USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 660 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 65 MET CE :methyl -158:sc= -3.85! (180deg=-2.08) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.0894 K(o=-3.9,f=-5.5!) USER MOD Set 1.3: A 85 TYR OH : rot -131:sc= 0.0083 USER MOD Set 2.1: A 66 THR OG1 : rot 150:sc= 1.03 USER MOD Set 2.2: A 89 THR OG1 : rot 143:sc= 1.23 USER MOD Set 3.1: A 18 GLN : amide:sc= 0.59 K(o=4.2,f=-4.5) USER MOD Set 3.2: A 26 LYS NZ :NH3+ -173:sc= 3.56 (180deg=2.27) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.106 (180deg=-0.665) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0879 (180deg=-0.32) USER MOD Single : A 3 LYS NZ :NH3+ -136:sc= -1.03 (180deg=-3.29!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0778 X(o=-0.078,f=-0.056) USER MOD Single : A 9 ASN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 142:sc= -0.911 (180deg=-2.35!) USER MOD Single : A 17 TYR OH : rot -141:sc= 1.03 USER MOD Single : A 21 SER OG : rot -105:sc= 1.21 USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0.805 (180deg=0.73) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.538 USER MOD Single : A 32 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.98) USER MOD Single : A 34 THR OG1 : rot 123:sc= 1.08 USER MOD Single : A 35 SER OG : rot 72:sc= 1.35 USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.534 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 1.07 (180deg=0.633) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 167:sc= 0.00497 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 34:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.313 5.340 4.744 1.00 0.00 N ATOM 2 CA MET A 1 8.978 5.978 4.770 1.00 0.00 C ATOM 3 C MET A 1 8.185 5.613 3.520 1.00 0.00 C ATOM 4 O MET A 1 6.955 5.641 3.533 1.00 0.00 O ATOM 5 CB MET A 1 9.129 7.501 4.876 1.00 0.00 C ATOM 6 CG MET A 1 7.810 8.261 4.892 1.00 0.00 C ATOM 7 SD MET A 1 8.039 10.051 4.956 1.00 0.00 S ATOM 8 CE MET A 1 8.916 10.223 6.509 1.00 0.00 C ATOM 0 H1 MET A 1 10.751 5.413 5.684 1.00 0.00 H new ATOM 0 H2 MET A 1 10.214 4.338 4.485 1.00 0.00 H new ATOM 0 H3 MET A 1 10.914 5.821 4.044 1.00 0.00 H new ATOM 0 HA MET A 1 8.434 5.613 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.682 7.737 5.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.729 7.854 4.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.236 8.004 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.222 7.943 5.753 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.837 11.252 6.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.479 9.553 7.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.966 9.969 6.364 1.00 0.00 H new ATOM 20 N VAL A 2 8.898 5.245 2.458 1.00 0.00 N ATOM 21 CA VAL A 2 8.284 4.895 1.180 1.00 0.00 C ATOM 22 C VAL A 2 7.608 6.109 0.554 1.00 0.00 C ATOM 23 O VAL A 2 6.408 6.334 0.709 1.00 0.00 O ATOM 24 CB VAL A 2 7.285 3.719 1.301 1.00 0.00 C ATOM 25 CG1 VAL A 2 6.692 3.362 -0.055 1.00 0.00 C ATOM 26 CG2 VAL A 2 7.975 2.509 1.915 1.00 0.00 C ATOM 0 H VAL A 2 9.916 5.181 2.459 1.00 0.00 H new ATOM 0 HA VAL A 2 9.090 4.562 0.526 1.00 0.00 H new ATOM 0 HB VAL A 2 6.468 4.030 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.994 2.533 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.166 4.226 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.491 3.071 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.264 1.687 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.809 2.206 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.346 2.766 2.907 1.00 0.00 H new ATOM 36 N LYS A 3 8.408 6.916 -0.127 1.00 0.00 N ATOM 37 CA LYS A 3 7.899 8.103 -0.797 1.00 0.00 C ATOM 38 C LYS A 3 7.299 7.752 -2.150 1.00 0.00 C ATOM 39 O LYS A 3 6.345 8.384 -2.600 1.00 0.00 O ATOM 40 CB LYS A 3 9.007 9.147 -0.961 1.00 0.00 C ATOM 41 CG LYS A 3 10.270 8.602 -1.611 1.00 0.00 C ATOM 42 CD LYS A 3 11.335 9.675 -1.820 1.00 0.00 C ATOM 43 CE LYS A 3 11.866 10.244 -0.505 1.00 0.00 C ATOM 44 NZ LYS A 3 10.954 11.260 0.085 1.00 0.00 N ATOM 0 H LYS A 3 9.412 6.770 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 3 7.111 8.526 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.628 9.974 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.259 9.553 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.679 7.806 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.016 8.156 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.163 