965 7.829 1.00 0.00 O ATOM 489 CB CYS A 36 22.992 3.178 7.323 1.00 0.00 C ATOM 490 SG CYS A 36 23.439 1.664 8.219 1.00 0.00 S ATOM 0 H CYS A 36 20.769 4.991 6.168 1.00 0.00 H new ATOM 0 HA CYS A 36 21.154 3.259 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.942 2.939 6.261 1.00 0.00 H new ATOM 0 HB3 CYS A 36 23.802 3.897 7.450 1.00 0.00 H new ATOM 495 N LYS A 37 21.278 5.547 9.358 1.00 0.00 N ATOM 496 CA LYS A 37 21.495 6.858 10.011 1.00 0.00 C ATOM 497 C LYS A 37 22.534 6.717 11.084 1.00 0.00 C ATOM 498 O LYS A 37 23.354 7.589 11.294 1.00 0.00 O ATOM 499 CB LYS A 37 20.171 7.323 10.638 1.00 0.00 C ATOM 500 CG LYS A 37 19.510 8.349 9.712 1.00 0.00 C ATOM 501 CD LYS A 37 18.116 8.687 10.244 1.00 0.00 C ATOM 502 CE LYS A 37 17.701 10.064 9.720 1.00 0.00 C ATOM 503 NZ LYS A 37 18.158 11.133 10.650 1.00 0.00 N ATOM 0 H LYS A 37 20.566 4.956 9.787 1.00 0.00 H new ATOM 0 HA LYS A 37 21.835 7.587 9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.508 6.472 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.354 7.764 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.119 9.251 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.439 7.950 8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.398 7.931 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.119 8.684 11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.128 10.227 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.617 10.107 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.869 12.061 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.731 10.984 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.194 11.101 10.733 1.00 0.00 H new ATOM 517 N SER A 38 22.478 5.615 11.745 1.00 0.00 N ATOM 518 CA SER A 38 23.441 5.358 12.813 1.00 0.00 C ATOM 519 C SER A 38 24.649 4.656 12.220 1.00 0.00 C ATOM 520 O SER A 38 24.822 3.474 12.377 1.00 0.00 O ATOM 521 CB SER A 38 22.774 4.447 13.847 1.00 0.00 C ATOM 522 OG SER A 38 21.610 5.161 14.237 1.00 0.00 O ATOM 0 H SER A 38 21.796 4.874 11.586 1.00 0.00 H new ATOM 0 HA SER A 38 23.757 6.289 13.284 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.522 3.476 13.420 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.431 4.260 14.697 1.00 0.00 H new ATOM 0 HG SER A 38 21.116 4.641 14.905 1.00 0.00 H new ATOM 528 N CYS A 39 25.434 5.405 11.509 1.00 0.00 N ATOM 529 CA CYS A 39 26.648 4.831 10.876 1.00 0.00 C ATOM 530 C CYS A 39 27.920 5.436 11.433 1.00 0.00 C ATOM 531 O CYS A 39 27.995 6.621 11.689 1.00 0.00 O ATOM 532 CB CYS A 39 26.606 5.167 9.390 1.00 0.00 C ATOM 533 SG CYS A 39 26.632 3.797 8.224 1.00 0.00 S ATOM 0 H CYS A 39 25.287 6.399 11.337 1.00 0.00 H new ATOM 0 HA CYS A 39 26.654 3.758 11.069 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.704 5.750 9.203 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.455 5.813 9.168 1.00 0.00 H new ATOM 538 N ILE A 40 28.892 4.600 11.606 1.00 0.00 N ATOM 539 CA ILE A 40 30.191 5.063 12.136 1.00 0.00 C ATOM 540 C ILE A 40 31.169 5.051 10.989 1.00 0.00 C ATOM 541 O ILE A 40 31.180 4.104 10.228 1.00 0.00 O ATOM 542 CB ILE A 40 30.688 4.079 13.195 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.531 3.276 13.772 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.343 4.876 14.334 1.00 0.00 C ATOM 545 CD1 ILE A 40 30.082 2.333 14.837 1.00 0.00 C ATOM 0 H ILE A 40 28.841 3.602 11.400 1.00 0.00 H new ATOM 0 HA ILE A 40 30.094 6.056 12.575 1.00 0.00 H new ATOM 0 HB ILE A 40 31.399 3.394 12.734 1.00 0.00 H new ATOM 0 HG12 ILE A 40 28.786 3.943 14.205 1.00 0.00 H new ATOM 0 HG13 ILE A 40 29.033 2.710 12.985 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.703 4.188 15.099 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.180 5.452 13.940 1.00 0.00 H new ATOM 0 HG23 ILE A 40 30.610 5.554 14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 