USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -0.758 X(o=-0.76,f=-0.61) USER MOD Single : A 15 SER OG : rot -58:sc= 0.0115 USER MOD Single : A 16 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.86) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= -0.15 (180deg=-1.21) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -4.26! C(o=-4.3!,f=-5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 178:sc= 0.0957 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 27 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.8) USER MOD Single : A 29 SER OG : rot 27:sc= 0.453 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.54) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc=-0.00856 K(o=-0.0086,f=-1.2) USER MOD Single : A 50 SER OG : rot 180:sc=-0.000687 USER MOD Single : A 52 GLN : amide:sc= -0.777 K(o=-0.78,f=-4.9!) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc=-0.00303 (180deg=-0.0949) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= -0.253 (180deg=-1.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0573) USER MOD Single : A 64 MET CE :methyl -157:sc= -1.77 (180deg=-4.16) USER MOD Single : A 66 THR OG1 : rot -150:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 140:sc= -2.72 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.155 10.787 11.132 1.00 0.00 N ATOM 60 CA GLY A 7 5.044 9.871 10.950 1.00 0.00 C ATOM 61 C GLY A 7 3.701 10.573 10.997 1.00 0.00 C ATOM 62 O GLY A 7 3.636 11.799 11.090 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.151 9.361 9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.078 9.105 11.725 1.00 0.00 H new ATOM 66 N LEU A 8 2.626 9.795 10.931 1.00 0.00 N ATOM 67 CA LEU A 8 1.277 10.349 10.965 1.00 0.00 C ATOM 68 C LEU A 8 0.306 9.378 11.628 1.00 0.00 C ATOM 69 O LEU A 8 0.510 8.163 11.602 1.00 0.00 O ATOM 70 CB LEU A 8 0.803 10.674 9.548 1.00 0.00 C ATOM 71 CG LEU A 8 0.832 9.517 8.548 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.269 9.680 7.511 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.193 9.429 7.874 1.00 0.00 C ATOM 0 H LEU A 8 2.662 8.779 10.854 1.00 0.00 H new ATOM 0 HA LEU A 8 1.302 11.267 11.553 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.218 11.052 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.421 11.482 9.156 1.00 0.00 H new ATOM 0 HG LEU A 8 0.657 8.588 9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.233 8.848 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.239 9.693 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.125 10.617 6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.195 8.600 7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.398 10.359 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.963 9.264 8.628 1.00 0.00 H new ATOM 85 N THR A 9 -0.752 9.920 12.222 1.00 0.00 N ATOM 86 CA THR A 9 -1.756 9.103 12.892 1.00 0.00 C ATOM 87 C THR A 9 -2.984 8.909 12.010 1.00 0.00 C ATOM 88 O THR A 9 -3.862 9.770 11.953 1.00 0.00 O ATOM 89 CB THR A 9 -2.192 9.731 14.229 1.00 0.00 C ATOM 90 OG1 THR A 9 -1.046 9.977 15.051 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.164 8.820 14.964 1.00 0.00 C ATOM 0 H THR A 9 -0.936 10.923 12.253 1.00 0.00 H new ATOM 0 HA THR A 9 -1.296 8.135 13.088 1.00 0.00 H new ATOM 0 HB THR A 9 -2.695 10.674 14.015 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.331 10.378 15.899 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.458 9.285 15.905 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.048 8.659 14.348 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.683 7.863 15.167 1.00 0.00 H new ATOM 99 N VAL A 10 -3.042 7.772 11.324 1.00 0.00 N ATOM 100 CA VAL A 10 -4.164 7.464 10.446 1.00 0.00 C ATOM 101 C VAL A 10 -4.835 6.156 10.851 1.00 0.00 C ATOM 102 O VAL A 10 -4.165 5.164 11.138 1.00 0.00 O ATOM 103 CB VAL A 10 -3.716 7.365 8.976 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.455 6.524 8.857 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.833 6.791 8.117 1.00 0.00 C ATOM 0 H VAL A 10 -2.324 7.048 11.360 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.878 8.282 10.546 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.489 8.368 8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.154 6.466 7.811 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.656 6.982 9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.650 5.520 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.500 6.728 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.093 5.795 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.708 7.438 8.178 1.00 0.00 H new ATOM 115 N THR A 11 -6.165 6.160 10.870 1.00 0.00 N ATOM 116 CA THR A 11 -6.928 4.975 11.239 1.00 0.00 C ATOM 117 C THR A 11 -7.160 4.073 10.033 1.00 0.00 C ATOM 118 O THR A 11 -7.242 4.544 8.899 1.00 0.00 O ATOM 119 CB THR A 11 -8.289 5.352 11.854 1.00 0.00 C ATOM 120 OG1 THR A 11 -8.092 6.035 13.097 1.00 0.00 O ATOM 121 CG2 THR A 11 -9.142 4.113 12.080 1.00 0.00 C ATOM 0 H THR A 11 -6.735 6.972 10.634 1.00 0.00 H new ATOM 0 HA THR A 11 -6.338 4.438 11.982 1.00 0.00 H new ATOM 0 HB THR A 11 -8.809 6.009 11.157 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.962 6.273 13.481 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.098 4.404 12.515 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.314 3.611 11.128 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.626 3.435 12.759 1.00 0.00 H new ATOM 129 N VAL A 12 -7.267 2.772 10.284 1.00 0.00 N ATOM 130 CA VAL A 12 -7.492 1.803 9.218 1.00 0.00 C ATOM 131 C VAL A 12 -8.751 0.983 9.478 1.00 0.00 C ATOM 132 O VAL A 12 -8.855 0.286 10.488 1.00 0.00 O ATOM 133 CB VAL A 12 -6.294 0.848 9.065 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.694 -0.389 8.276 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.127 1.561 8.398 1.00 0.00 C ATOM 0 H VAL A 12 -7.201 2.365 11.217 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.615 2.370 8.295 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.977 0.529 10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.834 -1.052 8.178 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.496 -0.910 8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.038 -0.093 7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.289 0.872 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.430 1.910 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.825 2.413 9.007 1.00 0.00 H new ATOM 145 N THR A 13 -9.708 1.070 8.559 1.00 0.00 N ATOM 146 CA THR A 13 -10.961 0.337 8.687 1.00 0.00 C ATOM 147 C THR A 13 -10.805 -1.105 8.220 1.00 0.00 C ATOM 148 O THR A 13 -10.839 -1.387 7.021 1.00 0.00 O ATOM 149 CB THR A 13 -12.089 1.007 7.881 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.062 2.424 8.085 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.447 0.457 8.290 1.00 0.00 C ATOM 0 H THR A 13 -9.639 1.642 7.717 1.00 0.00 H new ATOM 0 HA THR A 13 -11.226 0.346 9.744 1.00 0.00 H new ATOM 0 HB THR A 13 -11.929 0.789 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.781 2.843 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.228 0.945 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.475 -0.617 8.106 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.613 0.648 9.350 1.00 0.00 H new ATOM 159 N HIS A 14 -10.634 -2.016 9.172 1.00 0.00 N ATOM 160 CA HIS A 14 -10.473 -3.432 8.857 1.00 0.00 C ATOM 161 C HIS A 14 -11.442 -4.283 9.673 1.00 0.00 C ATOM 162 O HIS A 14 -11.802 -3.928 10.795 1.00 0.00 O ATOM 163 CB HIS A 14 -9.035 -3.876 9.125 1.00 0.00 C ATOM 164 CG HIS A 14 -8.697 -5.206 8.524 1.00 0.00 C ATOM 165 ND1 HIS A 14 -8.554 -6.355 9.273 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.477 -5.566 7.239 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.257 -7.364 8.474 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.205 -6.912 7.234 1.00 0.00 N ATOM 0 H HIS A 14 -10.603 -1.800 10.168 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.696 -3.571 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.352 -3.124 8.730 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.872 -3.921 10.202 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.661 -6.416 10.286 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.509 -4.916 6.377 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.086 -8.385 8.782 1.00 0.00 H new ATOM 177 N SER A 15 -11.860 -5.407 9.101 1.00 0.00 N ATOM 178 CA SER A 15 -12.790 -6.307 9.773 1.00 0.00 C ATOM 179 C SER A 15 -13.978 -5.536 10.340 1.00 0.00 C ATOM 180 O SER A 15 -14.374 -5.739 11.486 1.00 0.00 O ATOM 181 CB SER A 15 -12.078 -7.066 10.894 1.00 0.00 C ATOM 182 OG SER A 15 -12.796 -8.233 11.256 1.00 0.00 O ATOM 0 H SER A 15 -11.569 -5.717 8.174 1.00 0.00 H new ATOM 0 HA SER A 15 -13.160 -7.022 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.073 -7.339 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.969 -6.418 11.764 1.00 0.00 H new ATOM 0 HG SER A 15 -13.701 -7.986 11.539 1.00 0.00 H new ATOM 188 N ASN A 16 -14.542 -4.649 9.526 1.00 0.00 N ATOM 189 CA ASN A 16 -15.685 -3.845 9.946 1.00 0.00 C ATOM 190 C ASN A 16 -15.408 -3.162 11.281 1.00 0.00 C ATOM 191 O ASN A 16 -16.324 -2.921 12.067 1.00 0.00 O ATOM 192 CB ASN A 16 -16.936 -4.719 10.056 1.00 0.00 C ATOM 193 CG ASN A 16 -17.571 -4.993 8.707 1.00 0.00 C ATOM 194 OD1 ASN A 16 -17.604 -4.123 7.836 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.080 -6.206 8.528 1.00 0.00 N ATOM 0 H ASN A 16 -14.227 -4.469 8.573 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.853 -3.075 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.674 -5.665 10.530 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.663 -4.228 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.521 -6.448 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.030 -6.896 9.278 1.00 0.00 H new ATOM 202 N GLU A 17 -14.140 -2.853 11.530 1.00 0.00 N ATOM 203 CA GLU A 17 -13.743 -2.198 12.771 1.00 0.00 C ATOM 204 C GLU A 17 -12.741 -1.079 12.500 1.00 0.00 C ATOM 205 O GLU A 17 -12.265 -0.915 11.376 1.00 0.00 O ATOM 206 CB GLU A 17 -13.138 -3.215 13.741 1.00 0.00 C ATOM 207 CG GLU A 17 -14.160 -4.165 14.343 1.00 0.00 C ATOM 208 CD GLU A 17 -13.710 -4.740 15.672 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.583 -3.964 16.642 1.00 0.00 O ATOM 210 OE2 GLU A 17 -13.485 -5.966 15.741 1.00 0.00 O ATOM 0 H GLU A 17 -13.370 -3.045 10.889 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.635 -1.763 13.222 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.378 -3.796 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.633 -2.681 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.104 -3.638 14.481 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.349 -4.980 13.644 1.00 0.00 H new ATOM 217 N LYS A 18 -12.427 -0.310 13.537 1.00 0.00 N ATOM 218 CA LYS A 18 -11.482 0.793 13.413 1.00 0.00 C ATOM 219 C LYS A 18 -10.218 0.521 14.224 1.00 0.00 C ATOM 220 O LYS A 18 -10.287 0.208 15.413 1.00 0.00 O ATOM 221 CB LYS A 18 -12.128 2.100 13.879 1.00 0.00 C ATOM 222 CG LYS A 18 -13.013 2.749 12.829 1.00 0.00 C ATOM 223 CD LYS A 18 -13.107 4.252 13.030 1.00 0.00 C ATOM 224 CE LYS A 18 -14.004 4.601 14.208 1.00 0.00 C ATOM 225 NZ LYS A 18 -13.277 4.511 15.505 1.00 0.00 N ATOM 0 H LYS A 18 -12.814 -0.431 14.473 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.206 0.885 12.363 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.722 1.904 14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.344 2.801 14.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.616 2.538 11.836 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.011 2.312 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.110 4.661 13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.496 4.718 12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.395 5.610 14.080 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.861 3.927 14.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.602 5.269 16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.465 3.588 15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.256 4.613 15.338 1.00 0.00 H new ATOM 239 N HIS A 19 -9.066 0.644 13.573 1.00 0.00 N ATOM 240 CA HIS A 19 -7.786 0.413 14.235 1.00 0.00 C ATOM 241 C HIS A 19 -6.819 1.561 13.962 1.00 0.00 C ATOM 242 O HIS A 19 -6.312 1.707 12.849 1.00 0.00 O ATOM 243 CB HIS A 19 -7.176 -0.907 13.765 1.00 0.00 C ATOM 244 CG HIS A 19 -8.047 -2.097 14.028 1.00 0.00 C ATOM 245 ND1 HIS A 19 -8.293 -2.585 15.294 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.733 -2.897 13.178 1.00 0.00 C ATOM 247 CE1 HIS A 19 -9.092 -3.634 15.211 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.373 -3.844 13.938 1.00 0.00 N ATOM 0 H HIS A 19 -8.992 0.902 12.589 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.964 0.359 15.309 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.974 -0.844 12.696 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -6.217 -1.052 14.262 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.770 -2.807 12.102 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.454 -4.220 16.043 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.969 -4.589 13.578 1.00 0.00 H new ATOM 257 N ASP A 20 -6.567 2.372 14.983 1.00 0.00 N ATOM 258 CA ASP A 20 -5.660 3.506 14.853 1.00 0.00 C ATOM 259 C ASP A 20 -4.227 3.033 14.629 1.00 0.00 C ATOM 260 O ASP A 20 -3.699 2.230 15.399 1.00 0.00 O ATOM 261 CB ASP A 20 -5.730 4.388 16.101 1.00 0.00 C ATOM 262 CG ASP A 20 -5.629 3.586 17.383 1.00 0.00 C ATOM 263 OD1 ASP A 20 -6.644 2.979 17.784 1.00 0.00 O ATOM 264 OD2 ASP A 20 -4.536 3.565 17.987 1.00 0.00 O ATOM 0 H ASP A 20 -6.978 2.265 15.910 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.970 4.090 13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.924 5.121 16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.667 4.945 16.097 1.00 0.00 H new ATOM 269 N LEU A 21 -3.603 3.536 13.570 1.00 0.00 N ATOM 270 CA LEU A 21 -2.230 3.164 13.243 1.00 0.00 C ATOM 271 C LEU A 21 -1.353 4.402 13.089 1.00 0.00 C ATOM 272 O LEU A 21 -1.792 5.427 12.566 1.00 0.00 O ATOM 273 CB LEU A 21 -2.198 2.339 11.955 1.00 0.00 C ATOM 274 CG LEU A 21 -3.187 1.175 11.878 1.00 0.00 C ATOM 275 CD1 LEU A 21 -3.078 0.470 10.535 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.949 0.196 13.018 1.00 0.00 C ATOM 0 H LEU A 21 -4.025 4.202 12.923 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.837 2.563 14.063 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.388 3.007 11.115 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.191 1.943 11.826 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.197 1.574 11.974 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.789 -0.355 10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.300 1.176 9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.067 0.083 10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.662 -0.625 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.934 -0.197 12.954 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.080 0.709 13.971 1.00 0.00 H new ATOM 288 N HIS A 22 -0.109 4.300 13.546 1.00 0.00 N ATOM 289 CA HIS A 22 0.832 5.411 13.457 1.00 0.00 C ATOM 290 C HIS A 22 1.900 5.135 12.402 1.00 0.00 C ATOM 291 O HIS A 22 2.857 4.401 12.650 1.00 0.00 O ATOM 292 CB HIS A 22 1.491 5.659 14.814 1.00 0.00 C ATOM 293 CG HIS A 22 2.735 6.489 14.733 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.723 6.460 15.694 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.150 7.374 13.796 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.691 7.292 15.353 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.367 7.859 14.205 1.00 0.00 N ATOM 0 H HIS A 22 0.271 3.460 13.982 1.00 0.00 H new ATOM 0 HA HIS A 22 0.277 6.302 13.163 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.776 6.154 15.471 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.733 4.700 15.272 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.709 5.886 16.537 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.622 7.647 12.895 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.593 7.477 15.917 1.00 0.00 H new ATOM 306 N VAL A 23 1.729 5.727 11.225 1.00 0.00 N ATOM 307 CA VAL A 23 2.678 5.545 10.133 1.00 0.00 C ATOM 308 C VAL A 23 4.004 6.235 10.436 1.00 0.00 C ATOM 309 O VAL A 23 4.032 7.351 10.954 1.00 0.00 O ATOM 310 CB VAL A 23 2.119 6.093 8.806 1.00 0.00 C ATOM 311 CG1 VAL A 23 2.968 5.625 7.634 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.668 5.673 8.626 1.00 0.00 C ATOM 0 H VAL A 23 0.942 6.337 11.003 1.00 0.00 H new ATOM 0 HA VAL A 23 2.844 4.472 10.034 1.00 0.00 H new ATOM 0 HB VAL A 23 2.157 7.182 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.557 6.022 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.990 5.981 7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.966 4.536 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.289 6.069 7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.603 4.585 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.071 6.064 9.450 1.00 0.00 H new ATOM 322 N THR A 24 5.103 5.562 10.109 1.00 0.00 N ATOM 323 CA THR A 24 6.433 6.109 10.347 1.00 0.00 C ATOM 324 C THR A 24 7.384 5.753 9.210 1.00 0.00 C ATOM 325 O THR A 24 7.360 4.636 8.693 1.00 0.00 O ATOM 326 CB THR A 24 7.022 5.595 11.674 1.00 0.00 C ATOM 327 OG1 THR A 24 6.877 4.173 11.757 1.00 0.00 O ATOM 328 CG2 THR A 24 6.333 6.251 12.861 1.00 0.00 C ATOM 0 H THR A 24 5.098 4.637 9.679 1.00 0.00 H new ATOM 0 HA THR A 24 6.325 7.192 10.402 1.00 0.00 H new ATOM 0 HB THR A 24 8.081 5.853 11.700 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.256 3.854 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.765 5.873 13.787 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.471 7.331 12.811 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.268 6.020 12.837 1.00 0.00 H new ATOM 336 N SER A 25 8.223 6.710 8.826 1.00 0.00 N ATOM 337 CA SER A 25 9.181 6.499 7.747 1.00 0.00 C ATOM 338 C SER A 25 10.113 5.334 8.069 1.00 0.00 C ATOM 339 O SER A 25 10.089 4.794 9.175 1.00 0.00 O ATOM 340 CB SER A 25 9.999 7.769 7.507 1.00 0.00 C ATOM 341 OG SER A 25 10.690 7.705 6.271 1.00 0.00 O ATOM 0 H SER A 25 8.259 7.639 9.246 1.00 0.00 H new ATOM 0 HA SER A 25 8.624 6.258 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.339 8.637 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.713 7.905 8.320 1.00 0.00 H new ATOM 0 HG