9.253 -2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.917 10.484 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.009 9.431 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 3 12.844 10.694 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.510 12.072 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.276 11.579 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.437 10.840 0.884 1.00 0.00 H new ATOM 58 N THR A 4 7.871 6.756 -2.807 1.00 0.00 N ATOM 59 CA THR A 4 7.357 6.312 -4.086 1.00 0.00 C ATOM 60 C THR A 4 6.797 4.897 -3.990 1.00 0.00 C ATOM 61 O THR A 4 7.547 3.917 -3.999 1.00 0.00 O ATOM 62 CB THR A 4 8.441 6.376 -5.178 1.00 0.00 C ATOM 63 OG1 THR A 4 9.008 7.691 -5.212 1.00 0.00 O ATOM 64 CG2 THR A 4 7.857 6.041 -6.543 1.00 0.00 C ATOM 0 H THR A 4 8.688 6.243 -2.475 1.00 0.00 H new ATOM 0 HA THR A 4 6.549 6.989 -4.363 1.00 0.00 H new ATOM 0 HB THR A 4 9.213 5.644 -4.942 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.699 7.731 -5.906 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.642 6.093 -7.297 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.439 5.034 -6.523 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.071 6.755 -6.788 1.00 0.00 H new ATOM 72 N LEU A 5 5.486 4.805 -3.860 1.00 0.00 N ATOM 73 CA LEU A 5 4.803 3.522 -3.867 1.00 0.00 C ATOM 74 C LEU A 5 3.810 3.480 -5.016 1.00 0.00 C ATOM 75 O LEU A 5 3.146 4.473 -5.300 1.00 0.00 O ATOM 76 CB LEU A 5 4.070 3.290 -2.542 1.00 0.00 C ATOM 77 CG LEU A 5 3.334 1.953 -2.431 1.00 0.00 C ATOM 78 CD1 LEU A 5 4.318 0.793 -2.437 1.00 0.00 C ATOM 79 CD2 LEU A 5 2.474 1.922 -1.180 1.00 0.00 C ATOM 0 H LEU A 5 4.868 5.609 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 5 5.545 2.734 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.792 3.358 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.351 4.096 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 5 2.682 1.848 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.772 -0.147 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.888 0.804 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.000 0.890 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.958 0.964 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.105 2.052 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.741 2.727 -1.223 1.00 0.00 H new ATOM 91 N ARG A 6 3.730 2.346 -5.691 1.00 0.00 N ATOM 92 CA ARG A 6 2.747 2.166 -6.747 1.00 0.00 C ATOM 93 C ARG A 6 2.127 0.778 -6.678 1.00 0.00 C ATOM 94 O ARG A 6 2.802 -0.208 -6.382 1.00 0.00 O ATOM 95 CB ARG A 6 3.359 2.416 -8.132 1.00 0.00 C ATOM 96 CG ARG A 6 4.697 1.736 -8.367 1.00 0.00 C ATOM 97 CD ARG A 6 5.130 1.866 -9.819 1.00 0.00 C ATOM 98 NE ARG A 6 6.549 1.565 -10.005 1.00 0.00 N ATOM 99 CZ ARG A 6 7.009 0.491 -10.648 1.00 0.00 C ATOM 100 NH1 ARG A 6 6.170 -0.415 -11.132 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.312 0.316 -10.802 1.00 0.00 N ATOM 0 H ARG A 6 4.331 1.538 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 6 1.960 2.904 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.655 2.076 -8.892 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.483 3.490 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.452 2.179 -7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.625 0.682 -8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.534 1.192 -10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.927 2.879 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 6 7.230 2.218 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.164 -0.293 -11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.531 -1.233 -11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.967 1.003 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.661 -0.506 -11.294 1.00 0.00 H new ATOM 115 N LEU A 7 0.830 0.719 -6.926 1.00 0.00 N ATOM 116 CA LEU A 7 0.109 -0.540 -6.937 1.00 0.00 C ATOM 117 C LEU A 7 -0.333 -0.860 -8.356 1.00 0.00 C ATOM 118 O LEU A 7 -1.271 -0.254 -8.872 1.00 0.00 O ATOM 119 CB LEU A 7 -1.100 -0.476 -6.003 1.00 0.00 C ATOM 120 CG LEU A 7 -0.780 -0.121 -4.547 1.00 0.00 C ATOM 121 CD1 LEU A 7 -2.056 -0.004 -3.730 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.147 -1.160 -3.932 1.00 0.00 C ATOM 0 H LEU A 7 0.252 1.536 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 7 0.770 -1.330 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.803 0.260 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.606 -1.441 