40 29.266 1.748 15.263 1.00 0.00 H new ATOM 0 HD12 ILE A 40 30.813 1.662 14.386 1.00 0.00 H new ATOM 0 HD13 ILE A 40 30.561 2.914 15.625 1.00 0.00 H new ATOM 557 N CYS A 41 31.975 6.071 10.858 1.00 0.00 N ATOM 558 CA CYS A 41 32.929 6.046 9.723 1.00 0.00 C ATOM 559 C CYS A 41 34.259 6.696 10.023 1.00 0.00 C ATOM 560 O CYS A 41 34.347 7.710 10.685 1.00 0.00 O ATOM 561 CB CYS A 41 32.307 6.801 8.547 1.00 0.00 C ATOM 562 SG CYS A 41 32.067 5.901 6.996 1.00 0.00 S ATOM 0 H CYS A 41 32.013 6.890 11.465 1.00 0.00 H new ATOM 0 HA CYS A 41 33.118 4.995 9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.336 7.179 8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 41 32.933 7.668 8.337 1.00 0.00 H new ATOM 567 N ALA A 42 35.268 6.067 9.509 1.00 0.00 N ATOM 568 CA ALA A 42 36.643 6.560 9.693 1.00 0.00 C ATOM 569 C ALA A 42 37.085 7.239 8.404 1.00 0.00 C ATOM 570 O ALA A 42 37.295 6.579 7.394 1.00 0.00 O ATOM 571 CB ALA A 42 37.561 5.361 9.977 1.00 0.00 C ATOM 0 H ALA A 42 35.192 5.213 8.957 1.00 0.00 H new ATOM 0 HA ALA A 42 36.692 7.265 10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.584 5.711 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.226 4.852 10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.525 4.668 9.136 1.00 0.00 H new ATOM 577 N LEU A 43 37.204 8.539 8.449 1.00 0.00 N ATOM 578 CA LEU A 43 37.628 9.282 7.233 1.00 0.00 C ATOM 579 C LEU A 43 39.088 9.013 6.873 1.00 0.00 C ATOM 580 O LEU A 43 39.770 9.879 6.362 1.00 0.00 O ATOM 581 CB LEU A 43 37.458 10.782 7.507 1.00 0.00 C ATOM 582 CG LEU A 43 37.075 11.494 6.207 1.00 0.00 C ATOM 583 CD1 LEU A 43 35.553 11.468 6.044 1.00 0.00 C ATOM 584 CD2 LEU A 43 37.548 12.947 6.273 1.00 0.00 C ATOM 0 H LEU A 43 37.026 9.114 9.272 1.00 0.00 H new ATOM 0 HA LEU A 43 37.013 8.950 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 36.688 10.940 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.384 11.198 7.904 1.00 0.00 H new ATOM 0 HG LEU A 43 37.543 10.990 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.277 11.974 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 43 35.208 10.434 6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 43 35.088 11.977 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 43 37.278 13.460 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 37.073 13.446 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 43 38.630 12.972 6.399 1.00 0.00 H new ATOM 596 N SER A 44 39.545 7.825 7.147 1.00 0.00 N ATOM 597 CA SER A 44 40.954 7.500 6.820 1.00 0.00 C ATOM 598 C SER A 44 41.072 7.025 5.372 1.00 0.00 C ATOM 599 O SER A 44 40.148 7.156 4.594 1.00 0.00 O ATOM 600 CB SER A 44 41.423 6.375 7.755 1.00 0.00 C ATOM 601 OG SER A 44 40.969 6.780 9.039 1.00 0.00 O ATOM 0 H SER A 44 39.008 7.073 7.579 1.00 0.00 H new ATOM 0 HA SER A 44 41.568 8.391 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.998 5.414 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.507 6.264 7.732 1.00 0.00 H new ATOM 0 HG SER A 44 41.228 6.109 9.704 1.00 0.00 H new ATOM 607 N TYR A 45 42.208 6.480 5.042 1.00 0.00 N ATOM 608 CA TYR A 45 42.416 5.989 3.657 1.00 0.00 C ATOM 609 C TYR A 45 43.346 4.746 3.670 1.00 0.00 C ATOM 610 O TYR A 45 44.479 4.855 4.098 1.00 0.00 O ATOM 611 CB TYR A 45 43.118 7.105 2.865 1.00 0.00 C ATOM 612 CG TYR A 45 42.184 7.600 1.758 1.00 0.00 C ATOM 613 CD1 TYR A 45 41.989 6.851 0.616 1.00 0.00 C ATOM 614 CD2 TYR A 45 41.520 8.803 1.889 1.00 0.00 C ATOM 615 CE1 TYR A 45 41.144 7.297 -0.380 1.00 0.00 C ATOM 616 CE2 TYR A 45 40.674 9.249 0.894 1.00 0.00 C ATOM 617 CZ TYR A 45 40.479 8.500 -0.249 1.00 0.00 C ATOM 618 OH TYR A 45 39.635 8.947 -1.245 1.00 0.00 O ATOM 0 H TYR A 45 43.000 6.354 5.672 1.00 0.00 H new ATOM 0 HA TYR A 45 41.458 5.721 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 45 43.382 7.928 