SER A 25 11.172 8.545 6.122 1.00 0.00 H new ATOM 347 N GLN A 26 10.932 4.953 7.095 1.00 0.00 N ATOM 348 CA GLN A 26 11.871 3.852 7.273 1.00 0.00 C ATOM 349 C GLN A 26 13.263 4.374 7.616 1.00 0.00 C ATOM 350 O GLN A 26 14.256 3.953 7.024 1.00 0.00 O ATOM 351 CB GLN A 26 11.932 2.995 6.008 1.00 0.00 C ATOM 352 CG GLN A 26 10.708 2.117 5.808 1.00 0.00 C ATOM 353 CD GLN A 26 10.740 0.868 6.666 1.00 0.00 C ATOM 354 OE1 GLN A 26 11.614 0.015 6.510 1.00 0.00 O ATOM 355 NE2 GLN A 26 9.783 0.752 7.580 1.00 0.00 N ATOM 0 H GLN A 26 10.965 5.390 6.174 1.00 0.00 H new ATOM 0 HA GLN A 26 11.518 3.238 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 26 12.046 3.648 5.142 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.819 2.363 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.811 2.691 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.638 1.831 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.078 1.483 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.753 -0.068 8.186 1.00 0.00 H new ATOM 364 N GLN A 27 13.326 5.293 8.574 1.00 0.00 N ATOM 365 CA GLN A 27 14.596 5.872 8.994 1.00 0.00 C ATOM 366 C GLN A 27 15.532 6.053 7.804 1.00 0.00 C ATOM 367 O GLN A 27 16.736 5.826 7.908 1.00 0.00 O ATOM 368 CB GLN A 27 15.260 4.987 10.050 1.00 0.00 C ATOM 369 CG GLN A 27 15.711 3.637 9.516 1.00 0.00 C ATOM 370 CD GLN A 27 14.636 2.574 9.633 1.00 0.00 C ATOM 371 OE1 GLN A 27 14.333 1.873 8.667 1.00 0.00 O ATOM 372 NE2 GLN A 27 14.054 2.449 10.820 1.00 0.00 N ATOM 0 H GLN A 27 12.513 5.652 9.074 1.00 0.00 H new ATOM 0 HA GLN A 27 14.394 6.852 9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 27 16.122 5.512 10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 27 14.561 4.829 10.871 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.000 3.742 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.598 3.313 10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.337 3.052 11.593 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.324 1.750 10.959 1.00 0.00 H new ATOM 381 N GLY A 28 14.968 6.464 6.671 1.00 0.00 N ATOM 382 CA GLY A 28 15.767 6.668 5.477 1.00 0.00 C ATOM 383 C GLY A 28 15.012 7.415 4.396 1.00 0.00 C ATOM 384 O GLY A 28 15.286 7.246 3.208 1.00 0.00 O ATOM 0 H GLY A 28 13.973 6.659 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.668 7.224 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.089 5.702 5.089 1.00 0.00 H new ATOM 388 N SER A 29 14.058 8.244 4.807 1.00 0.00 N ATOM 389 CA SER A 29 13.257 9.016 3.864 1.00 0.00 C ATOM 390 C SER A 29 12.715 10.282 4.521 1.00 0.00 C ATOM 391 O SER A 29 12.199 10.243 5.638 1.00 0.00 O ATOM 392 CB SER A 29 12.100 8.168 3.332 1.00 0.00 C ATOM 393 OG SER A 29 12.515 7.369 2.238 1.00 0.00 O ATOM 0 H SER A 29 13.821 8.398 5.787 1.00 0.00 H new ATOM 0 HA SER A 29 13.898 9.306 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.717 7.530 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.281 8.817 3.022 1.00 0.00 H new ATOM 0 HG SER A 29 13.474 7.184 2.313 1.00 0.00 H new ATOM 399 N SER A 30 12.836 11.404 3.819 1.00 0.00 N ATOM 400 CA SER A 30 12.362 12.683 4.334 1.00 0.00 C ATOM 401 C SER A 30 10.931 12.564 4.851 1.00 0.00 C ATOM 402 O SER A 30 10.579 13.151 5.873 1.00 0.00 O ATOM 403 CB SER A 30 12.435 13.754 3.244 1.00 0.00 C ATOM 404 OG SER A 30 12.555 15.049 3.809 1.00 0.00 O ATOM 0 H SER A 30 13.258 11.453 2.892 1.00 0.00 H new ATOM 0 HA SER A 30 13.006 12.974 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.287 13.557 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.541 13.706 2.622 1.00 0.00 H new ATOM 0 HG SER A 30 12.602 15.716 3.092 1.00 0.00 H new ATOM 410 N GLU A 31 10.112 11.800 4.135 1.00 0.00 N ATOM 411 CA GLU A 31 8.719 11.605 4.521 1.00 0.00 C ATOM 412 C GLU A 31 8.262 10.183 4.206 1.00 0.00 C ATOM 413 O GLU A 31 8.748 9.539 3.277 1.00 0.00 O ATOM 414 CB GLU A 31 7.821 12.612 3.800 1.00 0.00 C ATOM 415 CG GLU A 31 7.760 12.407 2.296 1.00 0.00 C ATOM 416 CD GLU A 31 6.669 13.229 1.639 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.838 14.461 1.528 1.00 0.00 O ATOM 418 OE2 GLU A 31 5.645 12.639 1.234 1.00 0.00 O ATOM 0 H GLU A 31 10.388 11.307 3.286 1.00 0.00 H new ATOM 0 HA GLU A 31 8.641 11.764 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.813 12.544 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.181 13.620 4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.722 12.671 1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.592 11.351 2.084 1.00 0.00 H new ATOM 425 N PRO A 32 7.304 9.681 5.000 1.00 0.00 N ATOM 426 CA PRO A 32 6.759 8.331 4.826 1.00 0.00 C ATOM 427 C PRO A 32 5.916 8.205 3.563 1.00 0.00 C ATOM 428 O PRO A 32 5.235 9.149 3.161 1.00 0.00 O ATOM 429 CB PRO A 32 5.890 8.137 6.071 1.00 0.00 C ATOM 430 CG PRO A 32 5.511 9.516 6.488 1.00 0.00 C ATOM 431 CD PRO A 32 6.678 10.393 6.127 1.00 0.00 C ATOM 0 HA PRO A 32 7.546 7.584 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.009 7.535 5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.438 7.622 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.605 9.843 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.307 9.558 7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.355 11.394 5.840 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.368 10.508 6.963 1.00 0.00 H new ATOM 439 N VAL A 33 5.964 7.031 2.939 1.00 0.00 N ATOM 440 CA VAL A 33 5.203 6.781 1.721 1.00 0.00 C ATOM 441 C VAL A 33 4.216 5.635 1.916 1.00 0.00 C ATOM 442 O VAL A 33 4.298 4.890 2.893 1.00 0.00 O ATOM 443 CB VAL A 33 6.131 6.448 0.538 1.00 0.00 C ATOM 444 CG1 VAL A 33 7.020 7.637 0.206 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.967 5.216 0.847 1.00 0.00 C ATOM 0 H VAL A 33 6.522 6.239 3.258 1.00 0.00 H new ATOM 0 HA VAL A 33 4.654 7.696 1.497 1.00 0.00 H new ATOM 0 HB VAL A 33 5.515 6.231 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.669 7.383 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.399 8.492 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.630 7.889 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.617 4.995 0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.575 5.402 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.309 4.367 1.030 1.00 0.00 H new ATOM 455 N VAL A 34 3.282 5.500 0.980 1.00 0.00 N ATOM 456 CA VAL A 34 2.279 4.444 1.047 1.00 0.00 C ATOM 457 C VAL A 34 2.905 3.117 1.461 1.00 0.00 C ATOM 458 O VAL A 34 2.313 2.352 2.221 1.00 0.00 O ATOM 459 CB VAL A 34 1.563 4.263 -0.305 1.00 0.00 C ATOM 460 CG1 VAL A 34 0.714 3.001 -0.294 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.715 5.484 -0.626 1.00 0.00 C ATOM 0 H VAL A 34 3.199 6.109 0.166 1.00 0.00 H new ATOM 0 HA VAL A 34 1.549 4.748 1.798 1.00 0.00 H new ATOM 0 HB VAL A 34 2.317 4.158 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.216 2.889 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.351 2.135 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.034 3.073 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.216 5.339 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.033 5.623 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.353 6.366 -0.679 1.00 0.00 H new ATOM 471 N GLN A 35 4.105 2.853 0.956 1.00 0.00 N ATOM 472 CA GLN A 35 4.811 1.617 1.273 1.00 0.00 C ATOM 473 C GLN A 35 4.877 1.400 2.781 1.00 0.00 C ATOM 474 O GLN A 35 4.715 0.279 3.264 1.00 0.00 O ATOM 475 CB GLN A 35 6.225 1.648 0.688 1.00 0.00 C ATOM 476 CG GLN A 35 6.796 0.268 0.405 1.00 0.00 C ATOM 477 CD GLN A 35 7.191 -0.471 1.668 1.00 0.00 C ATOM 478 OE1 GLN A 35 8.107 -0.061 2.380 1.00 0.00 O ATOM 479 NE2 GLN A 35 6.499 -1.568 1.952 1.00 0.00 N ATOM 0 H GLN A 35 4.609 3.477 0.326 1.00 0.00 H new ATOM 0 HA GLN A 35 4.259 0.789 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.214 2.224 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.885 2.170 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.059 -0.321 -0.140 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.668 0.366 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.747 -1.871 1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.719 -2.107 2.789 1.00 0.00 H new ATOM 488 N ASP A 36 5.116 2.478 3.519 1.00 0.00 N ATOM 489 CA ASP A 36 5.203 2.405 4.973 1.00 0.00 C ATOM 490 C ASP A 36 3.842 2.086 5.583 1.00 0.00 C ATOM 491 O ASP A 36 3.738 1.281 6.510 1.00 0.00 O ATOM 492 CB ASP A 36 5.734 3.722 5.541 1.00 0.00 C ATOM 493 CG ASP A 36 7.099 4.082 4.989 1.00 0.00 C ATOM 494 OD1 ASP A 36 7.849 3.157 4.614 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.419 5.288 4.933 1.00 0.00 O ATOM 0 H ASP A 36 5.253 3.413 3.135 1.00 0.00 H new ATOM 0 HA ASP A 36 5.894 1.603 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.030 4.523 5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.792 3.649 6.627 1.00 0.00 H new ATOM 500 N LEU A 37 2.800 2.722 5.059 1.00 0.00 N ATOM 501 CA LEU A 37 1.444 2.508 5.552 1.00 0.00 C ATOM 502 C LEU A 37 1.061 1.034 5.467 1.00 0.00 C ATOM 503 O LEU A 37 0.521 0.467 6.416 1.00 0.00 O ATOM 504 CB LEU A 37 0.450 3.352 4.754 1.00 0.00 C ATOM 505 CG LEU A 37 -0.960 2.777 4.616 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.647 2.717 5.972 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.780 