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.273 0.844 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.806 0.249 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.688 0.777 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.590 -0.954 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.362 -0.889 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.334 -2.138 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.078 -1.198 -4.498 1.00 0.00 H new ATOM 134 N ASN A 8 0.368 -1.799 -8.978 1.00 0.00 N ATOM 135 CA ASN A 8 0.117 -2.179 -10.366 1.00 0.00 C ATOM 136 C ASN A 8 0.260 -0.962 -11.277 1.00 0.00 C ATOM 137 O ASN A 8 -0.720 -0.478 -11.846 1.00 0.00 O ATOM 138 CB ASN A 8 -1.276 -2.813 -10.527 1.00 0.00 C ATOM 139 CG ASN A 8 -1.486 -3.454 -11.890 1.00 0.00 C ATOM 140 OD1 ASN A 8 -1.204 -4.638 -12.085 1.00 0.00 O ATOM 141 ND2 ASN A 8 -1.987 -2.682 -12.843 1.00 0.00 N ATOM 0 H ASN A 8 1.126 -2.319 -8.537 1.00 0.00 H new ATOM 0 HA ASN A 8 0.857 -2.926 -10.654 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.417 -3.566 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.037 -2.048 -10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.151 -3.063 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.209 -1.706 -12.645 1.00 0.00 H new ATOM 148 N ASN A 9 1.486 -0.438 -11.350 1.00 0.00 N ATOM 149 CA ASN A 9 1.828 0.692 -12.222 1.00 0.00 C ATOM 150 C ASN A 9 1.246 2.024 -11.722 1.00 0.00 C ATOM 151 O ASN A 9 1.792 3.089 -12.007 1.00 0.00 O ATOM 152 CB ASN A 9 1.380 0.406 -13.666 1.00 0.00 C ATOM 153 CG ASN A 9 1.728 1.522 -14.636 1.00 0.00 C ATOM 154 OD1 ASN A 9 2.823 1.553 -15.200 1.00 0.00 O ATOM 155 ND2 ASN A 9 0.789 2.432 -14.854 1.00 0.00 N ATOM 0 H ASN A 9 2.274 -0.786 -10.804 1.00 0.00 H new ATOM 0 HA ASN A 9 2.912 0.799 -12.199 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.844 -0.520 -14.006 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.302 0.246 -13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.960 3.194 -15.510 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.105 2.370 -14.366 1.00 0.00 H new ATOM 162 N VAL A 10 0.171 1.970 -10.948 1.00 0.00 N ATOM 163 CA VAL A 10 -0.504 3.177 -10.497 1.00 0.00 C ATOM 164 C VAL A 10 0.139 3.692 -9.221 1.00 0.00 C ATOM 165 O VAL A 10 0.064 3.047 -8.173 1.00 0.00 O ATOM 166 CB VAL A 10 -2.006 2.929 -10.248 1.00 0.00 C ATOM 167 CG1 VAL A 10 -2.707 4.214 -9.827 1.00 0.00 C ATOM 168 CG2 VAL A 10 -2.667 2.343 -11.488 1.00 0.00 C ATOM 0 H VAL A 10 -0.252 1.102 -10.620 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.405 3.921 -11.287 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.098 2.209 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.765 4.013 -9.657 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.257 4.590 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.601 4.961 -10.614 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.726 2.176 -11.291 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.558 3.038 -12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.191 1.396 -11.741 1.00 0.00 H new ATOM 178 N THR A 11 0.788 4.841 -9.321 1.00 0.00 N ATOM 179 CA THR A 11 1.468 5.432 -8.185 1.00 0.00 C ATOM 180 C THR A 11 0.454 5.877 -7.126 1.00 0.00 C ATOM 181 O THR A 11 -0.674 6.258 -7.449 1.00 0.00 O ATOM 182 CB THR A 11 2.356 6.622 -8.627 1.00 0.00 C ATOM 183 OG1 THR A 11 3.079 7.160 -7.513 1.00 0.00 O ATOM 184 CG2 THR A 11 1.522 7.719 -9.273 1.00 0.00 C ATOM 0 H THR A 11 0.857 5.383 -10.182 1.00 0.00 H new ATOM 0 HA THR A 11 2.117 4.674 -7.745 1.00 0.00 H new ATOM 0 HB THR A 11 3.066 6.244 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.635 7.909 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.172 8.541 -9.573 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.013 7.320 -10.150 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.783 8.083 -8.559 1.00 0.00 H new ATOM 192 N LEU A 12 0.852 5.811 -5.864 1.00 0.00 N ATOM 193 CA LEU A 12 -0.051 6.093 -4.763 1.00 0.00 C ATOM 194 C LEU A 12 0.674 6.857 -3.661 1.00 0.00 C ATOM 195 O LEU A 12 1.905 6.843 -3.586 1.00 0.00 O ATOM 196 CB LEU A 12 -0.609 4.779 -4.206 1.00 0.00 C ATOM 197 CG LEU A 12 -1.767 4.926 -3.220 1.00 0.00 C ATOM 198 CD1 LEU A 12 -2.991 5.483 -3.926 1.00 0.00 C ATOM 199 CD2 LEU A 12 -2.082 3.589 -2.572 1.00 0.00 C ATOM 0 H LEU A 12 1.799 5.563 -5.578 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.872 6.709 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.941 