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.047 6.732 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 45 42.502 5.908 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 45 41.664 9.400 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 45 41.002 6.700 -1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 45 40.160 10.192 1.011 1.00 0.00 H new ATOM 0 HH TYR A 45 39.251 9.810 -0.985 1.00 0.00 H new ATOM 628 N PRO A 46 42.880 3.569 3.206 1.00 0.00 N ATOM 629 CA PRO A 46 41.520 3.332 2.661 1.00 0.00 C ATOM 630 C PRO A 46 40.420 3.527 3.713 1.00 0.00 C ATOM 631 O PRO A 46 40.487 2.992 4.801 1.00 0.00 O ATOM 632 CB PRO A 46 41.528 1.852 2.219 1.00 0.00 C ATOM 633 CG PRO A 46 42.915 1.258 2.588 1.00 0.00 C ATOM 634 CD PRO A 46 43.752 2.388 3.202 1.00 0.00 C ATOM 0 HA PRO A 46 41.305 4.036 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.731 1.300 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 46 41.350 1.772 1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 46 42.804 0.436 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 46 43.407 0.854 1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.072 2.134 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.654 2.569 2.618 1.00 0.00 H new ATOM 642 N ALA A 47 39.430 4.300 3.352 1.00 0.00 N ATOM 643 CA ALA A 47 38.306 4.564 4.288 1.00 0.00 C ATOM 644 C ALA A 47 37.833 3.294 4.979 1.00 0.00 C ATOM 645 O ALA A 47 38.029 2.200 4.491 1.00 0.00 O ATOM 646 CB ALA A 47 37.126 5.127 3.480 1.00 0.00 C ATOM 0 H ALA A 47 39.354 4.760 2.445 1.00 0.00 H new ATOM 0 HA ALA A 47 38.655 5.264 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.290 5.328 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.429 6.052 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.821 4.401 2.727 1.00 0.00 H new ATOM 652 N GLN A 48 37.209 3.477 6.110 1.00 0.00 N ATOM 653 CA GLN A 48 36.697 2.311 6.876 1.00 0.00 C ATOM 654 C GLN A 48 35.364 2.690 7.497 1.00 0.00 C ATOM 655 O GLN A 48 35.215 3.787 7.979 1.00 0.00 O ATOM 656 CB GLN A 48 37.701 1.975 7.993 1.00 0.00 C ATOM 657 CG GLN A 48 39.119 1.970 7.413 1.00 0.00 C ATOM 658 CD GLN A 48 40.054 1.216 8.362 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.652 0.756 9.411 1.00 0.00 O ATOM 660 NE2 GLN A 48 41.308 1.066 8.031 1.00 0.00 N ATOM 0 H GLN A 48 37.032 4.387 6.536 1.00 0.00 H new ATOM 0 HA GLN A 48 36.571 1.449 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.627 2.707 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.469 1.002 8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 48 39.120 1.497 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.471 2.992 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.653 1.450 7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.943 0.565 8.652 1.00 0.00 H new ATOM 669 N CYS A 49 34.406 1.800 7.480 1.00 0.00 N ATOM 670 CA CYS A 49 33.106 2.181 8.085 1.00 0.00 C ATOM 671 C CYS A 49 32.299 1.005 8.599 1.00 0.00 C ATOM 672 O CYS A 49 32.591 -0.144 8.329 1.00 0.00 O ATOM 673 CB CYS A 49 32.289 2.897 7.009 1.00 0.00 C ATOM 674 SG CYS A 49 31.152 4.193 7.547 1.00 0.00 S ATOM 0 H CYS A 49 34.466 0.860 7.088 1.00 0.00 H new ATOM 0 HA CYS A 49 33.319 2.812 8.948 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.986 3.336 6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.712 2.146 6.470 1.00 0.00 H new ATOM 679 N PHE A 50 31.279 1.350 9.341 1.00 0.00 N ATOM 680 CA PHE A 50 30.384 0.330 9.922 1.00 0.00 C ATOM 681 C PHE A 50 28.955 0.868 9.974 1.00 0.00 C ATOM 682 O PHE A 50 28.745 2.064 10.056 1.00 0.00 O ATOM 683 CB PHE A 50 30.852 0.041 11.355 1.00 0.00 C ATOM 684 CG PHE A 50 31.229 -1.436 11.485 1.00 0.00 C ATOM 685 CD1 PHE A 50 32.462 -1.889 11.048 1.00 0.00 C ATOM 686 CD2 PHE A 50 30.343 -2.337 12.051 1.00 0.00 C ATOM 687 CE1 PHE A 50 32.802 -3.221 11.176 1.00 