3.605 3.637 1.00 0.00 C ATOM 0 H LEU A 37 2.868 3.391 4.292 1.00 0.00 H new ATOM 0 HA LEU A 37 1.412 2.814 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.376 4.332 5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.857 3.508 3.755 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.881 1.762 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.649 2.305 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.070 2.082 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.714 3.721 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.781 3.181 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.850 4.631 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.297 3.596 2.660 1.00 0.00 H new ATOM 519 N ALA A 38 1.345 0.419 4.323 1.00 0.00 N ATOM 520 CA ALA A 38 1.034 -0.990 4.116 1.00 0.00 C ATOM 521 C ALA A 38 1.753 -1.867 5.135 1.00 0.00 C ATOM 522 O ALA A 38 1.203 -2.861 5.608 1.00 0.00 O ATOM 523 CB ALA A 38 1.406 -1.409 2.701 1.00 0.00 C ATOM 0 H ALA A 38 1.790 0.874 3.526 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.039 -1.124 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.169 -2.463 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.843 -0.811 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.473 -1.253 2.544 1.00 0.00 H new ATOM 529 N GLN A 39 2.983 -1.492 5.469 1.00 0.00 N ATOM 530 CA GLN A 39 3.776 -2.246 6.432 1.00 0.00 C ATOM 531 C GLN A 39 3.195 -2.118 7.836 1.00 0.00 C ATOM 532 O GLN A 39 2.973 -3.116 8.521 1.00 0.00 O ATOM 533 CB GLN A 39 5.227 -1.760 6.422 1.00 0.00 C ATOM 534 CG GLN A 39 6.096 -2.461 5.390 1.00 0.00 C ATOM 535 CD GLN A 39 6.712 -3.741 5.918 1.00 0.00 C ATOM 536 OE1 GLN A 39 7.815 -3.733 6.465 1.00 0.00 O ATOM 537 NE2 GLN A 39 6.001 -4.851 5.757 1.00 0.00 N ATOM 0 H GLN A 39 3.452 -0.671 5.087 1.00 0.00 H new ATOM 0 HA GLN A 39 3.750 -3.296 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.241 -0.687 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.659 -1.911 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.496 -2.688 4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.889 -1.786 5.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.091 -4.812 5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.365 -5.743 6.093 1.00 0.00 H new ATOM 546 N VAL A 40 2.949 -0.882 8.259 1.00 0.00 N ATOM 547 CA VAL A 40 2.392 -0.623 9.581 1.00 0.00 C ATOM 548 C VAL A 40 1.196 -1.525 9.860 1.00 0.00 C ATOM 549 O VAL A 40 0.941 -1.901 11.004 1.00 0.00 O ATOM 550 CB VAL A 40 1.958 0.848 9.729 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.025 1.012 10.920 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.174 1.751 9.865 1.00 0.00 C ATOM 0 H VAL A 40 3.127 -0.044 7.705 1.00 0.00 H new ATOM 0 HA VAL A 40 3.180 -0.836 10.304 1.00 0.00 H new ATOM 0 HB VAL A 40 1.416 1.141 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.729 2.057 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.138 0.395 10.775 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.539 0.702 11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.849 2.786 9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.746 1.461 10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.800 1.654 8.978 1.00 0.00 H new ATOM 562 N VAL A 41 0.463 -1.870 8.806 1.00 0.00 N ATOM 563 CA VAL A 41 -0.707 -2.731 8.936 1.00 0.00 C ATOM 564 C VAL A 41 -0.299 -4.178 9.188 1.00 0.00 C ATOM 565 O VAL A 41 -0.669 -4.769 10.202 1.00 0.00 O ATOM 566 CB VAL A 41 -1.591 -2.670 7.677 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.742 -3.659 7.784 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.110 -1.257 7.459 1.00 0.00 C ATOM 0 H VAL A 41 0.659 -1.566 7.852 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.277 -2.364 9.789 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.985 -2.947 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.356 -3.602 6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.345 -4.669 7.889 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.351 -3.416 8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.733 -1.232 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.701 -0.949 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.269 -0.576 7.334 1.00 0.00 H new ATOM 578 N GLU A 42 0.466 -4.742 8.259 1.00 0.00 N ATOM 579 CA GLU A 42 0.923 -6.121 8.381 1.00 0.00 C ATOM 580 C GLU A 42 1.784 -6.301 9.629 1.00 0.00 C ATOM 581 O GLU A 42 2.003 -7.421 10.087 1.00 0.00 O ATOM 582 CB GLU A 42 1.716 -6.531 7.138 1.00 0.00 C ATOM 583 CG GLU A 42 2.138 -7.991 7.139 1.00 0.00 C ATOM 584 CD GLU A 42 3.058 -8.333 5.983 1.00 0.00 C ATOM 585 OE1 GLU A 42 3.197 -7.494 5.068 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.638 -9.439 5.993 1.00 0.00 O ATOM 0 H GLU A 42 0.782 -4.266 7.414 1.00 0.00 H new ATOM 0 HA GLU A 42 0.045 -6.761 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.112 -6.337 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.605 -5.905 7.062 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.641 -8.219 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.250 -8.622 7.091 1.00 0.00 H new ATOM 593 N GLU A 43 2.268 -5.188 10.172 1.00 0.00 N ATOM 594 CA GLU A 43 3.105 -5.222 11.365 1.00 0.00 C ATOM 595 C GLU A 43 2.264 -5.038 12.625 1.00 0.00 C ATOM 596 O GLU A 43 2.543 -5.636 13.664 1.00 0.00 O ATOM 597 CB GLU A 43 4.180 -4.136 11.292 1.00 0.00 C ATOM 598 CG GLU A 43 5.251 -4.409 10.250 1.00 0.00 C ATOM 599 CD GLU A 43 6.297 -5.395 10.731 1.00 0.00 C ATOM 600 OE1 GLU A 43 7.206 -4.978 11.479 1.00 0.00 O ATOM 601 OE2 GLU A 43 6.206 -6.585 10.362 1.00 0.00 O ATOM 0 H GLU A 43 2.095 -4.252 9.805 1.00 0.00 H new ATOM 0 HA GLU A 43 3.588 -6.198 11.411 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.705 -3.180 11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.652 -4.038 12.269 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.782 -4.796 9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.738 -3.472 9.981 1.00 0.00 H new ATOM 608 N VAL A 44 1.233 -4.205 12.525 1.00 0.00 N ATOM 609 CA VAL A 44 0.351 -3.941 13.655 1.00 0.00 C ATOM 610 C VAL A 44 -0.870 -4.853 13.624 1.00 0.00 C ATOM 611 O VAL A 44 -1.097 -5.635 14.548 1.00 0.00 O ATOM 612 CB VAL A 44 -0.119 -2.474 13.670 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.150 -2.254 14.766 1.00 0.00 C ATOM 614 CG2 VAL A 44 1.067 -1.537 13.846 1.00 0.00 C ATOM 0 H VAL A 44 0.988 -3.701 11.672 1.00 0.00 H new ATOM 0 HA VAL A 44 0.927 -4.140 14.559 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.590 -2.252 12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.470 -1.212 14.761 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.011 -2.899 14.590 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.709 -2.493 15.734 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.717 -0.505 13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.568 -1.758 14.788 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.766 -1.676 13.022 1.00 0.00 H new ATOM 624 N ILE A 45 -1.653 -4.748 12.556 1.00 0.00 N ATOM 625 CA ILE A 45 -2.851 -5.566 12.403 1.00 0.00 C ATOM 626 C ILE A 45 -2.501 -7.049 12.352 1.00 0.00 C ATOM 627 O ILE A 45 -2.966 -7.836 13.175 1.00 0.00 O ATOM 628 CB ILE A 45 -3.631 -5.190 11.130 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.908 -3.685 11.101 1.00 0.00 C ATOM 630 CG2 ILE A 45 -4.932 -5.975 11.055 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.810 -3.259 9.964 1.00 0.00 C ATOM 0 H ILE A 45 -1.480 -4.105 11.784 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.478 -5.373 13.273 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.024 -5.446 10.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.364 -3.389 12.046 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.961 -3.151 11.023 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.472 -5.698 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.712 -7.042 11.034 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.545 -5.748 11.