USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 573 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 HIS :FLIP no HD1:sc= -2.02 F(o=-2.7!,f=-2) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0214 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 30:sc= 0.457 USER MOD Single : A 11 ASN : amide:sc= -4.67! C(o=-4.7!,f=-9.6!) USER MOD Single : A 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -50:sc= -1.1 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.413 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 46 MET CE :methyl 173:sc= -0.289 (180deg=-0.412) USER MOD Single : A 54 ASN : amide:sc= -7.55! C(o=-7.5!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc=-0.00521 X(o=-0.0052,f=-0.22) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.212 K(o=-0.21,f=-3.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -53:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.477 -18.716 -7.483 1.00 0.00 N ATOM 2 CA GLY A 1 11.661 -19.676 -8.202 1.00 0.00 C ATOM 3 C GLY A 1 10.456 -19.035 -8.861 1.00 0.00 C ATOM 4 O GLY A 1 10.509 -17.876 -9.273 1.00 0.00 O ATOM 0 H1 GLY A 1 13.476 -18.849 -7.740 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.180 -17.751 -7.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.361 -18.859 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.268 -20.167 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.325 -20.451 -7.513 1.00 0.00 H new ATOM 8 N SER A 2 9.366 -19.790 -8.961 1.00 0.00 N ATOM 9 CA SER A 2 8.144 -19.290 -9.580 1.00 0.00 C ATOM 10 C SER A 2 7.065 -19.046 -8.530 1.00 0.00 C ATOM 11 O SER A 2 6.723 -19.939 -7.755 1.00 0.00 O ATOM 12 CB SER A 2 7.636 -20.280 -10.629 1.00 0.00 C ATOM 13 OG SER A 2 6.687 -19.672 -11.487 1.00 0.00 O ATOM 0 H SER A 2 9.305 -20.750 -8.621 1.00 0.00 H new ATOM 0 HA SER A 2 8.374 -18.342 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.474 -20.654 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.185 -21.140 -10.134 1.00 0.00 H new ATOM 0 HG SER A 2 6.379 -20.325 -12.149 1.00 0.00 H new ATOM 19 N SER A 3 6.531 -17.828 -8.511 1.00 0.00 N ATOM 20 CA SER A 3 5.493 -17.464 -7.554 1.00 0.00 C ATOM 21 C SER A 3 4.145 -17.301 -8.250 1.00 0.00 C ATOM 22 O SER A 3 3.788 -16.208 -8.688 1.00 0.00 O ATOM 23 CB SER A 3 5.867 -16.168 -6.832 1.00 0.00 C ATOM 24 OG SER A 3 7.016 -16.348 -6.022 1.00 0.00 O ATOM 0 H SER A 3 6.800 -17.078 -9.147 1.00 0.00 H new ATOM 0 HA SER A 3 5.410 -18.268 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.053 -15.382 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.031 -15.838 -6.215 1.00 0.00 H new ATOM 0 HG SER A 3 7.235 -15.505 -5.573 1.00 0.00 H new ATOM 30 N GLY A 4 3.401 -18.398 -8.349 1.00 0.00 N ATOM 31 CA GLY A 4 2.101 -18.356 -8.994 1.00 0.00 C ATOM 32 C GLY A 4 2.194 -18.514 -10.498 1.00 0.00 C ATOM 33 O GLY A 4 3.199 -18.999 -11.017 1.00 0.00 O ATOM 0 H GLY A 4 3.675 -19.314 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.471 -19.147 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.614 -17.409 -8.761 1.00 0.00 H new ATOM 37 N SER A 5 1.144 -18.103 -11.201 1.00 0.00 N ATOM 38 CA SER A 5 1.109 -18.206 -12.655 1.00 0.00 C ATOM 39 C SER A 5 1.309 -16.838 -13.301 1.00 0.00 C ATOM 40 O SER A 5 0.690 -15.853 -12.899 1.00 0.00 O ATOM 41 CB SER A 5 -0.220 -18.810 -13.114 1.00 0.00 C ATOM 42 OG SER A 5 -0.400 -20.110 -12.579 1.00 0.00 O ATOM 0 H SER A 5 0.306 -17.695 -10.787 1.00 0.00 H new ATOM 0 HA SER A 5 1.923 -18.859 -12.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.043 -18.167 -12.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.246 -18.854 -14.203 1.00 0.00 H new ATOM 0 HG SER A 5 -1.257 -20.474 -12.885 1.00 0.00 H new ATOM 48 N SER A 6 2.177 -16.786 -14.306 1.00 0.00 N ATOM 49 CA SER A 6 2.462 -15.540 -15.007 1.00 0.00 C ATOM 50 C SER A 6 1.240 -15.061 -15.784 1.00 0.00 C ATOM 51 O SER A 6 0.747 -15.752 -16.675 1.00 0.00 O ATOM 52 CB SER A 6 3.646 -15.724 -15.959 1.00 0.00 C ATOM 53 OG SER A 6 4.878 -15.545 -15.282 1.00 0.00 O ATOM 0 H SER A 6 2.695 -17.593 -14.653 1.00 0.00 H new ATOM 0 HA SER A 6 2.717 -14.785 -14.264 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.611 -16.720 -16.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.571 -15.010 -16.779 1.00 0.00 H new ATOM 0 HG SER A 6 5.618 -15.670 -15.912 1.00 0.00 H new ATOM 59 N GLY A 7 0.755 -13.872 -15.440 1.00 0.00 N ATOM 60 CA GLY A 7 -0.406 -13.320 -16.113 1.00 0.00 C ATOM 61 C GLY A 7 -0.571 -11.835 -15.861 1.00 0.00 C ATOM 62 O GLY A 7 -0.015 -11.008 -16.585 1.00 0.00 O ATOM 0 H GLY A 7 1.146 -13.281 -14.707 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.318 -13.496 -17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.300 -13.844 -15.776 1.00 0.00 H new ATOM 66 N THR A 8 -1.340 -11.493 -14.831 1.00 0.00 N ATOM 67 CA THR A 8 -1.580 -10.097 -14.487 1.00 0.00 C ATOM 68 C THR A 8 -0.594 -9.615 -13.430 1.00 0.00 C ATOM 69 O THR A 8 -0.529 -10.164 -12.329 1.00 0.00 O ATOM 70 CB THR A 8 -3.015 -9.885 -13.968 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.242 -10.695 -12.810 1.00 0.00 O ATOM 72 CG2 THR A 8 -4.035 -10.232 -15.043 1.00 0.00 C ATOM 0 H THR A 8 -1.807 -12.164 -14.221 1.00 0.00 H new ATOM 0 HA THR A 8 -1.442 -9.518 -15.400 1.00 0.00 H new ATOM 0 HB THR A 8 -3.131 -8.834 -13.704 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.398 -10.822 -12.329 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.041 -10.075 -14.654 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.878 -9.594 -15.913 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.917 -11.276 -15.333 1.00 0.00 H new ATOM 80 N LEU A 9 0.173 -8.585 -13.770 1.00 0.00 N ATOM 81 CA LEU A 9 1.157 -8.026 -12.849 1.00 0.00 C ATOM 82 C LEU A 9 1.106 -6.502 -12.855 1.00 0.00 C ATOM 83 O LEU A 9 1.507 -5.862 -13.827 1.00 0.00 O ATOM 84 CB LEU A 9 2.562 -8.502 -13.223 1.00 0.00 C ATOM 85 CG LEU A 9 2.943 -9.906 -12.752 1.00 0.00 C ATOM 86 CD1 LEU A 9 2.434 -10.954 -13.730 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.451 -10.021 -12.581 1.00 0.00 C ATOM 0 H LEU A 9 0.133 -8.120 -14.677 1.00 0.00 H new ATOM 0 HA LEU A 9 0.917 -8.374 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.659 -8.466 -14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.284 -7.795 -12.814 1.00 0.00 H new ATOM 0 HG LEU A 9 2.473 -10.083 -11.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.715 -11.947 -13.378 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.348 -10.888 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.874 -10.779 -14.712 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.703 -11.027 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.941 -9.823 -13.534 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.790 -9.296 -11.841 1.00 0.00 H new ATOM 99 N ARG A 10 0.612 -5.927 -11.763 1.00 0.00 N ATOM 100 CA ARG A 10 0.510 -4.478 -11.643 1.00 0.00 C ATOM 101 C ARG A 10 1.794 -3.801 -12.111 1.00 0.00 C ATOM 102 O ARG A 10 2.868 -4.402 -12.087 1.00 0.00 O ATOM 103 CB ARG A 10 0.212 -4.085 -10.195 1.00 0.00 C ATOM 104 CG ARG A 10 -1.020 -4.765 -9.620 1.00 0.00 C ATOM 105 CD ARG A 10 -1.575 -3.999 -8.429 1.00 0.00 C ATOM 106 NE ARG A 10 -3.021 -4.158 -8.301 1.00 0.00 N ATOM 107 CZ ARG A 10 -3.900 -3.554 -9.093 1.00 0.00 C ATOM 108 NH1 ARG A 10 -3.481 -2.755 -10.065 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.200 -3.748 -8.914 1.00 0.00 N ATOM 0 H ARG A 10 0.276 -6.443 -10.949 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.309 -4.143 -12.280 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.075 -4.331 -9.576 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.079 -3.005 -10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.786 -4.845 -10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.767 -5.781 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.090 -4.347 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.335 -2.941 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.376 -4.766 -7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.482 -2.603 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.158 -2.292 -10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.526 -4.362 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.874 -3.283 -9.523 1.00 0.00 H new ATOM 123 N ASN A 11 1.676 -2.547 -12.536 1.00 0.00 N ATOM 124 CA ASN A 11 2.828 -1.789 -13.011 1.00 0.00 C ATOM 125 C ASN A 11 3.410 -0.929 -11.893 1.00 0.00 C ATOM 126 O ASN A 11 3.142 0.271 -11.815 1.00 0.00 O ATOM 127 CB ASN A 11 2.430 -0.906 -14.195 1.00 0.00 C ATOM 128 CG ASN A 11 1.497 0.219 -13.790 1.00 0.00 C ATOM 129 OD1 ASN A 11 0.446 -0.016 -13.194 1.00 0.00 O ATOM 130 ND2 ASN A 11 1.878 1.449 -14.115 1.00 0.00 N ATOM 0 H ASN A 11 0.794 -2.034 -12.561 1.00 0.00 H new ATOM 0 HA ASN A 11 3.590 -2.497 -13.335 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.327 -0.485 -14.648 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.947 -1.519 -14.956 