0.00 C ATOM 688 CE2 PHE A 50 30.686 -3.668 12.177 1.00 0.00 C ATOM 689 CZ PHE A 50 31.913 -4.109 11.740 1.00 0.00 C ATOM 0 H PHE A 50 31.032 2.313 9.567 1.00 0.00 H new ATOM 0 HA PHE A 50 30.410 -0.575 9.315 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.709 0.668 11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.061 0.288 12.063 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.162 -1.196 10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 50 29.378 -1.996 12.396 1.00 0.00 H new ATOM 0 HE1 PHE A 50 33.766 -3.567 10.834 1.00 0.00 H new ATOM 0 HE2 PHE A 50 29.989 -4.364 12.620 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.179 -5.151 11.839 1.00 0.00 H new ATOM 699 N CYS A 51 28.006 -0.022 9.924 1.00 0.00 N ATOM 700 CA CYS A 51 26.574 0.402 9.967 1.00 0.00 C ATOM 701 C CYS A 51 25.876 -0.315 11.115 1.00 0.00 C ATOM 702 O CYS A 51 25.614 -1.499 11.025 1.00 0.00 O ATOM 703 CB CYS A 51 25.920 -0.050 8.639 1.00 0.00 C ATOM 704 SG CYS A 51 25.276 1.218 7.519 1.00 0.00 S ATOM 0 H CYS A 51 28.157 -1.028 9.855 1.00 0.00 H new ATOM 0 HA CYS A 51 26.494 1.480 10.104 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.657 -0.635 8.089 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.099 -0.723 8.886 1.00 0.00 H new ATOM 709 N VAL A 52 25.581 0.399 12.178 1.00 0.00 N ATOM 710 CA VAL A 52 24.900 -0.285 13.311 1.00 0.00 C ATOM 711 C VAL A 52 23.398 -0.215 13.157 1.00 0.00 C ATOM 712 O VAL A 52 22.673 -0.893 13.857 1.00 0.00 O ATOM 713 CB VAL A 52 25.318 0.350 14.653 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.720 -0.140 15.021 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.333 1.863 14.535 1.00 0.00 C ATOM 0 H VAL A 52 25.777 1.392 12.304 1.00 0.00 H new ATOM 0 HA VAL A 52 25.203 -1.332 13.303 1.00 0.00 H new ATOM 0 HB VAL A 52 24.604 0.061 15.424 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.024 0.304 15.969 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.713 -1.226 15.115 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.424 0.152 14.242 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.630 2.299 15.489 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.043 2.161 13.763 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.337 2.217 14.268 1.00 0.00 H new ATOM 725 N ASP A 53 22.939 0.609 12.246 1.00 0.00 N ATOM 726 CA ASP A 53 21.481 0.701 12.061 1.00 0.00 C ATOM 727 C ASP A 53 20.935 -0.710 11.925 1.00 0.00 C ATOM 728 O ASP A 53 21.666 -1.606 11.550 1.00 0.00 O ATOM 729 CB ASP A 53 21.202 1.486 10.773 1.00 0.00 C ATOM 730 CG ASP A 53 19.846 2.183 10.887 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.861 1.463 10.846 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.869 3.397 11.005 1.00 0.00 O ATOM 0 H ASP A 53 23.506 1.204 11.641 1.00 0.00 H new ATOM 0 HA ASP A 53 21.010 1.205 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.988 2.222 10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.206 0.813 9.916 1.00 0.00 H new ATOM 737 N ILE A 54 19.682 -0.903 12.232 1.00 0.00 N ATOM 738 CA ILE A 54 19.127 -2.278 12.109 1.00 0.00 C ATOM 739 C ILE A 54 17.703 -2.286 11.591 1.00 0.00 C ATOM 740 O ILE A 54 16.944 -1.363 11.809 1.00 0.00 O ATOM 741 CB ILE A 54 19.148 -2.927 13.495 1.00 0.00 C ATOM 742 CG1 ILE A 54 20.435 -2.546 14.221 1.00 0.00 C ATOM 743 CG2 ILE A 54 19.123 -4.452 13.307 1.00 0.00 C ATOM 744 CD1 ILE A 54 20.526 -3.328 15.534 1.00 0.00 C ATOM 0 H ILE A 54 19.032 -0.186 12.555 1.00 0.00 H new ATOM 0 HA ILE A 54 19.740 -2.826 11.393 1.00 0.00 H new ATOM 0 HB ILE A 54 18.290 -2.591 14.077 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.299 -2.765 13.593 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.450 -1.475 14.421 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.137 -4.939 14.282 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.217 -4.738 12.772 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.996 -4.762 12.734 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.444 -3.058 16.055 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.668 -3.086 16.162 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.530 -4.397 15.321 1.00 0.00 H new ATOM 756 N THR A 55 17.381 -3.350 10.904 1.00 0.00 N ATOM 757 CA THR A 55 16.024 -3.500 10.334 1.00 0.00 C ATOM 758 C THR A 55 15.413 -4.810 10.834 1.00 0.00 C ATOM 759 O THR A 55 15.914 -5.390 11.783 1.00 0.00 O ATOM 760 CB THR A 55 16.157 -3.527 8.801 1.00 0.00 C ATOM 761 OG1 THR A 55 14.874 -3.831 8.308 1.00 0.00 O ATOM 762 CG2 THR A 55 17.039 -4.699 8.342 1.00 0.00 C ATOM 0 H THR A 55 18.014 -4.128 10.715 1.00 0.00 H new ATOM 0 HA THR A 55 15.379 -2.675 10.637 1.00 0.00 H new ATOM 0 HB THR A 55 16.575 -2.580 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.830 -3.613 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.115 -4.693 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.034 -4.598 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.595 -5.639 8.669 1.00 0.00 H new ATOM 770 N ASP A 56 14.348 -5.255 10.201 1.00 0.00 N ATOM 771 CA ASP A 56 13.708 -6.528 10.645 1.00 0.00 C ATOM 772 C ASP A 56 13.452 -7.480 9.475 1.00 0.00 C ATOM 773 O ASP A 56 12.559 -8.298 9.537 1.00 0.00 O ATOM 774 CB ASP A 56 12.358 -6.178 11.288 1.00 0.00 C ATOM 775 CG ASP A 56 12.492 -4.864 12.059 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.454 -3.841 11.395 1.00 0.00 O ATOM 777 OD2 ASP A 56 12.623 -4.958 13.267 1.00 0.00 O ATOM 0 H ASP A 56 13.903 -4.795 9.407 1.00 0.00 H new ATOM 0 HA ASP A 56 14.379 -7.026 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.589 -6.086 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.044 -6.977 11.960 1.00 0.00 H new ATOM 782 N PHE A 57 14.232 -7.365 8.426 1.00 0.00 N ATOM 783 CA PHE A 57 14.004 -8.283 7.271 1.00 0.00 C ATOM 784 C PHE A 57 15.264 -8.499 6.420 1.00 0.00 C ATOM 785 O PHE A 57 15.235 -9.248 5.463 1.00 0.00 O ATOM 786 CB PHE A 57 12.903 -7.688 6.380 1.00 0.00 C ATOM 787 CG PHE A 57 12.936 -6.162 6.459 1.00 0.00 C ATOM 788 CD1 PHE A 57 12.249 -5.494 7.457 1.00 0.00 C ATOM 789 CD2 PHE A 57 13.641 -5.428 5.523 1.00 0.00 C ATOM 790 CE1 PHE A 57 12.264 -4.115 7.515 1.00 0.00 C ATOM 791 CE2 PHE A 57 13.655 -4.049 5.582 1.00 0.00 C ATOM 792 CZ PHE A 57 12.966 -3.395 6.578 1.00 0.00 C ATOM 0 H PHE A 57 14.994 -6.695 8.322 1.00 0.00 H new ATOM 0 HA PHE A 57 13.715 -9.253 7.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.044 -8.010 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 57 11.928 -8.056 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.697 -6.056 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.184 -5.937 4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.724 -3.602 8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.207 -3.483 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.977 -2.316 6.623 1.00 0.00 H new ATOM 802 N CYS A 58 16.344 -7.851 6.769 1.00 0.00 N ATOM 803 CA CYS A 58 17.586 -8.033 5.970 1.00 0.00 C ATOM 804 C CYS A 58 17.340 -7.701 4.504 1.00 0.00 C ATOM 805 O CYS A 58 16.737 -8.468 3.778 1.00 0.00 O ATOM 806 CB CYS A 58 18.041 -9.501 6.076 1.00 0.00 C ATOM 807 SG CYS A 58 19.700 -9.828 6.736 1.00 0.00 S ATOM 0 H CYS A 58 16.418 -7.213 7.561 1.00 0.00 H new ATOM 0 HA CYS A 58 18.352 -7.363 6.360 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.322 -10.030 6.701 1.00 0.00 H new ATOM 0 HB3 CYS A 58 17.984 -9.942 5.081 1.00 0.00 H new ATOM 812 N TYR A 59 17.802 -6.557 4.105 1.00 0.00 N ATOM 813 CA TYR A 59 17.614 -6.141 2.692 1.00 0.00 C ATOM 814 C TYR A 59 18.080 -7.234 1.726 1.00 0.00 C ATOM 815 O TYR A 59 18.430 -8.322 2.135 1.00 0.00 O ATOM 816 CB TYR A 59 18.441 -4.865 2.435 1.00 0.00 C