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.963 -2.181 10.005 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.347 -3.523 9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.771 -3.766 10.053 1.00 0.00 H new ATOM 643 N GLY A 46 -1.675 -7.424 11.379 1.00 0.00 N ATOM 644 CA GLY A 46 -1.275 -8.812 11.240 1.00 0.00 C ATOM 645 C GLY A 46 -1.674 -9.398 9.900 1.00 0.00 C ATOM 646 O GLY A 46 -1.576 -10.607 9.689 1.00 0.00 O ATOM 0 H GLY A 46 -1.276 -6.791 10.685 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.194 -8.889 11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.727 -9.399 12.039 1.00 0.00 H new ATOM 650 N VAL A 47 -2.127 -8.540 8.991 1.00 0.00 N ATOM 651 CA VAL A 47 -2.543 -8.980 7.665 1.00 0.00 C ATOM 652 C VAL A 47 -1.496 -8.626 6.615 1.00 0.00 C ATOM 653 O VAL A 47 -1.016 -7.495 6.537 1.00 0.00 O ATOM 654 CB VAL A 47 -3.890 -8.351 7.262 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.162 -8.572 5.782 1.00 0.00 C ATOM 656 CG2 VAL A 47 -5.018 -8.920 8.110 1.00 0.00 C ATOM 0 H VAL A 47 -2.215 -7.536 9.149 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.655 -10.063 7.712 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.837 -7.277 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.118 -8.121 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.368 -8.113 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.196 -9.641 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.962 -8.465 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.074 -9.999 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.827 -8.705 9.161 1.00 0.00 H new ATOM 666 N PRO A 48 -1.131 -9.616 5.786 1.00 0.00 N ATOM 667 CA PRO A 48 -0.137 -9.434 4.725 1.00 0.00 C ATOM 668 C PRO A 48 -0.651 -8.545 3.596 1.00 0.00 C ATOM 669 O PRO A 48 -1.857 -8.443 3.376 1.00 0.00 O ATOM 670 CB PRO A 48 0.104 -10.857 4.217 1.00 0.00 C ATOM 671 CG PRO A 48 -1.148 -11.594 4.545 1.00 0.00 C ATOM 672 CD PRO A 48 -1.662 -10.989 5.822 1.00 0.00 C ATOM 0 HA PRO A 48 0.763 -8.939 5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.300 -10.867 3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.968 -11.310 4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.880 -11.495 3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.953 -12.659 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.751 -10.998 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.307 -11.534 6.697 1.00 0.00 H new ATOM 680 N GLN A 49 0.273 -7.906 2.886 1.00 0.00 N ATOM 681 CA GLN A 49 -0.088 -7.027 1.780 1.00 0.00 C ATOM 682 C GLN A 49 -0.850 -7.791 0.703 1.00 0.00 C ATOM 683 O GLN A 49 -1.426 -7.193 -0.206 1.00 0.00 O ATOM 684 CB GLN A 49 1.165 -6.389 1.178 1.00 0.00 C ATOM 685 CG GLN A 49 2.001 -5.619 2.189 1.00 0.00 C ATOM 686 CD GLN A 49 3.103 -4.807 1.537 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.154 -4.678 0.314 1.00 0.00 O ATOM 688 NE2 GLN A 49 3.993 -4.255 2.353 1.00 0.00 N ATOM 0 H GLN A 49 1.276 -7.980 3.057 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.736 -6.242 2.170 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.780 -7.169 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.869 -5.714 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.353 -4.953 2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.442 -6.319 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.912 -4.388 3.361 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.758 -3.698 1.972 1.00 0.00 H new ATOM 697 N SER A 50 -0.850 -9.116 0.812 1.00 0.00 N ATOM 698 CA SER A 50 -1.539 -9.962 -0.155 1.00 0.00 C ATOM 699 C SER A 50 -2.960 -10.269 0.306 1.00 0.00 C ATOM 700 O SER A 50 -3.754 -10.851 -0.434 1.00 0.00 O ATOM 701 CB SER A 50 -0.766 -11.266 -0.365 1.00 0.00 C ATOM 702 OG SER A 50 -0.055 -11.631 0.805 1.00 0.00 O ATOM 0 H SER A 50 -0.381 -9.626 1.560 1.00 0.00 H new ATOM 0 HA SER A 50 -1.591 -9.422 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.458 -12.063 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.070 -11.150 -1.196 1.00 0.00 H new ATOM 0 HG SER A 50 0.429 -12.468 0.646 1.00 0.00 H new ATOM 708 N PHE A 51 -3.275 -9.874 1.535 1.00 0.00 N ATOM 709 CA PHE A 51 -4.600 -10.106 2.097 1.00 0.00 C ATOM 710 C PHE A 51 -5.279 -8.787 2.454 1.00 0.00 C ATOM 711 O PHE A 51 -6.474 -8.752 2.746 1.00 0.00 O ATOM 712 CB PHE A 51 -4.502 -10.994 3.340 1.00 0.00 C ATOM 713 CG PHE A 51 -4.270 -12.444 3.023 1.00 0.00 C ATOM 714 CD1 PHE A 51 -3.224 -12.828 2.200 1.00 0.00 C ATOM 715 CD2 PHE A 51 -5.098 -13.422 3.549 1.00 0.00 C ATOM 716 CE1 PHE A 51 -3.007 -14.162 1.907 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.886 -14.757 3.261 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.840 -15.127 2.438 1.00 0.00 C ATOM 0 H PHE A 51 -2.630 -9.391 2.161 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.203 -10.612 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.690 -10.634 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.421 -10.899 3.918 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.570 -12.077 1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.918 -13.138 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.188 -14.449 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.537 -15.510 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.674 -16.170 2.210 1.00 0.00 H new ATOM 728 N GLN A 52 -4.508 -7.705 2.427 1.00 0.00 N ATOM 729 CA GLN A 52 -5.034 -6.384 2.749 1.00 0.00 C ATOM 730 C GLN A 52 -5.097 -5.506 1.504 1.00 0.00 C ATOM 731 O GLN A 52 -4.232 -5.584 0.631 1.00 0.00 O ATOM 732 CB GLN A 52 -4.169 -5.713 3.817 1.00 0.00 C ATOM 733 CG GLN A 52 -2.747 -5.430 3.360 1.00 0.00 C ATOM 734 CD GLN A 52 -2.150 -4.211 4.033 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.725 -3.123 3.998 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.988 -4.386 4.653 1.00 0.00 N ATOM 0 H GLN A 52 -3.517 -7.717 2.185 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.045 -6.508 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.638 -4.776 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.138 -6.351 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.122 -6.298 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.739 -5.285 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.546 -5.305 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.538 -3.601 5.124 1.00 0.00 H new ATOM 745 N LYS A 53 -6.127 -4.669 1.427 1.00 0.00 N ATOM 746 CA LYS A 53 -6.304 -3.775 0.290 1.00 0.00 C ATOM 747 C LYS A 53 -6.638 -2.361 0.756 1.00 0.00 C ATOM 748 O LYS A 53 -7.695 -2.123 1.341 1.00 0.00 O ATOM 749 CB LYS A 53 -7.413 -4.295 -0.628 1.00 0.00 C ATOM 750 CG LYS A 53 -7.574 -3.490 -1.905 1.00 0.00 C ATOM 751 CD LYS A 53 -8.865 -3.840 -2.626 1.00 0.00 C ATOM 752 CE LYS A 53 -8.857 -5.279 -3.116 1.00 0.00 C ATOM 753 NZ LYS A 53 -7.877 -5.484 -4.219 1.00 0.00 N ATOM 0 H LYS A 53 -6.852 -4.592 2.140 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.366 -3.745 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.202 -5.333 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.357 -4.288 -0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.565 -2.426 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.726 -3.677 -2.564 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.710 -3.688 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.004 -3.167 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.615 -5.944 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.855 -5.551 -3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.030 -6.418 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.006 -4.745 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.910 -5.432 -3.839 1.00 0.00 H new ATOM 767 N LEU A 54 -5.731 -1.427 0.493 1.00 0.00 N ATOM 768 CA LEU A 54 -5.930 -0.036 0.884 1.00 0.00 C ATOM 769 C LEU A 54 -6.877 0.671 -0.080 1.00 0.00 C ATOM 770 O LEU A 54 -6.803 0.476 -1.293 1.00 0.00 O ATOM 771 CB LEU A 54 -4.588 0.699 0.929 1.00 0.00 C ATOM 772 CG LEU A 54 -3.872 0.706 2.280 1.00 0.00 C ATOM 773 CD1 LEU A 54 -4.791 1.240 3.368 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.382 -0.691 2.632 1.00 0.00 C ATOM 0 H LEU A 54 -4.851 -1.608 0.011 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.378 -0.025 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.925 0.248 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.752 1.732 0.622 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.007 1.365 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.265 1.238 4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.092 2.258 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.676 0.607 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.875 -0.666 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.232 -1.372 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.688 -1.037 1.866 1.00 0.00 H new ATOM 786 N ILE A 55 -7.765 1.493 0.468 1.00 0.00 N ATOM 787 CA ILE A 55 -8.725 2.231 -0.343 1.00 0.00 C ATOM 788 C ILE A 55 -9.002 3.609 0.250 1.00 0.00 C ATOM 789 O ILE A 55 -9.553 3.725 1.345 1.00 0.00 O ATOM 790 CB ILE A 55 -10.054 1.466 -0.479 1.00 0.00 C ATOM 791 CG1 ILE A 55 -9.789 -0.011 -0.777 1.00 0.00 C ATOM 792 CG2 ILE A 55 -10.914 2.087 -1.570 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.005 -0.893 -0.592 1.00 0.00 C ATOM 0 H ILE A 55 -7.840 1.665 1.471 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.280 2.346 -1.331 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.594 1.535 0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.432 -0.108 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.990 -0.367 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.850 1.535 -1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.127 3.126 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.382 2.046 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.743 -1.926 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.350 -0.826 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.799 -0.563 -1.262 1.00 0.00 H new ATOM 805 N PHE A 56 -8.619 4.650 -0.481 1.00 0.00 N ATOM 806 CA PHE A 56 -8.827 6.020 -0.028 1.00 0.00 C ATOM 807 C PHE A 56 -9.728 6.782 -0.995 1.00 0.00 C ATOM 808 O PHE A 56 -9.443 6.869 -2.190 1.00 0.00 O ATOM 809 CB PHE A 56 -7.485 6.742 0.114 1.00 0.00 C ATOM 810 CG PHE A 56 -7.596 8.091 0.766 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.201 