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.291 2.246 -13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.758 1.596 -14.609 1.00 0.00 H new ATOM 137 N TYR A 12 4.209 -1.549 -11.032 1.00 0.00 N ATOM 138 CA TYR A 12 4.828 -0.840 -9.918 1.00 0.00 C ATOM 139 C TYR A 12 5.996 0.016 -10.399 1.00 0.00 C ATOM 140 O TYR A 12 6.651 -0.285 -11.396 1.00 0.00 O ATOM 141 CB TYR A 12 5.312 -1.834 -8.860 1.00 0.00 C ATOM 142 CG TYR A 12 4.222 -2.747 -8.344 1.00 0.00 C ATOM 143 CD1 TYR A 12 2.963 -2.251 -8.031 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.452 -4.106 -8.171 1.00 0.00 C ATOM 145 CE1 TYR A 12 1.965 -3.081 -7.559 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.460 -4.944 -7.700 1.00 0.00 C ATOM 147 CZ TYR A 12 2.218 -4.427 -7.395 1.00 0.00 C ATOM 148 OH TYR A 12 1.227 -5.258 -6.926 1.00 0.00 O ATOM 0 H TYR A 12 4.443 -2.540 -11.084 1.00 0.00 H new ATOM 0 HA TYR A 12 4.078 -0.184 -9.476 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.113 -2.441 -9.283 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.739 -1.282 -8.023 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.761 -1.198 -8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.423 -4.514 -8.409 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.992 -2.678 -7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.656 -5.998 -7.571 1.00 0.00 H new ATOM 0 HH TYR A 12 1.477 -6.191 -7.092 1.00 0.00 H new ATOM 158 N PRO A 13 6.264 1.111 -9.671 1.00 0.00 N ATOM 159 CA PRO A 13 5.490 1.480 -8.482 1.00 0.00 C ATOM 160 C PRO A 13 4.077 1.936 -8.828 1.00 0.00 C ATOM 161 O PRO A 13 3.766 2.201 -9.991 1.00 0.00 O ATOM 162 CB PRO A 13 6.293 2.637 -7.882 1.00 0.00 C ATOM 163 CG PRO A 13 7.035 3.221 -9.034 1.00 0.00 C ATOM 164 CD PRO A 13 7.342 2.073 -9.955 1.00 0.00 C ATOM 0 HA PRO A 13 5.358 0.637 -7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.638 3.375 -7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.976 2.286 -7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.436 3.978 -9.540 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.951 3.709 -8.701 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.338 2.384 -11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.325 1.647 -9.753 1.00 0.00 H new ATOM 172 N LEU A 14 3.224 2.026 -7.814 1.00 0.00 N ATOM 173 CA LEU A 14 1.843 2.451 -8.011 1.00 0.00 C ATOM 174 C LEU A 14 1.330 3.217 -6.795 1.00 0.00 C ATOM 175 O LEU A 14 1.140 2.645 -5.722 1.00 0.00 O ATOM 176 CB LEU A 14 0.949 1.239 -8.279 1.00 0.00 C ATOM 177 CG LEU A 14 1.039 0.635 -9.681 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.240 -0.656 -9.758 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.551 1.631 -10.723 1.00 0.00 C ATOM 0 H LEU A 14 3.465 1.810 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 14 1.813 3.115 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.196 0.463 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.086 1.528 -8.096 1.00 0.00 H new ATOM 0 HG LEU A 14 2.083 0.404 -9.890 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.316 -1.071 -10.763 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.636 -1.373 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.806 -0.451 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.622 1.184 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.487 1.894 -10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.167 2.529 -10.685 1.00 0.00 H new ATOM 191 N THR A 15 1.105 4.516 -6.972 1.00 0.00 N ATOM 192 CA THR A 15 0.613 5.360 -5.891 1.00 0.00 C ATOM 193 C THR A 15 -0.824 5.006 -5.527 1.00 0.00 C ATOM 194 O THR A 15 -1.686 4.895 -6.400 1.00 0.00 O ATOM 195 CB THR A 15 0.683 6.852 -6.267 1.00 0.00 C ATOM 196 OG1 THR A 15 1.934 7.139 -6.901 1.00 0.00 O ATOM 197 CG2 THR A 15 0.520 7.729 -5.034 1.00 0.00 C ATOM 0 H THR A 15 1.256 5.006 -7.854 1.00 0.00 H new ATOM 0 HA THR A 15 1.257 5.179 -5.031 1.00 0.00 H new ATOM 0 HB THR A 15 -0.132 7.069 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.970 8.089 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.573 8.778 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.446 7.529 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.316 7.509 -4.323 1.00 0.00 H new ATOM 205 N CYS A 16 -1.077 4.830 -4.235 1.00 0.00 N ATOM 206 CA CYS A 16 -2.411 4.488 -3.756 1.00 0.00 C ATOM 207 C CYS A 16 -2.888 5.492 -2.711 1.00 0.00 C ATOM 208 O CYS A 16 -2.114 6.323 -2.235 1.00 0.00 O ATOM 209 CB CYS A 16 -2.418 3.077 -3.166 1.00 0.00 C ATOM 210 SG CYS A 16 -1.110 2.778 -1.954 1.00 0.00 S ATOM 0 H CYS A 16 -0.375 4.919 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.094 4.522 -4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.384 2.897 -2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.319 2.355 -3.977 1.00 0.00 H new ATOM 0 HG CYS A 16 0.033 3.152 -2.448 1.00 0.00 H new ATOM 216 N LYS A 17 -4.167 5.411 -2.360 1.00 0.00 N ATOM 217 CA LYS A 17 -4.748 6.312 -1.372 1.00 0.00 C ATOM 218 C LYS A 17 -5.460 5.528 -0.274 1.00 0.00 C ATOM 219 O LYS A 17 -6.525 4.953 -0.499 1.00 0.00 O ATOM 220 CB LYS A 17 -5.729 7.274 -2.045 1.00 0.00 C ATOM 221 CG LYS A 17 -6.074 8.484 -1.194 1.00 0.00 C ATOM 222 CD LYS A 17 -7.219 8.187 -0.240 1.00 0.00 C ATOM 223 CE LYS A 17 -7.938 9.460 0.181 1.00 0.00 C ATOM 224 NZ LYS A 17 -9.283 9.173 0.752 1.00 0.00 N ATOM 0 H LYS A 17 -4.821 4.730 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.939 6.885 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.302 7.614 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.646 6.736 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.196 8.792 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.345 9.319 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.926 7.510 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.835 7.676 0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.336 9.990 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.042 10.120 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.741 10.065 1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.866 8.689 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.182 8.564 1.589 1.00 0.00 H new ATOM 238 N VAL A 18 -4.867 5.511 0.915 1.00 0.00 N ATOM 239 CA VAL A 18 -5.446 4.801 2.049 1.00 0.00 C ATOM 240 C VAL A 18 -6.830 5.343 2.389 1.00 0.00 C ATOM 241 O VAL A 18 -6.964 6.451 2.908 1.00 0.00 O ATOM 242 CB VAL A 18 -4.546 4.904 3.295 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.221 4.259 4.496 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.192 4.265 3.027 1.00 0.00 C ATOM 0 H VAL A 18 -3.985 5.981 1.118 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.531 3.754 1.757 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.387 5.958 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.570 4.341 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.165 4.766 4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.412 3.207 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.569 4.346 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.329 3.213 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.706 4.777 2.196 1.00 0.00 H new ATOM 254 N VAL A 19 -7.858 4.555 2.092 1.00 0.00 N ATOM 255 CA VAL A 19 -9.232 4.955 2.367 1.00 0.00 C ATOM 256 C VAL A 19 -9.690 4.446 3.729 1.00 0.00 C ATOM 257 O VAL A 19 -10.588 5.019 4.347 1.00 0.00 O ATOM 258 CB VAL A 19 -10.196 4.432 1.285 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.182 5.346 0.070 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.835 3.006 0.894 1.00 0.00 C ATOM 0 H VAL A 19 -7.765 3.635 1.661 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.251 6.045 2.364 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.206 4.428 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.869 4.960 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.493 6.348 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.174 5.386 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.526 2.652 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.818 2.982 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.902 2.361 1.770 1.00 0.00 H new ATOM 270 N TYR A 20 -9.068 3.368 4.192 1.00 0.00 N ATOM 271 CA TYR A 20 -9.413 2.780 5.481 1.00 0.00 C ATOM 272 C TYR A 20 -8.205 2.765 6.413 1.00 0.00 C ATOM 273 O TYR A 20 -7.139 2.263 6.058 1.00 0.00 O ATOM 274 CB TYR A 20 -9.942 1.358 5.291 1.00 0.00 C ATOM 275 CG TYR A 20 -11.395 1.303 4.875 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.821 1.889 3.690 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.341 0.664 5.667 1.00 0.00 C ATOM 278 CE1 TYR A 20 -13.148 1.842 3.306 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.669 0.611 5.291 1.00 0.00 C ATOM 280 CZ TYR A 20 -14.068 1.202 4.110 1.00 0.00 C ATOM 281 OH TYR A 20 -15.389 1.151 3.731 1.00 0.00 O ATOM 0 H TYR A 20 -8.322 2.883 3.694 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.192 3.393 5.935 