ATOM 817 CG TYR A 59 18.383 -3.941 3.663 1.00 0.00 C ATOM 818 CD1 TYR A 59 17.189 -3.707 4.322 1.00 0.00 C ATOM 819 CD2 TYR A 59 19.527 -3.325 4.121 1.00 0.00 C ATOM 820 CE1 TYR A 59 17.148 -2.869 5.420 1.00 0.00 C ATOM 821 CE2 TYR A 59 19.485 -2.488 5.218 1.00 0.00 C ATOM 822 CZ TYR A 59 18.295 -2.254 5.875 1.00 0.00 C ATOM 823 OH TYR A 59 18.255 -1.419 6.973 1.00 0.00 O ATOM 0 H TYR A 59 18.302 -5.891 4.694 1.00 0.00 H new ATOM 0 HA TYR A 59 16.553 -5.958 2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.476 -5.130 2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.056 -4.343 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.283 -4.182 3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.466 -3.499 3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.210 -2.694 5.926 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.391 -2.013 5.564 1.00 0.00 H new ATOM 0 HH TYR A 59 19.154 -1.073 7.154 1.00 0.00 H new ATOM 833 N GLU A 60 18.079 -6.914 0.457 1.00 0.00 N ATOM 834 CA GLU A 60 18.515 -7.913 -0.560 1.00 0.00 C ATOM 835 C GLU A 60 20.019 -7.765 -0.868 1.00 0.00 C ATOM 836 O GLU A 60 20.598 -6.725 -0.622 1.00 0.00 O ATOM 837 CB GLU A 60 17.716 -7.633 -1.845 1.00 0.00 C ATOM 838 CG GLU A 60 16.497 -8.558 -1.897 1.00 0.00 C ATOM 839 CD GLU A 60 15.453 -7.966 -2.847 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.026 -6.859 -2.562 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.142 -8.654 -3.806 1.00 0.00 O ATOM 0 H GLU A 60 17.796 -6.008 0.084 1.00 0.00 H new ATOM 0 HA GLU A 60 18.341 -8.922 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.397 -6.591 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.346 -7.793 -2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.793 -9.550 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.073 -8.676 -0.900 1.00 0.00 H new ATOM 848 N PRO A 61 20.635 -8.820 -1.408 1.00 0.00 N ATOM 849 CA PRO A 61 22.063 -8.780 -1.739 1.00 0.00 C ATOM 850 C PRO A 61 22.399 -7.586 -2.630 1.00 0.00 C ATOM 851 O PRO A 61 21.533 -7.027 -3.274 1.00 0.00 O ATOM 852 CB PRO A 61 22.333 -10.094 -2.501 1.00 0.00 C ATOM 853 CG PRO A 61 21.009 -10.912 -2.502 1.00 0.00 C ATOM 854 CD PRO A 61 19.965 -10.100 -1.717 1.00 0.00 C ATOM 0 HA PRO A 61 22.673 -8.678 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.657 -9.887 -3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.133 -10.659 -2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.669 -11.090 -3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.161 -11.888 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.062 -9.941 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.664 -10.618 -0.807 1.00 0.00 H new ATOM 862 N CYS A 62 23.659 -7.222 -2.643 1.00 0.00 N ATOM 863 CA CYS A 62 24.094 -6.069 -3.476 1.00 0.00 C ATOM 864 C CYS A 62 25.192 -6.451 -4.449 1.00 0.00 C ATOM 865 O CYS A 62 25.340 -7.598 -4.829 1.00 0.00 O ATOM 866 CB CYS A 62 24.670 -4.992 -2.547 1.00 0.00 C ATOM 867 SG CYS A 62 24.527 -3.271 -3.093 1.00 0.00 S ATOM 0 H CYS A 62 24.401 -7.677 -2.111 1.00 0.00 H new ATOM 0 HA CYS A 62 23.228 -5.720 -4.038 1.00 0.00 H new ATOM 0 HB2 CYS A 62 24.178 -5.082 -1.579 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.726 -5.210 -2.389 1.00 0.00 H new ATOM 872 N LYS A 63 25.935 -5.457 -4.827 1.00 0.00 N ATOM 873 CA LYS A 63 27.057 -5.665 -5.779 1.00 0.00 C ATOM 874 C LYS A 63 26.617 -6.393 -7.054 1.00 0.00 C ATOM 875 O LYS A 63 27.030 -7.508 -7.306 1.00 0.00 O ATOM 876 CB LYS A 63 28.121 -6.514 -5.073 1.00 0.00 C ATOM 877 CG LYS A 63 28.666 -5.732 -3.876 1.00 0.00 C ATOM 878 CD LYS A 63 30.124 -5.355 -4.143 1.00 0.00 C ATOM 879 CE LYS A 63 30.667 -4.563 -2.951 1.00 0.00 C ATOM 880 NZ LYS A 63 30.477 -3.101 -3.165 1.00 0.00 N ATOM 0 H LYS A 63 25.812 -4.494 -4.513 1.00 0.00 H new ATOM 0 HA LYS A 63 27.440 -4.688 