8.228 2.005 1.00 0.00 C ATOM 812 CD2 PHE A 56 -7.096 9.221 0.140 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.305 9.467 2.607 1.00 0.00 C ATOM 814 CE2 PHE A 56 -7.197 10.463 0.738 1.00 0.00 C ATOM 815 CZ PHE A 56 -7.801 10.586 1.974 1.00 0.00 C ATOM 0 H PHE A 56 -8.163 4.571 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.317 5.984 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.807 6.120 0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.039 6.860 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.596 7.356 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.622 9.131 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.780 9.560 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.804 11.337 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.879 11.555 2.444 1.00 0.00 H new ATOM 825 N LYS A 57 -10.818 7.333 -0.471 1.00 0.00 N ATOM 826 CA LYS A 57 -11.762 8.088 -1.286 1.00 0.00 C ATOM 827 C LYS A 57 -12.333 7.220 -2.402 1.00 0.00 C ATOM 828 O LYS A 57 -12.404 7.642 -3.555 1.00 0.00 O ATOM 829 CB LYS A 57 -11.079 9.321 -1.882 1.00 0.00 C ATOM 830 CG LYS A 57 -11.180 10.557 -1.005 1.00 0.00 C ATOM 831 CD LYS A 57 -10.572 10.318 0.367 1.00 0.00 C ATOM 832 CE LYS A 57 -10.955 11.417 1.345 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.315 11.204 1.915 1.00 0.00 N ATOM 0 H LYS A 57 -11.069 7.271 0.516 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.583 8.409 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.027 9.095 -2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.523 9.538 -2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.671 11.391 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.226 10.842 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.906 9.354 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.487 10.268 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.224 11.455 2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.920 12.382 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.539 11.974 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.016 11.193 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.341 10.295 2.420 1.00 0.00 H new ATOM 847 N GLY A 58 -12.741 6.004 -2.050 1.00 0.00 N ATOM 848 CA GLY A 58 -13.303 5.097 -3.034 1.00 0.00 C ATOM 849 C GLY A 58 -12.311 4.735 -4.122 1.00 0.00 C ATOM 850 O GLY A 58 -12.693 4.507 -5.270 1.00 0.00 O ATOM 0 H GLY A 58 -12.692 5.631 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.639 4.188 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.182 5.556 -3.486 1.00 0.00 H new ATOM 854 N LYS A 59 -11.033 4.684 -3.762 1.00 0.00 N ATOM 855 CA LYS A 59 -9.982 4.348 -4.715 1.00 0.00 C ATOM 856 C LYS A 59 -8.913 3.478 -4.062 1.00 0.00 C ATOM 857 O LYS A 59 -8.362 3.832 -3.020 1.00 0.00 O ATOM 858 CB LYS A 59 -9.345 5.623 -5.274 1.00 0.00 C ATOM 859 CG LYS A 59 -10.155 6.271 -6.383 1.00 0.00 C ATOM 860 CD LYS A 59 -9.300 7.202 -7.227 1.00 0.00 C ATOM 861 CE LYS A 59 -8.651 6.464 -8.388 1.00 0.00 C ATOM 862 NZ LYS A 59 -7.385 5.793 -7.981 1.00 0.00 N ATOM 0 H LYS A 59 -10.700 4.871 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.434 3.786 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.216 6.340 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.350 5.387 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.588 5.498 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.985 6.830 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.916 8.016 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.528 7.653 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.346 5.721 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.446 7.167 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.758 5.705 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.913 6.358 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.599 4.847 -7.606 1.00 0.00 H new ATOM 876 N SER A 60 -8.625 2.338 -4.682 1.00 0.00 N ATOM 877 CA SER A 60 -7.623 1.415 -4.159 1.00 0.00 C ATOM 878 C SER A 60 -6.222 2.004 -4.290 1.00 0.00 C ATOM 879 O SER A 60 -5.862 2.556 -5.330 1.00 0.00 O ATOM 880 CB SER A 60 -7.697 0.077 -4.897 1.00 0.00 C ATOM 881 OG SER A 60 -6.728 -0.831 -4.403 1.00 0.00 O ATOM 0 H SER A 60 -9.071 2.031 -5.547 1.00 0.00 H new ATOM 0 HA SER A 60 -7.832 1.251 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.693 -0.351 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.540 0.237 -5.964 1.00 0.00 H new ATOM 0 HG SER A 60 -6.796 -1.679 -4.889 1.00 0.00 H new ATOM 887 N LEU A 61 -5.435 1.883 -3.226 1.00 0.00 N ATOM 888 CA LEU A 61 -4.072 2.403 -3.220 1.00 0.00 C ATOM 889 C LEU A 61 -3.059 1.276 -3.391 1.00 0.00 C ATOM 890 O LEU A 61 -2.653 0.638 -2.420 1.00 0.00 O ATOM 891 CB LEU A 61 -3.799 3.156 -1.917 1.00 0.00 C ATOM 892 CG LEU A 61 -4.829 4.216 -1.525 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.552 4.737 -0.123 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.828 5.358 -2.531 1.00 0.00 C ATOM 0 H LEU A 61 -5.717 1.430 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.968 3.091 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.730 2.429 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.824 3.637 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.817 3.755 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.295 5.490 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.605 3.913 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.557 5.182 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.567 6.103 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.840 5.818 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.076 4.972 -3.520 1.00 0.00 H new ATOM 906 N LYS A 62 -2.651 1.038 -4.633 1.00 0.00 N ATOM 907 CA LYS A 62 -1.682 -0.009 -4.934 1.00 0.00 C ATOM 908 C LYS A 62 -0.257 0.528 -4.849 1.00 0.00 C ATOM 909 O LYS A 62 0.628 -0.121 -4.292 1.00 0.00 O ATOM 910 CB LYS A 62 -1.940 -0.586 -6.328 1.00 0.00 C ATOM 911 CG LYS A 62 -2.416 0.446 -7.335 1.00 0.00 C ATOM 912 CD LYS A 62 -3.925 0.620 -7.283 1.00 0.00 C ATOM 913 CE LYS A 62 -4.341 2.013 -7.729 1.00 0.00 C ATOM 914 NZ LYS A 62 -3.843 2.330 -9.096 1.00 0.00 N ATOM 0 H LYS A 62 -2.977 1.557 -5.448 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.797 -0.800 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.023 -1.046 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.685 -1.378 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.931 1.402 -7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.118 0.141 -8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.400 -0.125 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.278 0.441 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.428 2.090 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.958 2.750 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.284 3.210 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.810 2.448 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.087 1.553 -9.743 1.00 0.00 H new ATOM 928 N GLU A 63 -0.044 1.716 -5.405 1.00 0.00 N ATOM 929 CA GLU A 63 1.275 2.340 -5.390 1.00 0.00 C ATOM 930 C GLU A 63 1.830 2.407 -3.971 1.00 0.00 C ATOM 931 O GLU A 63 1.098 2.682 -3.020 1.00 0.00 O ATOM 932 CB GLU A 63 1.205 3.746 -5.989 1.00 0.00 C ATOM 933 CG GLU A 63 -0.142 4.422 -5.799 1.00 0.00 C ATOM 934 CD GLU A 63 -0.044 5.935 -5.820 1.00 0.00 C ATOM 935 OE1 GLU A 63 -0.118 6.519 -6.922 1.00 0.00 O ATOM 936 OE2 GLU A 63 0.108 6.536 -4.736 1.00 0.00 O ATOM 0 H GLU A 63 -0.766 2.266 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 63 1.945 1.728 -5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.980 4.364 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.426 3.689 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.822 4.095 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.574 4.103 -4.850 1.00 0.00 H new ATOM 943 N MET A 64 3.127 2.152 -3.836 1.00 0.00 N ATOM 944 CA MET A 64 3.781 2.184 -2.533 1.00 0.00 C ATOM 945 C MET A 64 4.883 3.238 -2.503 1.00 0.00 C ATOM 946 O MET A 64 5.102 3.890 -1.482 1.00 0.00 O ATOM 947 CB MET A 64 4.364 0.810 -2.197 1.00 0.00 C ATOM 948 CG MET A 64 3.372 -0.329 -2.367 1.00 0.00 C ATOM 949 SD MET A 64 2.452 -0.679 -0.856 1.00 0.00 S ATOM 950 CE MET A 64 0.804 -0.165 -1.337 1.00 0.00 C ATOM 0 H MET A 64 3.746 1.921 -4.613 1.00 0.00 H new ATOM 0 HA MET A 64 3.032 2.446 -1.785 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.229 0.626 -2.834 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.722 0.818 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.672 -0.080 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.905 -1.227 -2.679 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.222 0.071 -0.446 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.869 0.718 -1.973 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.317 -0.971 -1.885 1.00 0.00 H new ATOM 960 N GLU A 65 5.572 3.400 -3.628 1.00 0.00 N ATOM 961 CA GLU A 65 6.651 4.375 -3.729 1.00 0.00 C ATOM 962 C GLU A 65 6.101 5.798 -3.734 1.00 0.00 C ATOM 963 O GLU A 65 6.856 6.769 -3.670 1.00 0.00 O ATOM 964 CB GLU A 65 7.474 4.130 -4.996 1.00 0.00 C ATOM 965 CG GLU A 65 8.242 2.819 -4.978 1.00 