4.162 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.200 4.240 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.474 5.625 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.809 5.583 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.755 6.461 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.289 4.806 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.909 3.710 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.360 2.868 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.204 3.228 -2.037 1.00 0.00 H new ATOM 211 N GLU A 13 -0.095 7.529 -2.815 1.00 0.00 N ATOM 212 CA GLU A 13 0.453 8.221 -1.661 1.00 0.00 C ATOM 213 C GLU A 13 -0.268 7.760 -0.402 1.00 0.00 C ATOM 214 O GLU A 13 -1.425 7.340 -0.457 1.00 0.00 O ATOM 215 CB GLU A 13 0.325 9.739 -1.814 1.00 0.00 C ATOM 216 CG GLU A 13 0.998 10.285 -3.060 1.00 0.00 C ATOM 217 CD GLU A 13 1.158 11.787 -3.017 1.00 0.00 C ATOM 218 OE1 GLU A 13 0.156 12.507 -3.212 1.00 0.00 O ATOM 219 OE2 GLU A 13 2.293 12.256 -2.783 1.00 0.00 O ATOM 0 H GLU A 13 -1.108 7.608 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 13 1.513 7.980 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.732 10.005 -1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.757 10.221 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.978 9.821 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.412 10.010 -3.937 1.00 0.00 H new ATOM 226 N MET A 14 0.411 7.845 0.731 1.00 0.00 N ATOM 227 CA MET A 14 -0.132 7.359 1.981 1.00 0.00 C ATOM 228 C MET A 14 0.010 8.430 3.037 1.00 0.00 C ATOM 229 O MET A 14 0.982 9.186 3.045 1.00 0.00 O ATOM 230 CB MET A 14 0.583 6.087 2.461 1.00 0.00 C ATOM 231 CG MET A 14 0.569 4.927 1.471 1.00 0.00 C ATOM 232 SD MET A 14 1.706 5.163 0.092 1.00 0.00 S ATOM 233 CE MET A 14 3.225 5.510 0.973 1.00 0.00 C ATOM 0 H MET A 14 1.344 8.249 0.806 1.00 0.00 H new ATOM 0 HA MET A 14 -1.181 7.116 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.619 6.336 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.120 5.757 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.828 4.007 1.995 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.442 4.800 1.083 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.061 5.041 0.455 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.383 6.588 1.016 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.157 5.112 1.986 1.00 0.00 H new ATOM 243 N ALA A 15 -0.954 8.491 3.925 1.00 0.00 N ATOM 244 CA ALA A 15 -0.923 9.451 5.009 1.00 0.00 C ATOM 245 C ALA A 15 -0.396 8.785 6.266 1.00 0.00 C ATOM 246 O ALA A 15 0.514 9.290 6.921 1.00 0.00 O ATOM 247 CB ALA A 15 -2.307 10.019 5.229 1.00 0.00 C ATOM 0 H ALA A 15 -1.774 7.885 3.920 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.255 10.274 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.279 10.741 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.646 10.514 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.995 9.212 5.481 1.00 0.00 H new ATOM 253 N ALA A 16 -0.965 7.635 6.586 1.00 0.00 N ATOM 254 CA ALA A 16 -0.480 6.831 7.689 1.00 0.00 C ATOM 255 C ALA A 16 0.013 5.490 7.169 1.00 0.00 C ATOM 256 O ALA A 16 -0.750 4.532 7.049 1.00 0.00 O ATOM 257 CB ALA A 16 -1.556 6.646 8.751 1.00 0.00 C ATOM 0 H ALA A 16 -1.766 7.238 6.094 1.00 0.00 H new ATOM 0 HA ALA A 16 0.353 7.352 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.162 6.038 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.857 7.620 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.420 6.147 8.311 1.00 0.00 H new ATOM 263 N TYR A 17 1.279 5.457 6.793 1.00 0.00 N ATOM 264 CA TYR A 17 1.902 4.239 6.301 1.00 0.00 C ATOM 265 C TYR A 17 2.287 3.328 7.464 1.00 0.00 C ATOM 266 O TYR A 17 3.296 3.550 8.130 1.00 0.00 O ATOM 267 CB TYR A 17 3.134 4.593 5.463 1.00 0.00 C ATOM 268 CG TYR A 17 3.773 3.412 4.765 1.00 0.00 C ATOM 269 CD1 TYR A 17 3.216 2.883 3.609 1.00 0.00 C ATOM 270 CD2 TYR A 17 4.943 2.842 5.251 1.00 0.00 C ATOM 271 CE1 TYR A 17 3.803 1.817 2.958 1.00 0.00 C ATOM 272 CE2 TYR A 17 5.536 1.772 4.607 1.00 0.00 C ATOM 273 CZ TYR A 17 4.963 1.265 3.459 1.00 0.00 C ATOM 274 OH TYR A 17 5.553 0.208 2.804 1.00 0.00 O ATOM 0 H TYR A 17 1.900 6.265 6.819 1.00 0.00 H new ATOM 0 HA TYR A 17 1.189 3.703 5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.849 5.332 4.714 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.876 5.063 6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.308 