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.338 0.852 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.818 0.806 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.103 2.390 3.058 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.033 0.201 6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.463 2.304 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.391 0.110 5.918 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.905 0.663 4.407 1.00 0.00 H new ATOM 291 N SER A 21 -8.382 3.318 7.608 1.00 0.00 N ATOM 292 CA SER A 21 -7.307 3.372 8.592 1.00 0.00 C ATOM 293 C SER A 21 -6.961 1.974 9.096 1.00 0.00 C ATOM 294 O SER A 21 -7.834 1.115 9.223 1.00 0.00 O ATOM 295 CB SER A 21 -7.707 4.266 9.768 1.00 0.00 C ATOM 296 OG SER A 21 -8.151 5.534 9.316 1.00 0.00 O ATOM 0 H SER A 21 -9.259 3.735 7.919 1.00 0.00 H new ATOM 0 HA SER A 21 -6.426 3.793 8.108 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.498 3.784 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.857 4.392 10.439 1.00 0.00 H new ATOM 0 HG SER A 21 -8.402 6.086 10.086 1.00 0.00 H new ATOM 302 N TYR A 22 -5.683 1.755 9.382 1.00 0.00 N ATOM 303 CA TYR A 22 -5.220 0.461 9.870 1.00 0.00 C ATOM 304 C TYR A 22 -3.973 0.620 10.735 1.00 0.00 C ATOM 305 O TYR A 22 -2.915 1.024 10.253 1.00 0.00 O ATOM 306 CB TYR A 22 -4.924 -0.474 8.697 1.00 0.00 C ATOM 307 CG TYR A 22 -4.552 -1.877 9.120 1.00 0.00 C ATOM 308 CD1 TYR A 22 -3.238 -2.204 9.433 1.00 0.00 C ATOM 309 CD2 TYR A 22 -5.513 -2.877 9.205 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.893 -3.484 9.819 1.00 0.00 C ATOM 311 CE2 TYR A 22 -5.177 -4.160 9.592 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.866 -4.459 9.897 1.00 0.00 C ATOM 313 OH TYR A 22 -3.527 -5.736 10.282 1.00 0.00 O ATOM 0 H TYR A 22 -4.949 2.456 9.285 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.012 0.027 10.481 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.799 -0.519 8.049 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.111 -0.054 8.105 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.473 -1.444 9.373 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.540 -2.647 8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.867 -3.721 10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.937 -4.925 9.655 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.328 -6.300 10.287 1.00 0.00 H new ATOM 323 N LYS A 23 -4.106 0.298 12.018 1.00 0.00 N ATOM 324 CA LYS A 23 -2.992 0.401 12.953 1.00 0.00 C ATOM 325 C LYS A 23 -2.116 -0.846 12.896 1.00 0.00 C ATOM 326 O LYS A 23 -2.600 -1.964 13.073 1.00 0.00 O ATOM 327 CB LYS A 23 -3.512 0.608 14.377 1.00 0.00 C ATOM 328 CG LYS A 23 -3.764 2.064 14.727 1.00 0.00 C ATOM 329 CD LYS A 23 -2.464 2.837 14.866 1.00 0.00 C ATOM 330 CE LYS A 23 -2.718 4.309 15.154 1.00 0.00 C ATOM 331 NZ LYS A 23 -1.518 5.145 14.873 1.00 0.00 N ATOM 0 H LYS A 23 -4.975 -0.037 12.434 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.387 1.261 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.439 0.048 14.501 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.791 0.193 15.082 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.381 2.523 13.954 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.325 2.123 15.660 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.867 2.406 15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.882 2.740 13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.554 4.658 14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.008 4.430 16.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.732 6.141 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.727 4.828 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.256 5.050 13.871 1.00 0.00 H new ATOM 345 N ALA A 24 -0.826 -0.647 12.648 1.00 0.00 N ATOM 346 CA ALA A 24 0.117 -1.756 12.572 1.00 0.00 C ATOM 347 C ALA A 24 0.583 -2.177 13.962 1.00 0.00 C ATOM 348 O ALA A 24 1.232 -1.406 14.669 1.00 0.00 O ATOM 349 CB ALA A 24 1.309 -1.376 11.706 1.00 0.00 C ATOM 0 H ALA A 24 -0.410 0.272 12.496 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.394 -2.604 12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.005 -2.213 11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.965 -1.132 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.811 -0.511 12.138 1.00 0.00 H new ATOM 355 N SER A 25 0.248 -3.404 14.347 1.00 0.00 N ATOM 356 CA SER A 25 0.629 -3.926 15.654 1.00 0.00 C ATOM 357 C SER A 25 2.058 -4.460 15.631 1.00 0.00 C ATOM 358 O SER A 25 2.818 -4.270 16.580 1.00 0.00 O ATOM 359 CB SER A 25 -0.334 -5.033 16.085 1.00 0.00 C ATOM 360 OG SER A 25 0.131 -5.688 17.252 1.00 0.00 O ATOM 0 H SER A 25 -0.287 -4.055 13.772 1.00 0.00 H new ATOM 0 HA SER A 25 0.577 -3.108 16.373 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.321 -4.609 16.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.445 -5.757 15.278 1.00 0.00 H new ATOM 0 HG SER A 25 -0.503 -6.390 17.508 1.00 0.00 H new ATOM 366 N GLN A 26 2.415 -5.128 14.539 1.00 0.00 N ATOM 367 CA GLN A 26 3.752 -5.691 14.392 1.00 0.00 C ATOM 368 C GLN A 26 4.667 -4.731 13.638 1.00 0.00 C ATOM 369 O GLN A 26 4.215 -3.840 12.919 1.00 0.00 O ATOM 370 CB GLN A 26 3.686 -7.032 13.660 1.00 0.00 C ATOM 371 CG GLN A 26 3.427 -8.215 14.579 1.00 0.00 C ATOM 372 CD GLN A 26 3.607 -9.548 13.879 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.486 -9.643 12.658 1.00 0.00 O ATOM 374 NE2 GLN A 26 3.898 -10.588 14.652 1.00 0.00 N ATOM 0 H GLN A 26 1.798 -5.293 13.744 1.00 0.00 H new ATOM 0 HA GLN A 26 4.164 -5.849 15.389 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.898 -6.988 12.908 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.624 -7.193 13.129 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.104 -8.163 15.432 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.413 -8.149 14.972 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.989 -10.464 15.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.030 -11.510 14.237 1.00 0.00 H new ATOM 383 N PRO A 27 5.985 -4.914 13.806 1.00 0.00 N ATOM 384 CA PRO A 27 6.991 -4.074 13.149 1.00 0.00 C ATOM 385 C PRO A 27 7.050 -4.310 11.644 1.00 0.00 C ATOM 386 O PRO A 27 7.287 -3.383 10.869 1.00 0.00 O ATOM 387 CB PRO A 27 8.302 -4.508 13.810 1.00 0.00 C ATOM 388 CG PRO A 27 8.050 -5.901 14.272 1.00 0.00 C ATOM 389 CD PRO A 27 6.595 -5.956 14.649 1.00 0.00 C ATOM 0 HA PRO A 27 6.772 -3.012 13.262 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.133 -4.469 13.105 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.560 -3.855 14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.277 -6.620 13.485 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.683 -6.150 15.123 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.165 -6.937 14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.447 -5.753 15.710 1.00 0.00 H new ATOM 397 N ASP A 28 6.832 -5.556 11.236 1.00 0.00 N ATOM 398 CA ASP A 28 6.859 -5.913 9.822 1.00 0.00 C ATOM 399 C ASP A 28 5.730 -5.221 9.065 1.00 0.00 C ATOM 400 O ASP A 28 5.783 -5.083 7.844 1.00 0.00 O ATOM 401 CB ASP A 28 6.748 -7.429 9.655 1.00 0.00 C ATOM 402 CG ASP A 28 5.695 -8.036 10.562 1.00 0.00 C ATOM 403 OD1 ASP A 28 4.581 -7.476 10.634 1.00 0.00 O ATOM 404 OD2 ASP A 28 5.985 -9.070 11.200 1.00 0.00 O ATOM 0 H ASP A 28 6.635 -6.335 11.864 1.00 0.00 H new ATOM 0 HA ASP A 28 7.809 -5.578 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.507 -7.661 8.618 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.714 -7.887 9.868 1.00 0.00 H new ATOM 409 N GLU A 29 4.709 -4.790 9.799 1.00 0.00 N ATOM 410 CA GLU A 29 3.566 -4.115 9.196 1.00 0.00 C ATOM 411 C GLU A 29 3.842 -2.624 9.027 1.00 0.00 C ATOM 412 O GLU A 29 4.890 -2.124 9.439 1.00 0.00 O ATOM 413 CB GLU A 29 2.314 -4.320 10.052 1.00 0.00 C ATOM 414 CG GLU A 29 1.602 -5.634 9.783 1.00 0.00 C ATOM 415 CD GLU A 29 0.734 -5.584 8.541 1.00 0.00 C ATOM 416 OE1 GLU A 29 -0.109 -4.668 8.443 1.00 0.00 O ATOM 417 OE2 GLU A 29 0.897 -6.461 7.666 1.00 0.00 O ATOM 0 H GLU A 29 4.650 -4.896 10.812 1.00 0.00 H new ATOM 0 HA GLU A 29 3.398 -4.550 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.593 -4.276 11.105 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.622 -3.498 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.341 -6.428 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.984 -5.891 10.643 1.00 0.00 H new ATOM 424 N LEU A 30 2.896 -1.918 8.419 1.00 0.00 N ATOM 425 CA LEU A 30 3.036 -0.483 8.195 1.00 0.00 C ATOM 426 C LEU A 30 1.808 0.269 8.698 1.00 0.00 C ATOM 427 O LEU A 30 0.697 0.069 8.204 1.00 0.00 O ATOM 428 CB LEU A 30 3.248 -0.198 6.707 1.00 0.00 C ATOM 429 CG LEU A 30 4.086 1.037 6.374 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.320 2.308 6.707 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.411 1.000 7.121 1.00 0.00 C ATOM 0 H LEU A 30 2.023 -2.315 8.072 1.00 0.00 H new ATOM 0 HA LEU A 30 3.906 -0.136 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.724 -1.068 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.271 -0.088 6.236 1.00 0.00 H new ATOM 0 HG LEU A 30 4.295 1.033 5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.932 3.176 6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.398 2.340 6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.080 2.320 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.994 1.887 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.223 0.979 8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.966 0.108 6.833 1.00 0.00 H new ATOM 443 N THR A 31 2.014 1.138 9.683 1.00 0.00 N ATOM 444 CA THR A 31 0.925 1.921 10.253 1.00 0.00 C ATOM 445 C THR A 31 0.378 2.919 9.239 1.00 0.00 C ATOM 446 O THR A 31 1.075 3.848 8.829 1.00 0.00 O ATOM 447 CB THR A 31 1.380 2.682 11.512 1.00 0.00 C ATOM 448 OG1 THR A 31 2.098 1.802 12.384 1.00 0.00 O ATOM 449 CG2 THR A 31 0.186 3.272 12.248 1.00 0.00 C ATOM 0 H THR A 31 2.926 1.317 10.103 1.00 0.00 H new ATOM 0 HA THR A 31 0.139 1.218 10.528 1.00 0.00 H new ATOM 0 HB THR A 31 2.034 3.497 11.201 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.385 2.294 13.