0.00 C ATOM 966 CD GLU A 65 9.366 2.816 -3.960 1.00 0.00 C ATOM 967 OE1 GLU A 65 10.337 3.579 -4.145 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.274 2.050 -2.978 1.00 0.00 O ATOM 0 H GLU A 65 5.402 2.869 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 65 7.295 4.256 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.808 4.140 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.178 4.952 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.555 2.002 -4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.654 2.630 -5.969 1.00 0.00 H new ATOM 975 N THR A 66 4.779 5.915 -3.811 1.00 0.00 N ATOM 976 CA THR A 66 4.126 7.218 -3.826 1.00 0.00 C ATOM 977 C THR A 66 3.982 7.777 -2.416 1.00 0.00 C ATOM 978 O THR A 66 3.547 7.091 -1.491 1.00 0.00 O ATOM 979 CB THR A 66 2.733 7.140 -4.480 1.00 0.00 C ATOM 980 OG1 THR A 66 2.862 7.126 -5.906 1.00 0.00 O ATOM 981 CG2 THR A 66 1.870 8.319 -4.056 1.00 0.00 C ATOM 0 H THR A 66 4.139 5.122 -3.864 1.00 0.00 H new ATOM 0 HA THR A 66 4.759 7.882 -4.414 1.00 0.00 H new ATOM 0 HB THR A 66 2.251 6.220 -4.150 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.072 7.542 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.891 8.243 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.750 8.311 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.349 9.249 -4.361 1.00 0.00 H new ATOM 989 N PRO A 67 4.355 9.054 -2.244 1.00 0.00 N ATOM 990 CA PRO A 67 4.275 9.735 -0.948 1.00 0.00 C ATOM 991 C PRO A 67 2.836 9.995 -0.518 1.00 0.00 C ATOM 992 O PRO A 67 2.030 10.514 -1.291 1.00 0.00 O ATOM 993 CB PRO A 67 5.006 11.057 -1.196 1.00 0.00 C ATOM 994 CG PRO A 67 4.876 11.292 -2.661 1.00 0.00 C ATOM 995 CD PRO A 67 4.883 9.932 -3.302 1.00 0.00 C ATOM 0 HA PRO A 67 4.708 9.137 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.559 11.870 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.052 10.993 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.954 11.826 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.699 11.903 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.259 9.905 -4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.887 9.636 -3.606 1.00 0.00 H new ATOM 1003 N LEU A 68 2.519 9.632 0.720 1.00 0.00 N ATOM 1004 CA LEU A 68 1.175 9.826 1.254 1.00 0.00 C ATOM 1005 C LEU A 68 0.713 11.266 1.055 1.00 0.00 C ATOM 1006 O LEU A 68 -0.484 11.552 1.065 1.00 0.00 O ATOM 1007 CB LEU A 68 1.139 9.468 2.741 1.00 0.00 C ATOM 1008 CG LEU A 68 1.495 8.023 3.092 1.00 0.00 C ATOM 1009 CD1 LEU A 68 2.132 7.950 4.471 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.258 7.139 3.027 1.00 0.00 C ATOM 0 H LEU A 68 3.174 9.202 1.373 1.00 0.00 H new ATOM 0 HA LEU A 68 0.497 9.168 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.825 10.129 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.139 9.677 3.121 1.00 0.00 H new ATOM 0 HG LEU A 68 2.217 7.659 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.379 6.914 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.041 8.551 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.433 8.333 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.530 6.114 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.486 7.502 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.156 7.167 2.019 1.00 0.00 H new ATOM 1022 N SER A 69 1.671 12.170 0.872 1.00 0.00 N ATOM 1023 CA SER A 69 1.363 13.581 0.672 1.00 0.00 C ATOM 1024 C SER A 69 0.725 13.809 -0.695 1.00 0.00 C ATOM 1025 O SER A 69 -0.144 14.666 -0.852 1.00 0.00 O ATOM 1026 CB SER A 69 2.632 14.425 0.802 1.00 0.00 C ATOM 1027 OG SER A 69 2.317 15.782 1.061 1.00 0.00 O ATOM 0 H SER A 69 2.667 11.950 0.858 1.00 0.00 H new ATOM 0 HA SER A 69 0.653 13.885 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.253 14.032 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.216 14.353 -0.115 1.00 0.00 H new ATOM 0 HG SER A 69 3.145 16.300 1.141 1.00 0.00 H new ATOM 1033 N ALA A 70 1.164 13.034 -1.682 1.00 0.00 N ATOM 1034 CA ALA A 70 0.635 13.149 -3.036 1.00 0.00 C ATOM 1035 C ALA A 70 -0.824 12.709 -3.095 1.00 0.00 C ATOM 1036 O ALA A 70 -1.651 13.351 -3.743 1.00 0.00 O ATOM 1037 CB ALA A 70 1.476 12.328 -4.002 1.00 0.00 C ATOM 0 H ALA A 70 1.884 12.320 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 70 0.683 14.197 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.070 12.423 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.504 12.691 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.458 11.281 -3.701 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.133 11.610 -2.415 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.493 11.083 -2.391 1.00 0.00 C ATOM 1045 C LEU A 71 -3.417 11.997 -1.593 1.00 0.00 C ATOM 1046 O LEU A 71 -4.640 11.893 -1.684 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.505 9.676 -1.790 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.700 8.617 -2.544 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.345 7.460 -1.622 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.477 8.119 -3.754 1.00 0.00 C ATOM 0 H LEU A 71 -0.461 11.067 -1.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.857 11.036 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.124 9.735 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.540 9.339 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.774 9.072 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.772 6.716 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.749 7.829 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.259 7.004 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.889 7.366 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.419 7.680 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.680 8.954 -4.425 1.00 0.00 H new ATOM 1062 N GLY A 72 -2.824 12.895 -0.813 1.00 0.00 N ATOM 1063 CA GLY A 72 -3.609 13.817 -0.012 1.00 0.00 C ATOM 1064 C GLY A 72 -3.799 13.331 1.411 1.00 0.00 C ATOM 1065 O GLY A 72 -4.457 13.991 2.216 1.00 0.00 O ATOM 0 H GLY A 72 -1.814 13.001 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.118 14.790 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.584 13.959 -0.478 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.225 12.174 1.721 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.336 11.600 3.057 1.00 0.00 C ATOM 1071 C ILE A 73 -2.467 12.359 4.054 1.00 0.00 C ATOM 1072 O ILE A 73 -1.348 12.759 3.738 1.00 0.00 O ATOM 1073 CB ILE A 73 -2.931 10.114 3.067 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -3.964 9.277 2.310 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -2.782 9.616 4.496 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.390 8.019 1.697 1.00 0.00 C ATOM 0 H ILE A 73 -2.678 11.615 1.066 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.382 11.685 3.351 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.969 10.011 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.769 9.004 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.406 9.886 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.496 8.564 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.013 10.197 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.730 9.729 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.178 7.475 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.604 8.285 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.973 7.389 2.483 1.00 0.00 H new ATOM 1088 N GLN A 74 -2.991 12.551 5.261 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.263 13.261 6.305 1.00 0.00 C ATOM 1090 C GLN A 74 -2.753 12.845 7.689 1.00 0.00 C ATOM 1091 O GLN A 74 -3.905 12.445 7.856 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.419 14.772 6.128 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.213 15.567 6.602 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.570 16.984 7.006 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -1.420 17.922 6.223 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -2.046 17.147 8.235 1.00 0.00 N ATOM 0 H GLN A 74 -3.916 12.225 5.539 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.208 13.000 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.596 14.990 5.075 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.301 15.105 6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.756 15.056 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.467 15.597 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.154 16.341 8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.304 18.078 8.563 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.870 12.943 8.677 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.213 12.578 10.047 1.00 0.00 C ATOM 1107 C ASP A 75 -3.582 13.132 10.430 1.00 0.00 C ATOM 1108 O ASP A 75 -3.866 14.310 10.221 1.00 0.00 O ATOM 1109 CB ASP A 75 -1.149 13.095 11.016 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.704 13.343 12.405 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.539 12.536 12.863 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.303 14.345 13.035 1.00 0.00 O ATOM 0 H ASP A 75 -0.912 13.272 8.555 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.251 11.490 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.335 12.373 