3.313 3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.397 3.241 6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.356 1.417 2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.442 1.336 5.000 1.00 0.00 H new ATOM 0 HH TYR A 17 5.904 -0.429 3.461 1.00 0.00 H new ATOM 284 N GLN A 18 1.463 2.322 7.717 1.00 0.00 N ATOM 285 CA GLN A 18 1.713 1.364 8.783 1.00 0.00 C ATOM 286 C GLN A 18 2.193 0.039 8.204 1.00 0.00 C ATOM 287 O GLN A 18 1.416 -0.700 7.600 1.00 0.00 O ATOM 288 CB GLN A 18 0.434 1.136 9.593 1.00 0.00 C ATOM 289 CG GLN A 18 0.546 0.023 10.623 1.00 0.00 C ATOM 290 CD GLN A 18 -0.808 -0.493 11.072 1.00 0.00 C ATOM 291 OE1 GLN A 18 -0.953 -1.665 11.415 1.00 0.00 O ATOM 292 NE2 GLN A 18 -1.812 0.372 11.064 1.00 0.00 N ATOM 0 H GLN A 18 0.606 2.147 7.192 1.00 0.00 H new ATOM 0 HA GLN A 18 2.487 1.767 9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.168 2.063 10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.381 0.903 8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.123 -0.800 10.202 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.097 0.389 11.489 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.652 1.336 10.773 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.745 0.073 11.349 1.00 0.00 H new ATOM 301 N GLU A 19 3.465 -0.267 8.373 1.00 0.00 N ATOM 302 CA GLU A 19 3.984 -1.533 7.888 1.00 0.00 C ATOM 303 C GLU A 19 4.581 -2.350 9.024 1.00 0.00 C ATOM 304 O GLU A 19 5.365 -1.850 9.832 1.00 0.00 O ATOM 305 CB GLU A 19 5.042 -1.326 6.807 1.00 0.00 C ATOM 306 CG GLU A 19 5.344 -2.587 6.010 1.00 0.00 C ATOM 307 CD GLU A 19 6.591 -2.458 5.160 1.00 0.00 C ATOM 308 OE1 GLU A 19 6.711 -1.465 4.424 1.00 0.00 O ATOM 309 OE2 GLU A 19 7.456 -3.357 5.225 1.00 0.00 O ATOM 0 H GLU A 19 4.149 0.332 8.835 1.00 0.00 H new ATOM 0 HA GLU A 19 3.143 -2.077 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.706 -0.545 6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.961 -0.970 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.462 -3.426 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.494 -2.818 5.368 1.00 0.00 H new ATOM 316 N GLU A 20 4.191 -3.603 9.067 1.00 0.00 N ATOM 317 CA GLU A 20 4.779 -4.575 9.969 1.00 0.00 C ATOM 318 C GLU A 20 5.505 -5.594 9.120 1.00 0.00 C ATOM 319 O GLU A 20 4.881 -6.446 8.498 1.00 0.00 O ATOM 320 CB GLU A 20 3.706 -5.239 10.839 1.00 0.00 C ATOM 321 CG GLU A 20 2.926 -4.254 11.701 1.00 0.00 C ATOM 322 CD GLU A 20 1.992 -4.939 12.676 1.00 0.00 C ATOM 323 OE1 GLU A 20 2.456 -5.318 13.777 1.00 0.00 O ATOM 324 OE2 GLU A 20 0.794 -5.094 12.356 1.00 0.00 O ATOM 0 H GLU A 20 3.452 -3.982 8.475 1.00 0.00 H new ATOM 0 HA GLU A 20 5.474 -4.089 10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.010 -5.777 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.180 -5.979 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.627 -3.629 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.349 -3.592 11.056 1.00 0.00 H new ATOM 331 N SER A 21 6.817 -5.460 9.066 1.00 0.00 N ATOM 332 CA SER A 21 7.629 -6.174 8.093 1.00 0.00 C ATOM 333 C SER A 21 8.196 -7.472 8.652 1.00 0.00 C ATOM 334 O SER A 21 8.788 -8.256 7.912 1.00 0.00 O ATOM 335 CB SER A 21 8.784 -5.271 7.659 1.00 0.00 C ATOM 336 OG SER A 21 8.363 -3.920 7.572 1.00 0.00 O ATOM 0 H SER A 21 7.350 -4.856 9.692 1.00 0.00 H new ATOM 0 HA SER A 21 6.990 -6.431 7.249 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.605 -5.355 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.166 -5.600 6.693 1.00 0.00 H new ATOM 0 HG SER A 21 8.269 -3.667 6.630 1.00 0.00 H new ATOM 342 N GLU A 22 8.036 -7.712 9.948 1.00 0.00 N ATOM 343 CA GLU A 22 8.703 -8.867 10.539 1.00 0.00 C ATOM 344 C GLU A 22 7.846 -9.998 11.015 1.00 0.00 C ATOM 345 O GLU A 22 8.375 -11.097 11.194 1.00 0.00 O ATOM 346 CB GLU A 22 9.682 -8.472 11.618 1.00 0.00 C ATOM 347 CG GLU A 22 11.059 -8.315 11.039 1.00 0.00 C ATOM 348 CD GLU A 22 12.130 -8.092 12.072 1.00 0.00 C ATOM 349 OE1 GLU A 22 12.279 -6.950 12.545 1.00 0.00 O ATOM 350 OE2 GLU A 22 12.849 -9.059 12.395 1.00 0.00 O ATOM 0 H GLU A 22 7.475 -7.149 10.588 1.00 0.00 H new ATOM 0 HA GLU A 22 9.227 -9.277 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.366 -7.537 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.694 -9.228 12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.304 -9.206 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.057 -7.475 10.344 1.00 0.00 H new ATOM 357 N PRO A 23 