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.532 3.805 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.341 3.964 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.489 2.470 12.547 1.00 0.00 H new ATOM 457 N ILE A 32 -0.874 2.722 8.839 1.00 0.00 N ATOM 458 CA ILE A 32 -1.515 3.607 7.874 1.00 0.00 C ATOM 459 C ILE A 32 -2.728 4.301 8.486 1.00 0.00 C ATOM 460 O ILE A 32 -3.233 3.884 9.527 1.00 0.00 O ATOM 461 CB ILE A 32 -1.959 2.840 6.615 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.971 1.754 6.983 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.753 2.232 5.913 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.527 1.015 5.785 1.00 0.00 C ATOM 0 H ILE A 32 -1.464 1.958 9.168 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.774 4.355 7.592 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.439 3.540 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.496 1.038 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.795 2.208 7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.083 1.693 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.064 3.025 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.248 1.542 6.589 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.238 0.260 6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.032 1.720 5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.712 0.532 5.245 1.00 0.00 H new ATOM 476 N GLU A 33 -3.189 5.362 7.831 1.00 0.00 N ATOM 477 CA GLU A 33 -4.343 6.113 8.310 1.00 0.00 C ATOM 478 C GLU A 33 -5.047 6.824 7.158 1.00 0.00 C ATOM 479 O GLU A 33 -4.400 7.387 6.275 1.00 0.00 O ATOM 480 CB GLU A 33 -3.912 7.133 9.366 1.00 0.00 C ATOM 481 CG GLU A 33 -3.951 6.593 10.786 1.00 0.00 C ATOM 482 CD GLU A 33 -3.890 7.691 11.830 1.00 0.00 C ATOM 483 OE1 GLU A 33 -2.779 8.194 12.096 1.00 0.00 O ATOM 484 OE2 GLU A 33 -4.953 8.047 12.380 1.00 0.00 O ATOM 0 H GLU A 33 -2.781 5.721 6.968 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.042 5.408 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.900 7.470 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.560 8.007 9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.864 6.014 10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.115 5.910 10.934 1.00 0.00 H new ATOM 491 N GLU A 34 -6.376 6.792 7.174 1.00 0.00 N ATOM 492 CA GLU A 34 -7.167 7.432 6.129 1.00 0.00 C ATOM 493 C GLU A 34 -6.520 8.739 5.680 1.00 0.00 C ATOM 494 O GLU A 34 -5.958 9.477 6.490 1.00 0.00 O ATOM 495 CB GLU A 34 -8.589 7.699 6.627 1.00 0.00 C ATOM 496 CG GLU A 34 -9.586 7.959 5.511 1.00 0.00 C ATOM 497 CD GLU A 34 -11.013 8.057 6.014 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.356 9.092 6.624 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.786 7.101 5.799 1.00 0.00 O ATOM 0 H GLU A 34 -6.927 6.330 7.898 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.209 6.756 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.927 6.844 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.575 8.558 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.321 8.885 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.519 7.158 4.775 1.00 0.00 H new ATOM 506 N HIS A 35 -6.602 9.018 4.383 1.00 0.00 N ATOM 507 CA HIS A 35 -6.025 10.236 3.825 1.00 0.00 C ATOM 508 C HIS A 35 -4.501 10.165 3.826 1.00 0.00 C ATOM 509 O HIS A 35 -3.827 11.115 4.221 1.00 0.00 O ATOM 510 CB HIS A 35 -6.491 11.457 4.620 1.00 0.00 C ATOM 511 CG HIS A 35 -7.963 11.467 4.895 1.00 0.00 C ATOM 512 ND1 HIS A 35 -9.007 11.045 4.143 1.00 0.00 N flip ATOM 513 CD2 HIS A 35 -8.507 11.956 6.063 1.00 0.00 C flip ATOM 514 CE1 HIS A 35 -10.150 11.283 4.865 1.00 0.00 C flip ATOM 515 NE2 HIS A 35 -9.821 11.833 6.020 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.062 8.417 3.699 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.366 10.331 2.794 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.953 11.491 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.226 12.360 4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.946 12.375 6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.155 11.057 4.541 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.471 12.115 6.754 1.00 0.00 H new ATOM 524 N GLU A 36 -3.966 9.032 3.382 1.00 0.00 N ATOM 525 CA GLU A 36 -2.522 8.837 3.334 1.00 0.00 C ATOM 526 C GLU A 36 -2.102 8.204 2.010 1.00 0.00 C ATOM 527 O GLU A 36 -2.359 7.026 1.763 1.00 0.00 O ATOM 528 CB GLU A 36 -2.064 7.959 4.500 1.00 0.00 C ATOM 529 CG GLU A 36 -0.557 7.948 4.699 1.00 0.00 C ATOM 530 CD GLU A 36 -0.139 7.193 5.946 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.105 7.811 7.030 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.154 5.984 5.837 1.00 0.00 O ATOM 0 H GLU A 36 -4.511 8.236 3.051 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.046 9.814 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.540 8.309 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.407 6.938 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.083 7.495 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.195 8.974 4.762 1.00 0.00 H new ATOM 539 N VAL A 37 -1.454 8.996 1.162 1.00 0.00 N ATOM 540 CA VAL A 37 -0.997 8.514 -0.137 1.00 0.00 C ATOM 541 C VAL A 37 0.345 7.803 -0.018 1.00 0.00 C ATOM 542 O VAL A 37 1.343 8.399 0.390 1.00 0.00 O ATOM 543 CB VAL A 37 -0.867 9.668 -1.149 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.361 9.150 -2.487 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.198 10.385 -1.314 1.00 0.00 C ATOM 0 H VAL A 37 -1.233 9.974 1.351 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.747 7.809 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.140 10.384 -0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.275 9.979 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.616 8.687 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.061 8.413 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.087 11.197 -2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.948 9.681 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.514 10.791 -0.353 1.00 0.00 H new ATOM 555 N LEU A 38 0.364 6.524 -0.376 1.00 0.00 N ATOM 556 CA LEU A 38 1.586 5.729 -0.311 1.00 0.00 C ATOM 557 C LEU A 38 2.071 5.359 -1.709 1.00 0.00 C ATOM 558 O LEU A 38 1.468 5.750 -2.708 1.00 0.00 O ATOM 559 CB LEU A 38 1.349 4.461 0.511 1.00 0.00 C ATOM 560 CG LEU A 38 0.758 4.666 1.907 1.00 0.00 C ATOM 561 CD1 LEU A 38 0.086 3.392 2.394 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.838 5.108 2.883 1.00 0.00 C ATOM 0 H LEU A 38 -0.453 6.015 -0.714 1.00 0.00 H new ATOM 0 HA LEU A 38 2.356 6.330 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.683 3.807 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.299 3.936 0.614 1.00 0.00 H new ATOM 0 HG LEU A 38 0.004 5.451 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.329 3.557 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.715 3.118 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.819 2.587 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.400 5.249 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.615 4.345 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.274 6.047 2.542 1.00 0.00 H new ATOM 574 N GLU A 39 3.161 4.602 -1.770 1.00 0.00 N ATOM 575 CA GLU A 39 3.726 4.178 -3.046 1.00 0.00 C ATOM 576 C GLU A 39 4.013 2.679 -3.044 1.00 0.00 C ATOM 577 O GLU A 39 5.005 2.227 -2.471 1.00 0.00 O ATOM 578 CB GLU A 39 5.010 4.954 -3.345 1.00 0.00 C ATOM 579 CG GLU A 39 5.418 4.918 -4.808 1.00 0.00 C ATOM 580 CD GLU A 39 6.431 5.990 -5.158 1.00 0.00 C ATOM 581 OE1 GLU A 39 6.076 7.186 -5.092 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.579 5.634 -5.498 1.00 0.00 O ATOM 0 H GLU A 39 3.671 4.270 -0.951 1.00 0.00 H new ATOM 0 HA GLU A 39 2.993 4.389 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.876 