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.690 -7.459 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.929 -6.757 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.070 -4.834 -3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.594 -6.334 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.721 -6.253 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.197 -4.760 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.157 -4.872 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.726 -4.782 -2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.851 -2.579 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.984 -2.807 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.463 -2.895 -3.273 1.00 0.00 H new ATOM 894 N PRO A 64 25.780 -5.742 -7.841 1.00 0.00 N ATOM 895 CA PRO A 64 25.292 -6.330 -9.088 1.00 0.00 C ATOM 896 C PRO A 64 26.402 -6.380 -10.124 1.00 0.00 C ATOM 897 O PRO A 64 26.418 -7.226 -10.995 1.00 0.00 O ATOM 898 CB PRO A 64 24.190 -5.366 -9.573 1.00 0.00 C ATOM 899 CG PRO A 64 24.221 -4.121 -8.641 1.00 0.00 C ATOM 900 CD PRO A 64 25.246 -4.405 -7.530 1.00 0.00 C ATOM 0 HA PRO A 64 24.933 -7.349 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 64 24.363 -5.075 -10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.214 -5.849 -9.536 1.00 0.00 H new ATOM 0 HG2 PRO A 64 24.500 -3.229 -9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 23.235 -3.935 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 64 26.037 -3.656 -7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 64 24.778 -4.385 -6.546 1.00 0.00 H new ATOM 908 N SER A 65 27.308 -5.464 -9.999 1.00 0.00 N ATOM 909 CA SER A 65 28.444 -5.408 -10.950 1.00 0.00 C ATOM 910 C SER A 65 29.404 -4.283 -10.574 1.00 0.00 C ATOM 911 O SER A 65 29.113 -3.121 -10.777 1.00 0.00 O ATOM 912 CB SER A 65 27.884 -5.132 -12.352 1.00 0.00 C ATOM 913 OG SER A 65 26.908 -4.123 -12.141 1.00 0.00 O ATOM 0 H SER A 65 27.313 -4.746 -9.275 1.00 0.00 H new ATOM 0 HA SER A 65 28.984 -6.354 -10.922 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.665 -4.795 -13.034 1.00 0.00 H new ATOM 0 HB3 SER A 65 27.443 -6.028 -12.789 1.00 0.00 H new ATOM 0 HG SER A 65 27.293 -3.405 -11.596 1.00 0.00 H new ATOM 919 N GLU A 66 30.533 -4.649 -10.033 1.00 0.00 N ATOM 920 CA GLU A 66 31.521 -3.614 -9.637 1.00 0.00 C ATOM 921 C GLU A 66 31.988 -2.814 -10.848 1.00 0.00 C ATOM 922 O GLU A 66 32.897 -3.213 -11.547 1.00 0.00 O ATOM 923 CB GLU A 66 32.730 -4.318 -9.008 1.00 0.00 C ATOM 924 CG GLU A 66 32.275 -5.070 -7.756 1.00 0.00 C ATOM 925 CD GLU A 66 33.487 -5.712 -7.081 1.00 0.00 C ATOM 926 OE1 GLU A 66 34.125 -5.001 -6.322 1.00 0.00 O ATOM 927 OE2 GLU A 66 33.707 -6.879 -7.363 1.00 0.00 O ATOM 0 H GLU A 66 30.810 -5.613 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 66 31.055 -2.928 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.175 -5.011 -9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.498 -3.589 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.781 -4.385 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.546 -5.835 -8.023 1.00 0.00 H new ATOM 934 N ASP A 67 31.356 -1.694 -11.071 1.00 0.00 N ATOM 935 CA ASP A 67 31.746 -0.851 -12.228 1.00 0.00 C ATOM 936 C ASP A 67 33.055 -0.119 -11.951 1.00 0.00 C ATOM 937 O ASP A 67 33.939 -0.084 -12.783 1.00 0.00 O ATOM 938 CB ASP A 67 30.639 0.190 -12.462 1.00 0.00 C ATOM 939 CG ASP A 67 30.920 0.945 -13.762 1.00 0.00 C ATOM 940 OD1 ASP A 67 31.408 0.296 -14.672 1.00 0.00 O ATOM 941 OD2 ASP A 67 30.631 2.132 -13.772 1.00 0.00 O ATOM 0 H ASP A 67 30.591 -1.331 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 67 31.881 -1.487 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 67 29.668 -0.302 -12.516 1.00 0.00 H new ATOM 0 HB3 ASP A 67 30.597 0.887 -11.625 1.00 0.00 H new ATOM 946 N ASP A 68 