6.565 -9.844 11.260 1.00 0.00 N ATOM 358 CA PRO A 23 5.791 -11.024 11.464 1.00 0.00 C ATOM 359 C PRO A 23 5.386 -11.621 10.120 1.00 0.00 C ATOM 360 O PRO A 23 5.054 -12.800 10.005 1.00 0.00 O ATOM 361 CB PRO A 23 4.608 -10.521 12.268 1.00 0.00 C ATOM 362 CG PRO A 23 4.420 -9.109 11.820 1.00 0.00 C ATOM 363 CD PRO A 23 5.788 -8.604 11.444 1.00 0.00 C ATOM 0 HA PRO A 23 6.317 -11.827 11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.717 -11.119 12.078 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.805 -10.574 13.339 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.739 -9.057 10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.986 -8.503 12.615 1.00 0.00 H new ATOM 0 HD2 PRO A 23 5.760 -8.007 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 23 6.214 -7.974 12.225 1.00 0.00 H new ATOM 371 N LYS A 24 5.441 -10.745 9.124 1.00 0.00 N ATOM 372 CA LYS A 24 5.180 -11.023 7.732 1.00 0.00 C ATOM 373 C LYS A 24 5.373 -9.703 7.013 1.00 0.00 C ATOM 374 O LYS A 24 5.746 -8.730 7.652 1.00 0.00 O ATOM 375 CB LYS A 24 3.759 -11.530 7.525 1.00 0.00 C ATOM 376 CG LYS A 24 3.675 -13.032 7.319 1.00 0.00 C ATOM 377 CD LYS A 24 2.243 -13.508 7.142 1.00 0.00 C ATOM 378 CE LYS A 24 2.179 -15.027 7.139 1.00 0.00 C ATOM 379 NZ LYS A 24 0.799 -15.542 6.937 1.00 0.00 N ATOM 0 H LYS A 24 5.684 -9.767 9.284 1.00 0.00 H new ATOM 0 HA LYS A 24 5.845 -11.800 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.154 -11.256 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.325 -11.028 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.259 -13.310 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.122 -13.540 8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.621 -13.114 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.838 -13.120 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.825 -15.412 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.569 -15.405 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.807 -16.581 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.177 -15.171 7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.446 -15.234 6.008 1.00 0.00 H new ATOM 393 N ARG A 25 5.136 -9.634 5.722 1.00 0.00 N ATOM 394 CA ARG A 25 5.080 -8.331 5.079 1.00 0.00 C ATOM 395 C ARG A 25 3.652 -7.802 5.104 1.00 0.00 C ATOM 396 O ARG A 25 2.881 -8.010 4.167 1.00 0.00 O ATOM 397 CB ARG A 25 5.614 -8.369 3.648 1.00 0.00 C ATOM 398 CG ARG A 25 7.116 -8.580 3.557 1.00 0.00 C ATOM 399 CD ARG A 25 7.877 -7.597 4.430 1.00 0.00 C ATOM 400 NE ARG A 25 9.297 -7.556 4.090 1.00 0.00 N ATOM 401 CZ ARG A 25 10.213 -8.389 4.580 1.00 0.00 C ATOM 402 NH1 ARG A 25 9.877 -9.335 5.447 1.00 0.00 N ATOM 403 NH2 ARG A 25 11.477 -8.270 4.199 1.00 0.00 N ATOM 0 H ARG A 25 4.983 -10.434 5.109 1.00 0.00 H new ATOM 0 HA ARG A 25 5.726 -7.657 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.111 -9.168 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.357 -7.434 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.359 -9.599 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.437 -8.470 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.447 -6.602 4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.762 -7.876 5.477 1.00 0.00 H new ATOM 0 HE ARG A 25 9.608 -6.841 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.907 -9.431 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.589 -9.966 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.743 -7.544 3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.184 -8.905 4.571 1.00 0.00 H new ATOM 417 N LYS A 26 3.291 -7.154 6.203 1.00 0.00 N ATOM 418 CA LYS A 26 1.951 -6.607 6.352 1.00 0.00 C ATOM 419 C LYS A 26 1.977 -5.098 6.173 1.00 0.00 C ATOM 420 O LYS A 26 2.394 -4.362 7.068 1.00 0.00 O ATOM 421 CB LYS A 26 1.357 -6.938 7.722 1.00 0.00 C ATOM 422 CG LYS A 26 -0.153 -6.768 7.768 1.00 0.00 C ATOM 423 CD LYS A 26 -0.639 -6.300 9.129 1.00 0.00 C ATOM 424 CE LYS A 26 -0.328 -4.827 9.358 1.00 0.00 C ATOM 425 NZ LYS A 26 -1.019 -4.302 10.564 1.00 0.00 N ATOM 0 H LYS A 26 3.905 -6.995 7.002 1.00 0.00 H new ATOM 0 HA LYS A 26 1.326 -7.062 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.610 -7.965 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.813 -6.296 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.459 -6.049 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.631 -7.716 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.714 -6.462 