5.992 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.820 4.546 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.836 3.939 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.533 5.043 -5.431 1.00 0.00 H new ATOM 589 N VAL A 40 3.139 1.913 -3.688 1.00 0.00 N ATOM 590 CA VAL A 40 3.298 0.466 -3.761 1.00 0.00 C ATOM 591 C VAL A 40 4.505 0.088 -4.611 1.00 0.00 C ATOM 592 O VAL A 40 4.468 0.187 -5.838 1.00 0.00 O ATOM 593 CB VAL A 40 2.042 -0.208 -4.344 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.230 -1.716 -4.418 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.815 0.144 -3.515 1.00 0.00 C ATOM 0 H VAL A 40 2.313 2.271 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 40 3.451 0.113 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 40 1.888 0.165 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.332 -2.175 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.083 -1.945 -5.057 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.410 -2.110 -3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.063 -0.341 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.957 -0.199 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.671 1.224 -3.519 1.00 0.00 H new ATOM 605 N ILE A 41 5.574 -0.346 -3.952 1.00 0.00 N ATOM 606 CA ILE A 41 6.792 -0.740 -4.648 1.00 0.00 C ATOM 607 C ILE A 41 6.841 -2.250 -4.857 1.00 0.00 C ATOM 608 O ILE A 41 7.320 -2.728 -5.885 1.00 0.00 O ATOM 609 CB ILE A 41 8.050 -0.299 -3.875 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.001 -0.822 -2.438 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.176 1.217 -3.890 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.248 -0.511 -1.640 1.00 0.00 C ATOM 0 H ILE A 41 5.621 -0.434 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 41 6.778 -0.241 -5.617 1.00 0.00 H new ATOM 0 HB ILE A 41 8.927 -0.721 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.138 -0.390 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.851 -1.902 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.069 1.513 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.252 1.566 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.297 1.660 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.144 -0.911 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.112 -0.966 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.388 0.569 -1.589 1.00 0.00 H new ATOM 624 N GLU A 42 6.341 -2.995 -3.877 1.00 0.00 N ATOM 625 CA GLU A 42 6.327 -4.451 -3.955 1.00 0.00 C ATOM 626 C GLU A 42 4.940 -5.000 -3.634 1.00 0.00 C ATOM 627 O GLU A 42 4.060 -4.267 -3.181 1.00 0.00 O ATOM 628 CB GLU A 42 7.358 -5.045 -2.993 1.00 0.00 C ATOM 629 CG GLU A 42 8.786 -4.969 -3.508 1.00 0.00 C ATOM 630 CD GLU A 42 9.736 -5.854 -2.726 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.268 -6.852 -2.138 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.947 -5.550 -2.701 1.00 0.00 O ATOM 0 H GLU A 42 5.940 -2.615 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 42 6.585 -4.737 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.296 -4.521 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.105 -6.088 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.805 -5.260 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.132 -3.937 -3.457 1.00 0.00 H new ATOM 639 N ASP A 43 4.752 -6.293 -3.872 1.00 0.00 N ATOM 640 CA ASP A 43 3.473 -6.942 -3.608 1.00 0.00 C ATOM 641 C ASP A 43 3.498 -7.667 -2.267 1.00 0.00 C ATOM 642 O ASP A 43 2.812 -8.671 -2.079 1.00 0.00 O ATOM 643 CB ASP A 43 3.136 -7.926 -4.729 1.00 0.00 C ATOM 644 CG ASP A 43 4.371 -8.576 -5.320 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.178 -9.132 -4.545 1.00 0.00 O ATOM 646 OD2 ASP A 43 4.531 -8.529 -6.557 1.00 0.00 O ATOM 0 H ASP A 43 5.470 -6.913 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 43 2.703 -6.171 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.472 -8.699 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.592 -7.403 -5.516 1.00 0.00 H new ATOM 651 N GLY A 44 4.296 -7.152 -1.336 1.00 0.00 N ATOM 652 CA GLY A 44 4.396 -7.764 -0.024 1.00 0.00 C ATOM 653 C GLY A 44 4.664 -9.255 -0.098 1.00 0.00 C ATOM 654 O GLY A 44 4.784 -9.817 -1.187 1.00 0.00 O ATOM 0 H GLY A 44 4.875 -6.322 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.196 -7.282 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.471 -7.591 0.526 1.00 0.00 H new ATOM 658 N ASP A 45 4.759 -9.896 1.061 1.00 0.00 N ATOM 659 CA ASP A 45 5.014 -11.330 1.123 1.00 0.00 C ATOM 660 C ASP A 45 3.777 -12.121 0.711 1.00 0.00 C ATOM 661 O ASP A 45 3.879 -13.146 0.037 1.00 0.00 O ATOM 662 CB ASP A 45 5.446 -11.733 2.534 1.00 0.00 C ATOM 663 CG ASP A 45 6.198 -13.049 2.556 1.00 0.00 C ATOM 664 OD1 ASP A 45 5.875 -13.930 1.733 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.109 -13.197 3.397 1.00 0.00 O ATOM 0 H ASP A 45 4.663 -9.445 1.971 1.00 0.00 H new ATOM 0 HA ASP A 45 5.819 -11.561 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.077 -10.950 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.566 -11.810 3.172 1.00 0.00 H new ATOM 670 N MET A 46 2.608 -11.638 1.122 1.00 0.00 N ATOM 671 CA MET A 46 1.351 -12.301 0.795 1.00 0.00 C ATOM 672 C MET A 46 0.693 -11.650 -0.417 1.00 0.00 C ATOM 673 O MET A 46 0.663 -10.425 -0.535 1.00 0.00 O ATOM 674 CB MET A 46 0.400 -12.255 1.993 1.00 0.00 C ATOM 675 CG MET A 46 0.843 -13.129 3.155 1.00 0.00 C ATOM 676 SD MET A 46 -0.211 -12.942 4.606 1.00 0.00 S ATOM 677 CE MET A 46 -1.768 -13.565 3.975 1.00 0.00 C ATOM 0 H MET A 46 2.506 -10.791 1.681 1.00 0.00 H new ATOM 0 HA MET A 46 1.569 -13.341 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.312 -11.225 2.337 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.593 -12.569 1.671 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.841 -14.173 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.870 -12.879 3.422 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.490 -13.631 4.789 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.146 -12.889 3.208 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.616 -14.554 3.544 1.00 0.00 H new ATOM 687 N GLU A 47 0.167 -12.477 -1.315 1.00 0.00 N ATOM 688 CA GLU A 47 -0.490 -11.980 -2.518 1.00 0.00 C ATOM 689 C GLU A 47 -1.557 -10.947 -2.169 1.00 0.00 C ATOM 690 O GLU A 47 -1.667 -9.908 -2.819 1.00 0.00 O ATOM 691 CB GLU A 47 -1.119 -13.137 -3.297 1.00 0.00 C ATOM 692 CG GLU A 47 -2.122 -13.942 -2.487 1.00 0.00 C ATOM 693 CD GLU A 47 -3.532 -13.394 -2.593 1.00 0.00 C ATOM 694 OE1 GLU A 47 -3.963 -13.078 -3.721 1.00 0.00 O ATOM 695 OE2 GLU A 47 -4.204 -13.282 -1.546 1.00 0.00 O ATOM 0 H GLU A 47 0.183 -13.494 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 47 0.265 -11.500 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.615 -12.740 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.328 -13.802 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.112 -14.977 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.817 -13.949 -1.441 1.00 0.00 H new ATOM 702 N ASP A 48 -2.342 -11.242 -1.138 1.00 0.00 N ATOM 703 CA ASP A 48 -3.401 -10.340 -0.701 1.00 0.00 C ATOM 704 C ASP A 48 -2.816 -9.052 -0.131 1.00 0.00 C ATOM 705 O ASP A 48 -3.414 -7.982 -0.248 1.00 0.00 O ATOM 706 CB ASP A 48 -4.282 -11.023 0.347 1.00 0.00 C ATOM 707 CG ASP A 48 -5.045 -10.028 1.199 1.00 0.00 C ATOM 708 OD1 ASP A 48 -6.015 -9.431 0.688 1.00 0.00 O ATOM 709 OD2 ASP A 48 -4.671 -9.845 2.377 1.00 0.00 O ATOM 0 H ASP A 48 -2.265 -12.099 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.011 -10.088 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.988 -11.686 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.660 -11.646 0.990 1.00 0.00 H new ATOM 714 N TRP A 49 -1.646 -9.162 0.487 1.00 0.00 N ATOM 715 CA TRP A 49 -0.981 -8.006 1.077 1.00 0.00 C ATOM 716 C TRP A 49 -0.054 -7.337 0.067 1.00 0.00 C ATOM 717 O TRP A 49 0.204 -7.880 -1.007 1.00 0.00 O ATOM 718 CB TRP A 49 -0.188 -8.424 2.316 1.00 0.00 C ATOM 719 CG TRP A 49 -1.054 -8.919 3.436 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.701 -10.120 3.503 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.368 -8.223 4.647 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.398 -10.213 4.683 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.210 -9.063 5.403 1.00 0.00 C ATOM 724 CE3 TRP A 49 -1.019 -6.975 5.168 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.706 -8.691 6.649 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.513 -6.607 6.405 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.348 -7.463 7.135 1.00 0.00 C ATOM 0 H TRP A 49 -1.138 -10.040 0.593 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.747 -7.289 1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.519 -9.206 2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.398 -7.575 2.667 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.669 -10.884 2.740 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.964 -11.010 4.976 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.374 -6.309 4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.351 -9.349 7.