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.726 14.021 10.626 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.426 12.272 10.993 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.755 12.694 11.395 1.00 0.00 C ATOM 1119 C GLY A 76 -6.818 12.300 10.389 1.00 0.00 C ATOM 1120 O GLY A 76 -7.964 12.743 10.480 1.00 0.00 O ATOM 0 H GLY A 76 -4.213 11.292 11.178 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.995 12.255 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.765 13.776 11.525 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.439 11.467 9.426 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.368 11.015 8.397 1.00 0.00 C ATOM 1126 C CYS A 77 -7.854 9.598 8.686 1.00 0.00 C ATOM 1127 O CYS A 77 -7.522 9.017 9.720 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.702 11.067 7.021 1.00 0.00 C ATOM 1129 SG CYS A 77 -5.785 9.570 6.587 1.00 0.00 S ATOM 0 H CYS A 77 -5.495 11.091 9.337 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.229 11.683 8.402 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.467 11.243 6.265 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.022 11.918 6.990 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.981 9.289 5.333 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.642 9.049 7.768 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.176 7.702 7.927 1.00 0.00 C ATOM 1137 C ARG A 78 -9.096 6.927 6.614 1.00 0.00 C ATOM 1138 O ARG A 78 -9.625 7.362 5.591 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.627 7.759 8.409 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.766 7.744 9.923 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.210 7.952 10.352 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.307 8.468 11.715 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.353 9.149 12.170 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -14.386 9.394 11.375 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.368 9.585 13.422 1.00 0.00 N ATOM 0 H ARG A 78 -8.925 9.516 6.906 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.572 7.185 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.096 8.662 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.173 6.912 7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.403 6.793 10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.141 8.526 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.696 8.646 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.748 7.007 10.283 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.529 8.296 12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.379 9.059 10.412 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.188 9.917 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.576 9.398 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.172 10.108 13.770 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.430 5.778 6.651 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.280 4.942 5.466 1.00 0.00 C ATOM 1161 C VAL A 79 -9.006 3.613 5.636 1.00 0.00 C ATOM 1162 O VAL A 79 -9.050 3.053 6.731 1.00 0.00 O ATOM 1163 CB VAL A 79 -6.796 4.668 5.156 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -6.661 3.809 3.908 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.035 5.976 4.998 1.00 0.00 C ATOM 0 H VAL A 79 -7.985 5.404 7.489 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.722 5.490 4.634 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.363 4.121 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.606 3.626 3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.171 2.858 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.109 4.326 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.988 5.764 4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.467 6.552 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.103 6.551 5.922 1.00 0.00 H new ATOM 1175 N MET A 80 -9.575 3.111 4.544 1.00 0.00 N ATOM 1176 CA MET A 80 -10.298 1.846 4.572 1.00 0.00 C ATOM 1177 C MET A 80 -9.384 0.689 4.180 1.00 0.00 C ATOM 1178 O MET A 80 -8.489 0.845 3.349 1.00 0.00 O ATOM 1179 CB MET A 80 -11.502 1.901 3.630 1.00 0.00 C ATOM 1180 CG MET A 80 -12.207 0.564 3.465 1.00 0.00 C ATOM 1181 SD MET A 80 -13.494 0.301 4.701 1.00 0.00 S ATOM 1182 CE MET A 80 -14.446 -1.003 3.925 1.00 0.00 C ATOM 0 H MET A 80 -9.549 3.562 3.629 1.00 0.00 H new ATOM 0 HA MET A 80 -10.650 1.680 5.590 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.215 2.634 4.007 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.172 2.251 2.652 1.00 0.00 H new ATOM 0 HG2 MET A 80 -12.648 0.510 2.470 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.474 -0.240 3.532 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.281 -1.277 4.570 1.00 0.00 H new ATOM 0 HE2 MET A 80 -14.828 -0.653 2.966 1.00 0.00 H new ATOM 0 HE3 MET A 80 -13.809 -1.873 3.767 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.615 -0.472 4.784 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.812 -1.656 4.498 1.00 0.00 C ATOM 1194 C LEU A 81 -9.689 -2.902 4.419 1.00 0.00 C ATOM 1195 O LEU A 81 -10.494 -3.164 5.313 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.739 -1.841 5.572 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.748 -2.982 5.342 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.857 -2.682 4.147 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -5.909 -3.219 6.589 1.00 0.00 C ATOM 0 H LEU A 81 -10.351 -0.619 5.474 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.328 -1.512 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.177 -0.911 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.235 -2.005 6.528 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.312 -3.890 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.158 -3.505 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.472 -2.563 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.301 -1.762 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.209 -4.035 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.355 -2.313 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.561 -3.480 7.422 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.525 -3.667 3.345 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.298 -4.887 3.151 1.00 0.00 C ATOM 1213 C ILE A 82 -9.397 -6.117 3.159 1.00 0.00 C ATOM 1214 O ILE A 82 -8.412 -6.183 2.425 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.086 -4.851 1.828 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.012 -3.633 1.794 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -11.883 -6.134 1.651 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -12.901 -3.583 0.571 1.00 0.00 C ATOM 0 H ILE A 82 -8.863 -3.463 2.596 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.001 -4.949 3.982 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.379 -4.769 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.637 -3.637 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.408 -2.726 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.434 -6.093 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.203 -6.986 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.584 -6.244 2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.530 -2.694 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.283 -3.547 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.531 -4.472 0.543 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.742 -7.092 3.995 1.00 0.00 N ATOM 1231 CA GLY A 83 -8.955 -8.308 4.082 1.00 0.00 C ATOM 1232 C GLY A 83 -9.410 -9.214 5.209 1.00 0.00 C ATOM 1233 O GLY A 83 -10.435 -8.962 5.843 1.00 0.00 O ATOM 0 H GLY A 83 -10.553 -7.061 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.020 -8.848 3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.907 -8.049 4.229 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.648 -10.273 5.458 1.00 0.00 N ATOM 1238 CA LYS A 84 -8.977 -11.222 6.516 1.00 0.00 C ATOM 1239 C LYS A 84 -7.723 -11.654 7.269 1.00 0.00 C ATOM 1240 O LYS A 84 -6.604 -11.455 6.798 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.680 -12.448 5.929 1.00 0.00 C ATOM 1242 CG LYS A 84 -11.192 -12.311 5.868 1.00 0.00 C ATOM 1243 CD LYS A 84 -11.876 -13.667 5.888 1.00 0.00 C ATOM 1244 CE LYS A 84 -13.189 -13.641 5.121 1.00 0.00 C ATOM 1245 NZ LYS A 84 -14.318 -13.172 5.970 1.00 0.00 N ATOM 0 H LYS A 84 -7.797 -10.496 4.941 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.648 -10.727 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.299 -12.628 4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.427 -13.323 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -11.539 -11.715 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.473 -11.774 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.214 -14.416 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.062 -13.967 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.090 -12.987 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.409 -14.640 4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.195 -13.169 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.429 -13.810 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.120 -12.209 6.310 1.00 0.00 H new