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.168 -6.898 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.748 -4.695 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.632 -4.250 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.881 -3.273 10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.036 -4.512 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.625 -4.753 11.414 1.00 0.00 H new ATOM 439 N ILE A 27 1.537 -4.646 5.019 1.00 0.00 N ATOM 440 CA ILE A 27 1.484 -3.226 4.728 1.00 0.00 C ATOM 441 C ILE A 27 0.046 -2.720 4.823 1.00 0.00 C ATOM 442 O ILE A 27 -0.815 -3.082 4.022 1.00 0.00 O ATOM 443 CB ILE A 27 2.094 -2.906 3.341 1.00 0.00 C ATOM 444 CG1 ILE A 27 1.729 -1.485 2.892 1.00 0.00 C ATOM 445 CG2 ILE A 27 1.661 -3.936 2.309 1.00 0.00 C ATOM 446 CD1 ILE A 27 2.308 -1.098 1.545 1.00 0.00 C ATOM 0 H ILE A 27 1.208 -5.244 4.261 1.00 0.00 H new ATOM 0 HA ILE A 27 2.086 -2.706 5.473 1.00 0.00 H new ATOM 0 HB ILE A 27 3.179 -2.956 3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.644 -1.396 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.078 -0.776 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.102 -3.690 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.996 -4.926 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.574 -3.931 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.005 -0.080 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.396 -1.153 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.939 -1.782 0.780 1.00 0.00 H new ATOM 458 N ALA A 28 -0.205 -1.908 5.831 1.00 0.00 N ATOM 459 CA ALA A 28 -1.520 -1.338 6.050 1.00 0.00 C ATOM 460 C ALA A 28 -1.450 0.175 5.945 1.00 0.00 C ATOM 461 O ALA A 28 -0.995 0.849 6.869 1.00 0.00 O ATOM 462 CB ALA A 28 -2.052 -1.749 7.413 1.00 0.00 C ATOM 0 H ALA A 28 0.493 -1.626 6.519 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.201 -1.714 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.040 -1.314 7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.122 -2.836 7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.376 -1.393 8.190 1.00 0.00 H new ATOM 468 N PHE A 29 -1.874 0.711 4.821 1.00 0.00 N ATOM 469 CA PHE A 29 -1.791 2.140 4.616 1.00 0.00 C ATOM 470 C PHE A 29 -3.148 2.807 4.772 1.00 0.00 C ATOM 471 O PHE A 29 -4.169 2.325 4.268 1.00 0.00 O ATOM 472 CB PHE A 29 -1.158 2.481 3.258 1.00 0.00 C ATOM 473 CG PHE A 29 -1.738 1.759 2.069 1.00 0.00 C ATOM 474 CD1 PHE A 29 -2.824 2.275 1.379 1.00 0.00 C ATOM 475 CD2 PHE A 29 -1.175 0.573 1.628 1.00 0.00 C ATOM 476 CE1 PHE A 29 -3.337 1.621 0.277 1.00 0.00 C ATOM 477 CE2 PHE A 29 -1.681 -0.084 0.522 1.00 0.00 C ATOM 478 CZ PHE A 29 -2.764 0.441 -0.153 1.00 0.00 C ATOM 0 H PHE A 29 -2.275 0.186 4.044 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.137 2.538 5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.255 3.554 3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.092 2.261 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.274 3.200 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.330 0.156 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.186 2.032 -0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.230 -1.006 0.187 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.163 -0.071 -1.017 1.00 0.00 H new ATOM 488 N THR A 30 -3.144 3.898 5.518 1.00 0.00 N ATOM 489 CA THR A 30 -4.312 4.734 5.668 1.00 0.00 C ATOM 490 C THR A 30 -4.301 5.815 4.590 1.00 0.00 C ATOM 491 O THR A 30 -3.433 6.699 4.588 1.00 0.00 O ATOM 492 CB THR A 30 -4.333 5.398 7.056 1.00 0.00 C ATOM 493 OG1 THR A 30 -3.929 4.458 8.060 1.00 0.00 O ATOM 494 CG2 THR A 30 -5.719 5.916 7.381 1.00 0.00 C ATOM 0 H THR A 30 -2.328 4.225 6.035 1.00 0.00 H new ATOM 0 HA THR A 30 -5.202 4.112 5.566 1.00 0.00 H new ATOM 0 HB THR A 30 -3.636 6.236 7.041 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.095 4.837 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.712 6.382 8.367 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.017 6.652 6.634 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.427 5.088 7.376 1.00 0.00 H new ATOM 502 N LEU A 31 -5.242 5.724 3.666 1.00 0.00 N ATOM 503 CA LEU A 31 -5.307 6.646 2.541 1.00 0.00 C ATOM 504 C LEU A 31 -6.214 7.829 2.881 1.00 0.00 C ATOM 505 O LEU A 31 -7.311 7.646 3.407 1.00 0.00 O ATOM 506 CB LEU A 31 -5.811 5.900 1.295 1.00 0.00 C ATOM 507 CG LEU A 31 -5.563 6.584 -0.059 1.00 0.00 C ATOM 508 CD1 LEU A 31 -5.657 5.571 -1.188 1.00 0.00 C ATOM 509 CD2 LEU A 31 -6.557 7.710 -0.301 1.00 0.00 C ATOM 0 H LEU A 31 -5.977 5.017 3.672 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.312 7.038 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.341 4.917 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.883 5.738 1.