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.251 -5.643 6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.716 -7.148 8.100 1.00 0.00 H new ATOM 738 N VAL A 50 0.444 -6.156 0.419 1.00 0.00 N ATOM 739 CA VAL A 50 1.344 -5.415 -0.456 1.00 0.00 C ATOM 740 C VAL A 50 2.294 -4.536 0.350 1.00 0.00 C ATOM 741 O VAL A 50 2.006 -4.174 1.491 1.00 0.00 O ATOM 742 CB VAL A 50 0.562 -4.533 -1.448 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.287 -5.392 -2.372 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.300 -3.527 -0.700 1.00 0.00 C ATOM 0 H VAL A 50 0.239 -5.692 1.304 1.00 0.00 H new ATOM 0 HA VAL A 50 1.921 -6.152 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 50 1.277 -3.982 -2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.832 -4.752 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.357 -6.069 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.996 -5.972 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.846 -2.912 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.008 -4.057 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.335 -2.890 -0.085 1.00 0.00 H new ATOM 754 N LYS A 51 3.428 -4.193 -0.252 1.00 0.00 N ATOM 755 CA LYS A 51 4.422 -3.354 0.408 1.00 0.00 C ATOM 756 C LYS A 51 4.334 -1.915 -0.088 1.00 0.00 C ATOM 757 O LYS A 51 4.270 -1.666 -1.292 1.00 0.00 O ATOM 758 CB LYS A 51 5.828 -3.905 0.162 1.00 0.00 C ATOM 759 CG LYS A 51 6.801 -3.616 1.292 1.00 0.00 C ATOM 760 CD LYS A 51 8.072 -4.437 1.158 1.00 0.00 C ATOM 761 CE LYS A 51 8.683 -4.744 2.516 1.00 0.00 C ATOM 762 NZ LYS A 51 9.805 -5.719 2.412 1.00 0.00 N ATOM 0 H LYS A 51 3.682 -4.483 -1.196 1.00 0.00 H new ATOM 0 HA LYS A 51 4.217 -3.364 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.766 -4.983 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.220 -3.479 -0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.051 -2.555 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.325 -3.834 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.851 -5.369 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.794 -3.895 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.045 -3.821 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.915 -5.144 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.195 -5.902 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.455 -6.609 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.550 -5.327 1.801 1.00 0.00 H new ATOM 776 N ALA A 52 4.332 -0.970 0.847 1.00 0.00 N ATOM 777 CA ALA A 52 4.255 0.444 0.504 1.00 0.00 C ATOM 778 C ALA A 52 5.135 1.281 1.427 1.00 0.00 C ATOM 779 O ALA A 52 5.470 0.857 2.533 1.00 0.00 O ATOM 780 CB ALA A 52 2.813 0.925 0.567 1.00 0.00 C ATOM 0 H ALA A 52 4.383 -1.159 1.848 1.00 0.00 H new ATOM 0 HA ALA A 52 4.622 0.566 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.771 1.983 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.208 0.355 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.426 0.782 1.576 1.00 0.00 H new ATOM 786 N ARG A 53 5.506 2.470 0.964 1.00 0.00 N ATOM 787 CA ARG A 53 6.349 3.366 1.748 1.00 0.00 C ATOM 788 C ARG A 53 5.638 4.690 2.010 1.00 0.00 C ATOM 789 O ARG A 53 5.100 5.310 1.093 1.00 0.00 O ATOM 790 CB ARG A 53 7.672 3.620 1.023 1.00 0.00 C ATOM 791 CG ARG A 53 8.573 4.618 1.731 1.00 0.00 C ATOM 792 CD ARG A 53 9.646 5.159 0.799 1.00 0.00 C ATOM 793 NE ARG A 53 9.084 6.009 -0.247 1.00 0.00 N ATOM 794 CZ ARG A 53 8.742 7.278 -0.058 1.00 0.00 C ATOM 795 NH1 ARG A 53 8.903 7.842 1.131 1.00 0.00 N ATOM 796 NH2 ARG A 53 8.237 7.987 -1.061 1.00 0.00 N ATOM 0 H ARG A 53 5.237 2.836 0.051 1.00 0.00 H new ATOM 0 HA ARG A 53 6.553 2.887 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.205 2.675 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.461 3.983 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.973 5.443 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.043 4.140 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.374 5.728 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.182 4.327 0.341 1.00 0.00 H new ATOM 0 HE ARG A 53 8.947 5.606 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.291 7.301 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.639 8.817 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.112 7.557 -1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.974 8.962 -0.915 1.00 0.00 H new ATOM 810 N ASN A 54 5.641 5.118 3.268 1.00 0.00 N ATOM 811 CA ASN A 54 4.995 6.368 3.652 1.00 0.00 C ATOM 812 C ASN A 54 5.971 7.537 3.553 1.00 0.00 C ATOM 813 O ASN A 54 7.148 7.353 3.242 1.00 0.00 O ATOM 814 CB ASN A 54 4.446 6.267 5.077 1.00 0.00 C ATOM 815 CG ASN A 54 5.339 5.442 5.983 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.477 5.128 5.633 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.825 5.085 7.154 1.00 0.00 N ATOM 0 H ASN A 54 6.084 4.618 4.039 1.00 0.00 H new ATOM 0 HA ASN A 54 4.169 6.547 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.337 7.268 5.493 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.451 5.823 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.378 4.528 7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.877 5.368 7.402 1.00 0.00 H new ATOM 824 N LYS A 55 5.474 8.740 3.821 1.00 0.00 N ATOM 825 CA LYS A 55 6.301 9.939 3.764 1.00 0.00 C ATOM 826 C LYS A 55 7.509 9.812 4.686 1.00 0.00 C ATOM 827 O LYS A 55 8.607 10.256 4.352 1.00 0.00 O ATOM 828 CB LYS A 55 5.478 11.170 4.152 1.00 0.00 C ATOM 829 CG LYS A 55 4.837 11.065 5.525 1.00 0.00 C ATOM 830 CD LYS A 55 3.886 12.221 5.787 1.00 0.00 C ATOM 831 CE LYS A 55 3.269 12.132 7.175 1.00 0.00 C ATOM 832 NZ LYS A 55 2.368 13.283 7.456 1.00 0.00 N ATOM 0 H LYS A 55 4.502 8.910 4.080 1.00 0.00 H new ATOM 0 HA LYS A 55 6.658 10.055 2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.121 12.049 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.698 11.325 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.295 10.122 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.613 11.051 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.422 13.165 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.096 12.221 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.708 11.202 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.061 12.100 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.968 13.185 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.908 14.170 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.598 13.299 6.758 1.00 0.00 H new ATOM 846 N VAL A 56 7.299 9.201 5.848 1.00 0.00 N ATOM 847 CA VAL A 56 8.371 9.012 6.818 1.00 0.00 C ATOM 848 C VAL A 56 9.467 8.112 6.257 1.00 0.00 C ATOM 849 O VAL A 56 10.590 8.097 6.759 1.00 0.00 O ATOM 850 CB VAL A 56 7.842 8.402 8.129 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.222 9.479 9.007 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.837 7.299 7.836 1.00 0.00 C ATOM 0 H VAL A 56 6.396 8.828 6.140 1.00 0.00 H new ATOM 0 HA VAL A 56 8.786 9.998 7.027 1.00 0.00 H new ATOM 0 HB VAL A 56 8.681 7.964 8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.854 9.029 9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.974 10.231 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.394 9.949 8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.474 6.879 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.999 7.711 7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.317 6.515 7.250 1.00 0.00 H new ATOM 862 N GLY A 57 9.131 7.361 5.212 1.00 0.00 N ATOM 863 CA GLY A 57 10.097 6.468 4.600 1.00 0.00 C ATOM 864 C GLY A 57 9.939 5.035 5.067 1.00 0.00 C ATOM 865 O GLY A 57 10.559 4.125 4.517 1.00 0.00 O ATOM 0 H GLY A 57 8.208 7.355 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.988 6.508 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.104 6.813 4.832 1.00 0.00 H new ATOM 869 N GLN A 58 9.107 4.834 6.084 1.00 0.00 N ATOM 870 CA GLN A 58 8.872 3.501 6.626 1.00 0.00 C ATOM 871 C GLN A 58 8.251 2.588 5.574 1.00 0.00 C ATOM 872 O GLN A 58 7.489 3.038 4.718 1.00 0.00 O ATOM 873 CB GLN A 58 7.961 3.579 7.852 1.00 0.00 C ATOM 874 CG GLN A 58 8.714 3.784 9.157 1.00 0.00 C ATOM 875 CD GLN A 58 7.872 3.456 10.374 1.00 0.00 C ATOM 876 OE1 GLN A 58 7.251 2.395 10.446 1.00 0.00 O ATOM 877 NE2 GLN A 58 7.846 4.367 11.340 1.00 0.00 N ATOM 0 H GLN A 58 8.585 5.577 6.549 1.00 0.00 H new ATOM 0 HA GLN A 58 9.834 3.082 6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.254 4.398 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.377 2.661 7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.607 3.159 9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.049 4.819 9.220 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.376 5.233 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.296 