33.154 0.452 -10.781 1.00 0.00 N ATOM 947 CA ASP A 68 34.396 1.185 -10.427 1.00 0.00 C ATOM 948 C ASP A 68 35.609 0.263 -10.472 1.00 0.00 C ATOM 949 O ASP A 68 35.486 -0.919 -10.726 1.00 0.00 O ATOM 950 CB ASP A 68 34.244 1.726 -9.000 1.00 0.00 C ATOM 951 CG ASP A 68 34.616 0.627 -8.002 1.00 0.00 C ATOM 952 OD1 ASP A 68 35.807 0.474 -7.786 1.00 0.00 O ATOM 953 OD2 ASP A 68 33.689 0.002 -7.513 1.00 0.00 O ATOM 0 H ASP A 68 32.432 0.441 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 68 34.547 1.992 -11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 68 34.886 2.595 -8.858 1.00 0.00 H new ATOM 0 HB3 ASP A 68 33.219 2.056 -8.831 1.00 0.00 H new ATOM 958 N LYS A 69 36.763 0.823 -10.225 1.00 0.00 N ATOM 959 CA LYS A 69 37.996 -0.004 -10.248 1.00 0.00 C ATOM 960 C LYS A 69 39.040 0.553 -9.283 1.00 0.00 C ATOM 961 O LYS A 69 40.202 0.666 -9.619 1.00 0.00 O ATOM 962 CB LYS A 69 38.572 0.027 -11.670 1.00 0.00 C ATOM 963 CG LYS A 69 39.303 -1.288 -11.941 1.00 0.00 C ATOM 964 CD LYS A 69 39.967 -1.219 -13.316 1.00 0.00 C ATOM 965 CE LYS A 69 40.718 -2.526 -13.577 1.00 0.00 C ATOM 966 NZ LYS A 69 40.221 -3.174 -14.823 1.00 0.00 N ATOM 0 H LYS A 69 36.901 1.810 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 69 37.749 -1.022 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.772 0.170 -12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 69 39.257 0.868 -11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 69 40.053 -1.467 -11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.602 -2.122 -11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 69 39.215 -1.057 -14.089 1.00 0.00 H new ATOM 0 HD3 LYS A 69 40.655 -0.375 -13.359 1.00 0.00 H new ATOM 0 HE2 LYS A 69 41.786 -2.327 -13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 69 40.588 -3.202 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 40.741 -4.060 -14.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 39.207 -3.381 -14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 40.368 -2.534 -15.629 1.00 0.00 H new ATOM 980 N GLU A 70 38.607 0.885 -8.097 1.00 0.00 N ATOM 981 CA GLU A 70 39.560 1.435 -7.100 1.00 0.00 C ATOM 982 C GLU A 70 40.229 2.697 -7.635 1.00 0.00 C ATOM 983 O GLU A 70 40.252 2.931 -8.827 1.00 0.00 O ATOM 984 CB GLU A 70 40.645 0.379 -6.821 1.00 0.00 C ATOM 985 CG GLU A 70 40.688 0.087 -5.319 1.00 0.00 C ATOM 986 CD GLU A 70 41.049 1.367 -4.565 1.00 0.00 C ATOM 987 OE1 GLU A 70 42.236 1.650 -4.516 1.00 0.00 O ATOM 988 OE2 GLU A 70 40.120 1.989 -4.079 1.00 0.00 O ATOM 0 H GLU A 70 37.641 0.799 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 70 39.016 1.683 -6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.431 -0.535 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 70 41.616 0.739 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.721 -0.287 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 70 41.422 -0.691 -5.109 1.00 0.00 H new ATOM 995 N ASN A 71 40.761 3.488 -6.744 1.00 0.00 N ATOM 996 CA ASN A 71 41.430 4.738 -7.188 1.00 0.00 C ATOM 997 C ASN A 71 42.508 5.158 -6.196 1.00 0.00 C ATOM 998 O ASN A 71 42.137 5.374 -5.054 1.00 0.00 O ATOM 999 CB ASN A 71 40.373 5.848 -7.271 1.00 0.00 C ATOM 1000 CG ASN A 71 39.757 5.858 -8.673 1.00 0.00 C ATOM 1001 OD1 ASN A 71 38.553 5.850 -8.833 1.00 0.00 O ATOM 1002 ND2 ASN A 71 40.547 5.876 -9.712 1.00 0.00 N ATOM 1003 OXT ASN A 71 43.644 5.241 -6.634 1.00 0.00 O ATOM 0 H ASN A 71 40.761 3.323 -5.737 1.00 0.00 H new ATOM 0 HA ASN A 71 41.897 4.568 -8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 71 39.598 5.684 -6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 71 40.827 6.815 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 71 40.152 5.883 -10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 71 41.559 5.883 -9.583 1.00 0.00 H new TER 1010 ASN A 71