4.201 12.183 1.00 0.00 H new ATOM 886 N VAL A 59 8.582 1.302 5.643 1.00 0.00 N ATOM 887 CA VAL A 59 8.056 0.325 4.697 1.00 0.00 C ATOM 888 C VAL A 59 7.619 -0.950 5.410 1.00 0.00 C ATOM 889 O VAL A 59 8.393 -1.556 6.150 1.00 0.00 O ATOM 890 CB VAL A 59 9.099 -0.033 3.622 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.457 -0.837 2.502 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.755 1.227 3.077 1.00 0.00 C ATOM 0 H VAL A 59 9.212 0.913 6.344 1.00 0.00 H new ATOM 0 HA VAL A 59 7.192 0.783 4.216 1.00 0.00 H new ATOM 0 HB VAL A 59 9.872 -0.649 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.209 -1.081 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.038 -1.758 2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.663 -0.250 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.489 0.956 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.995 1.870 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.251 1.759 3.889 1.00 0.00 H new ATOM 902 N GLY A 60 6.373 -1.352 5.181 1.00 0.00 N ATOM 903 CA GLY A 60 5.854 -2.554 5.808 1.00 0.00 C ATOM 904 C GLY A 60 4.829 -3.262 4.945 1.00 0.00 C ATOM 905 O GLY A 60 4.720 -2.990 3.749 1.00 0.00 O ATOM 0 H GLY A 60 5.713 -0.867 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.679 -3.235 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.401 -2.294 6.765 1.00 0.00 H new ATOM 909 N TYR A 61 4.078 -4.175 5.550 1.00 0.00 N ATOM 910 CA TYR A 61 3.060 -4.929 4.827 1.00 0.00 C ATOM 911 C TYR A 61 1.661 -4.442 5.193 1.00 0.00 C ATOM 912 O TYR A 61 1.317 -4.330 6.369 1.00 0.00 O ATOM 913 CB TYR A 61 3.189 -6.422 5.132 1.00 0.00 C ATOM 914 CG TYR A 61 4.521 -7.010 4.726 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.061 -6.758 3.471 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.241 -7.817 5.599 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.278 -7.294 3.097 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.460 -8.356 5.234 1.00 0.00 C ATOM 919 CZ TYR A 61 6.974 -8.092 3.981 1.00 0.00 C ATOM 920 OH TYR A 61 8.187 -8.626 3.613 1.00 0.00 O ATOM 0 H TYR A 61 4.155 -4.411 6.539 1.00 0.00 H new ATOM 0 HA TYR A 61 3.214 -4.769 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.042 -6.580 6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.392 -6.959 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.520 -6.133 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.841 -8.027 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.683 -7.089 2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.007 -8.980 5.925 1.00 0.00 H new ATOM 0 HH TYR A 61 8.546 -9.162 4.351 1.00 0.00 H new ATOM 930 N VAL A 62 0.857 -4.155 4.174 1.00 0.00 N ATOM 931 CA VAL A 62 -0.506 -3.683 4.385 1.00 0.00 C ATOM 932 C VAL A 62 -1.473 -4.335 3.403 1.00 0.00 C ATOM 933 O VAL A 62 -1.102 -4.730 2.298 1.00 0.00 O ATOM 934 CB VAL A 62 -0.599 -2.152 4.239 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.106 -1.462 5.397 1.00 0.00 C ATOM 936 CG2 VAL A 62 -0.013 -1.708 2.907 1.00 0.00 C ATOM 0 H VAL A 62 1.126 -4.241 3.194 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.783 -3.962 5.402 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.650 -1.865 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.030 -0.381 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.363 -1.757 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.156 -1.753 5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.087 -0.624 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.034 -2.006 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.566 -2.176 2.092 1.00 0.00 H new ATOM 946 N PRO A 63 -2.744 -4.453 3.814 1.00 0.00 N ATOM 947 CA PRO A 63 -3.792 -5.056 2.985 1.00 0.00 C ATOM 948 C PRO A 63 -4.156 -4.186 1.787 1.00 0.00 C ATOM 949 O PRO A 63 -4.442 -2.999 1.936 1.00 0.00 O ATOM 950 CB PRO A 63 -4.980 -5.172 3.943 1.00 0.00 C ATOM 951 CG PRO A 63 -4.749 -4.111 4.963 1.00 0.00 C ATOM 952 CD PRO A 63 -3.257 -4.004 5.120 1.00 0.00 C ATOM 0 HA PRO A 63 -3.477 -6.008 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.925 -5.021 3.422 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.024 -6.160 4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.177 -3.161 4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.223 -4.370 5.910 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.949 -2.983 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.892 -4.632 5.933 1.00 0.00 H new ATOM 960 N GLU A 64 -4.144 -4.785 0.601 1.00 0.00 N ATOM 961 CA GLU A 64 -4.473 -4.063 -0.623 1.00 0.00 C ATOM 962 C GLU A 64 -5.895 -3.513 -0.563 1.00 0.00 C ATOM 963 O GLU A 64 -6.126 -2.328 -0.807 1.00 0.00 O ATOM 964 CB GLU A 64 -4.319 -4.978 -1.839 1.00 0.00 C ATOM 965 CG GLU A 64 -4.048 -4.230 -3.134 1.00 0.00 C ATOM 966 CD GLU A 64 -4.100 -5.133 -4.351 1.00 0.00 C ATOM 967 OE1 GLU A 64 -4.857 -6.126 -4.322 1.00 0.00 O ATOM 968 OE2 GLU A 64 -3.383 -4.846 -5.332 1.00 0.00 O ATOM 0 H GLU A 64 -3.910 -5.768 0.461 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.781 -3.226 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.503 -5.677 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.227 -5.570 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.780 -3.431 -3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.067 -3.758 -3.078 1.00 0.00 H new ATOM 975 N LYS A 65 -6.846 -4.381 -0.238 1.00 0.00 N ATOM 976 CA LYS A 65 -8.247 -3.985 -0.145 1.00 0.00 C ATOM 977 C LYS A 65 -8.381 -2.608 0.498 1.00 0.00 C ATOM 978 O LYS A 65 -9.157 -1.771 0.038 1.00 0.00 O ATOM 979 CB LYS A 65 -9.038 -5.016 0.662 1.00 0.00 C ATOM 980 CG LYS A 65 -8.492 -5.241 2.062 1.00 0.00 C ATOM 981 CD LYS A 65 -8.771 -6.654 2.548 1.00 0.00 C ATOM 982 CE LYS A 65 -10.157 -6.768 3.162 1.00 0.00 C ATOM 983 NZ LYS A 65 -10.257 -7.925 4.095 1.00 0.00 N ATOM 0 H LYS A 65 -6.672 -5.365 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.653 -3.936 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.076 -4.690 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.038 -5.964 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.417 -5.058 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.941 -4.524 2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.683 -7.351 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.021 -6.941 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.394 -5.848 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.898 -6.875 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.217 -7.968 4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.056 -8.805 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.568 -7.810 4.866 1.00 0.00 H new ATOM 997 N TYR A 66 -7.619 -2.381 1.562 1.00 0.00 N ATOM 998 CA TYR A 66 -7.654 -1.106 2.269 1.00 0.00 C ATOM 999 C TYR A 66 -7.149 0.024 1.378 1.00 0.00 C ATOM 1000 O TYR A 66 -7.669 1.140 1.416 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.810 -1.182 3.543 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.548 -1.774 4.723 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.781 -3.141 4.807 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -8.012 -0.965 5.753 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.455 -3.686 5.883 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.686 -1.501 6.834 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.905 -2.862 6.894 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.577 -3.400 7.968 1.00 0.00 O ATOM 0 H TYR A 66 -6.970 -3.063 1.954 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.689 -0.897 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.920 -1.780 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.469 -0.180 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.429 -3.789 4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.843 0.101 5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.629 -4.751 5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.039 -0.858 7.627 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.824 -2.685 8.591 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.132 -0.272 0.576 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.556 0.718 -0.326 1.00 0.00 C ATOM 1020 C LEU A 67 -6.450 0.931 -1.544 1.00 0.00 C ATOM 1021 O LEU A 67 -7.155 0.019 -1.974 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.161 0.278 -0.775 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.151 0.009 0.341 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.908 -0.669 -0.215 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.782 1.305 1.050 1.00 0.00 C ATOM 0 H LEU A 67 -5.690 -1.190 0.532 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.477 1.662 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.262 -0.628 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.752 1.047 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.611 -0.661 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.201 -0.852 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.186 -1.617 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.445 -0.024 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.062 1.095 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.342 1.999 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.678 1.750 1.483 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.413 2.141 -2.094 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.219 2.472 -3.263 1.00 0.00 C ATOM 1039 C GLN A 68 -6.336 2.716 -4.482 1.00 0.00 C ATOM 1040 O GLN A 68 -6.018 3.858 -4.813 1.00 0.00 O ATOM 1041 CB GLN A 68 -8.076 3.709 -2.984 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.971 4.104 -4.147 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.427 5.547 -4.069 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -8.706 6.412 -3.569 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -10.629 5.817 -4.563 1.00 0.00 N ATOM 0 H GLN A 68 -5.834 2.907 -1.749 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.872 1.625 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.696 3.521 -2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.422 4.546 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.435 3.947 -5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.844 3.452 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.193 5.070 -4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.988 6.771 -4.537 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.942 1.635 -5.147 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.093 1.731 -6.329 1.00 0.00 C ATOM 1056 C PHE A 69 -5.739 2.616 -7.391 1.00 0.00 C ATOM 1057 O PHE A 69 -6.953 2.822 -7.409 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.824 0.338 -6.904 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.737 -0.407 -6.184 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.802 -0.602 -4.814 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.650 -0.914 -6.878 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.804 -1.288 -4.148 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.649 -1.601 -6.218 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.725 -1.787 -4.851 1.00 0.00 C ATOM 0 H PHE A 69 -6.197 0.682 -4.887 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.147 2.182 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.743 -0.247 -6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.553 0.434 -7.955 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.643 -0.213 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.584 -0.771 -7.946 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.868 -1.434 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.808 -1.992 -6.770 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.942 -2.321 -4.333 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.909 3.152 -8.298 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.375 4.024 -9.380 1.00 0.00 C ATOM 1076 C PRO A 70 -6.186 3.266 -10.426 1.00 0.00 C ATOM 1077 O PRO A 70 -5.775 2.205 -10.896 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.077 4.556 -9.992 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.055 3.522 -9.669 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.451 2.949 -8.336 1.00 0.00 C ATOM 0 HA PRO A 70 -6.041 4.806 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.174 4.694 -11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.808 5.524 -9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.029 2.747 -10.435 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.058 3.960 -9.625 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.190 1.894 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.952 3.462 -7.514 1.00 0.00 H new ATOM 1088 N THR A 71 -7.340 3.818 -10.788 1.00 0.00 N ATOM 1089 CA THR A 71 -8.208 3.194 -11.778 1.00 0.00 C ATOM 1090 C THR A 71 -8.124 3.917 -13.117 1.00 0.00 C ATOM 1091 O THR A 71 -9.114 4.021 -13.841 1.00 0.00 O ATOM 1092 CB THR A 71 -9.675 3.177 -11.308 1.00 0.00 C ATOM 1093 OG1 THR A 71 -10.062 4.483 -10.864 1.00 0.00 O ATOM 1094 CG2 THR A 71 -9.871 2.174 -10.182 1.00 0.00 C ATOM 0 H THR A 71 -7.695 4.696 -10.410 1.00 0.00 H new ATOM 0 HA THR A 71 -7.861 2.168 -11.900 1.00 0.00 H new ATOM 0 HB THR A 71 -10.300 2.880 -12.150 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.996 4.465 -10.568 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.914 2.180 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.603 1.177 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.236 2.445 -9.339 1.00 0.00 H new ATOM 1102 N SER A 72 -6.935 4.416 -13.441 1.00 0.00 N ATOM 1103 CA SER A 72 -6.723 5.133 -14.693 1.00 0.00 C ATOM 1104 C SER A 72 -6.586 4.159 -15.860 1.00 0.00 C ATOM 1105 O SER A 72 -5.531 3.558 -16.061 1.00 0.00 O ATOM 1106 CB SER A 72 -5.473 6.010 -14.597 1.00 0.00 C ATOM 1107 OG SER A 72 -5.372 6.878 -15.713 1.00 0.00 O ATOM 0 H SER A 72 -6.104 4.337 -12.854 1.00 0.00 H new ATOM 0 HA SER A 72 -7.591 5.768 -14.872 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.506 6.596 -13.678 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.586 5.379 -14.541 1.00 0.00 H new ATOM 0 HG SER A 72 -4.566 7.429 -15.627 1.00 0.00 H new ATOM 1113 N SER A 73 -7.662 4.010 -16.627 1.00 0.00 N ATOM 1114 CA SER A 73 -7.664 3.108 -17.772 1.00 0.00 C ATOM 1115 C SER A 73 -8.749 3.500 -18.771 1.00 0.00 C ATOM 1116 O SER A 73 -9.937 3.493 -18.450 1.00 0.00 O ATOM 1117 CB SER A 73 -7.879 1.665 -17.311 1.00 0.00 C ATOM 1118 OG SER A 73 -7.338 0.745 -18.243 1.00 0.00 O ATOM 0 H SER A 73 -8.543 4.502 -16.476 1.00 0.00 H new ATOM 0 HA SER A 73 -6.695 3.185 -18.265 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.412 1.518 -16.337 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.945 1.475 -17.185 1.00 0.00 H new ATOM 0 HG SER A 73 -7.487 -0.170 -17.924 1.00 0.00 H new ATOM 1124 N GLY A 74 -8.330 3.844 -19.986 1.00 0.00 N ATOM 1125 CA GLY A 74 -9.277 4.235 -21.014 1.00 0.00 C ATOM 1126 C GLY A 74 -9.136 3.409 -22.276 1.00 0.00 C ATOM 1127 O GLY A 74 -8.473 3.808 -23.234 1.00 0.00 O ATOM 0 H GLY A 74 -7.352 3.859 -20.276 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.291 4.132 -20.628 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.133 5.288 -21.255 1.00 0.00 H new ATOM 1131 N PRO A 75 -9.769 2.226 -22.288 1.00 0.00 N ATOM 1132 CA PRO A 75 -9.725 1.316 -23.437 1.00 0.00 C ATOM 1133 C PRO A 75 -10.502 1.855 -24.633 1.00 0.00 C ATOM 1134 O PRO A 75 -11.732 1.824 -24.651 1.00 0.00 O ATOM 1135 CB PRO A 75 -10.380 0.040 -22.904 1.00 0.00 C ATOM 1136 CG PRO A 75 -11.268 0.503 -21.800 1.00 0.00 C ATOM 1137 CD PRO A 75 -10.576 1.687 -21.182 1.00 0.00 C ATOM 0 HA PRO A 75 -8.709 1.169 -23.802 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.949 -0.468 -23.683 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.633 -0.667 -22.542 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.251 0.780 -22.180 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.421 -0.287 -21.065 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -11.291 2.422 -20.811 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.954 1.393 -20.337 1.00 0.00 H new ATOM 1145 N SER A 76 -9.776 2.348 -25.631 1.00 0.00 N ATOM 1146 CA SER A 76 -10.398 2.897 -26.831 1.00 0.00 C ATOM 1147 C SER A 76 -10.299 1.913 -27.993 1.00 0.00 C ATOM 1148 O SER A 76 -9.659 0.867 -27.882 1.00 0.00 O ATOM 1149 CB SER A 76 -9.737 4.222 -27.213 1.00 0.00 C ATOM 1150 OG SER A 76 -10.637 5.055 -27.922 1.00 0.00 O ATOM 0 H SER A 76 -8.756 2.379 -25.633 1.00 0.00 H new ATOM 0 HA SER A 76 -11.452 3.074 -26.616 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.395 4.734 -26.314 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.856 4.029 -27.825 1.00 0.00 H new ATOM 0 HG SER A 76 -10.191 5.896 -28.153 1.00 0.00 H new ATOM 1156 N SER A 77 -10.937 2.256 -29.107 1.00 0.00 N ATOM 1157 CA SER A 77 -10.925 1.403 -30.289 1.00 0.00 C ATOM 1158 C SER A 77 -11.419 -0.001 -29.950 1.00 0.00 C ATOM 1159 O SER A 77 -10.932 -0.991 -30.495 1.00 0.00 O ATOM 1160 CB SER A 77 -9.515 1.331 -30.878 1.00 0.00 C ATOM 1161 OG SER A 77 -9.525 0.705 -32.149 1.00 0.00 O ATOM 0 H SER A 77 -11.469 3.119 -29.216 1.00 0.00 H new ATOM 0 HA SER A 77 -11.598 1.838 -31.028 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.103 2.336 -30.967 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.863 0.778 -30.202 1.00 0.00 H new ATOM 0 HG SER A 77 -9.975 -0.163 -32.083 1.00 0.00 H new ATOM 1167 N GLY A 78 -12.391 -0.077 -29.046 1.00 0.00 N ATOM 1168 CA GLY A 78 -12.936 -1.362 -28.650 1.00 0.00 C ATOM 1169 C GLY A 78 -14.300 -1.238 -28.000 1.00 0.00 C ATOM 1170 O GLY A 78 -14.553 -1.835 -26.953 1.00 0.00 O ATOM 0 H GLY A 78 -12.810 0.728 -28.581 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.012 -2.007 -29.526 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.249 -1.846 -27.956 1.00 0.00 H new TER 1174 GLY A 78