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.560 7.009 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.479 6.070 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.909 4.792 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.651 5.123 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.354 8.173 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.570 7.308 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.460 8.457 0.487 1.00 0.00 H new ATOM 521 N ASN A 32 -5.745 9.038 2.583 1.00 0.00 N ATOM 522 CA ASN A 32 -6.500 10.252 2.887 1.00 0.00 C ATOM 523 C ASN A 32 -7.628 10.450 1.879 1.00 0.00 C ATOM 524 O ASN A 32 -7.396 10.833 0.730 1.00 0.00 O ATOM 525 CB ASN A 32 -5.572 11.472 2.891 1.00 0.00 C ATOM 526 CG ASN A 32 -6.303 12.765 3.205 1.00 0.00 C ATOM 527 OD1 ASN A 32 -6.795 13.451 2.311 1.00 0.00 O ATOM 528 ND2 ASN A 32 -6.375 13.110 4.481 1.00 0.00 N ATOM 0 H ASN A 32 -4.846 9.204 2.131 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.938 10.143 3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.781 11.319 3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.090 11.560 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -6.851 13.971 4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.954 12.515 5.195 1.00 0.00 H new ATOM 535 N VAL A 33 -8.843 10.174 2.325 1.00 0.00 N ATOM 536 CA VAL A 33 -10.025 10.253 1.481 1.00 0.00 C ATOM 537 C VAL A 33 -10.925 11.403 1.919 1.00 0.00 C ATOM 538 O VAL A 33 -11.678 11.284 2.882 1.00 0.00 O ATOM 539 CB VAL A 33 -10.818 8.928 1.522 1.00 0.00 C ATOM 540 CG1 VAL A 33 -12.073 9.000 0.666 1.00 0.00 C ATOM 541 CG2 VAL A 33 -9.932 7.782 1.071 1.00 0.00 C ATOM 0 H VAL A 33 -9.038 9.888 3.285 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.692 10.433 0.459 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.134 8.754 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.605 8.050 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.718 9.798 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.797 9.203 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.498 6.851 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.591 7.965 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.070 7.706 1.734 1.00 0.00 H new ATOM 551 N THR A 34 -10.831 12.531 1.240 1.00 0.00 N ATOM 552 CA THR A 34 -11.705 13.645 1.547 1.00 0.00 C ATOM 553 C THR A 34 -12.952 13.562 0.677 1.00 0.00 C ATOM 554 O THR A 34 -12.960 12.858 -0.331 1.00 0.00 O ATOM 555 CB THR A 34 -11.013 15.006 1.337 1.00 0.00 C ATOM 556 OG1 THR A 34 -10.852 15.281 -0.058 1.00 0.00 O ATOM 557 CG2 THR A 34 -9.653 15.040 2.009 1.00 0.00 C ATOM 0 H THR A 34 -10.168 12.698 0.483 1.00 0.00 H new ATOM 0 HA THR A 34 -11.973 13.577 2.601 1.00 0.00 H new ATOM 0 HB THR A 34 -11.650 15.767 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.291 16.129 -0.277 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.189 16.013 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.772 14.872 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.019 14.260 1.588 1.00 0.00 H new ATOM 565 N SER A 35 -13.993 14.292 1.048 1.00 0.00 N ATOM 566 CA SER A 35 -15.260 14.245 0.331 1.00 0.00 C ATOM 567 C SER A 35 -15.143 14.804 -1.093 1.00 0.00 C ATOM 568 O SER A 35 -16.069 14.684 -1.893 1.00 0.00 O ATOM 569 CB SER A 35 -16.309 15.014 1.131 1.00 0.00 C ATOM 570 OG SER A 35 -15.708 16.091 1.838 1.00 0.00 O ATOM 0 H SER A 35 -13.985 14.928 1.846 1.00 0.00 H new ATOM 0 HA SER A 35 -15.560 13.202 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.078 15.396 0.460 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.804 14.342 1.833 1.00 0.00 H new ATOM 0 HG SER A 35 -15.444 16.791 1.205 1.00 0.00 H new ATOM 576 N GLU A 36 -13.993 15.386 -1.409 1.00 0.00 N ATOM 577 CA GLU A 36 -13.775 15.991 -2.717 1.00 0.00 C ATOM 578 C GLU A 36 -13.201 14.975 -3.697 1.00 0.00 C ATOM 579 O GLU A 36 -13.217 15.191 -4.907 1.00 0.00 O ATOM 580 CB GLU A 36 -12.818 17.187 -2.616 1.00 0.00 C ATOM 581 CG GLU A 36 -13.261 18.278 -1.649 1.00 0.00 C ATOM 582 CD GLU A 36 -13.126 17.872 -0.195 1.00 0.00 C ATOM 583 OE1 GLU A 36 -11.980 17.688 0.268 1.00 0.00 O ATOM 584 OE2 GLU A 36 -14.165 17.702 0.478 1.00 0.00 O ATOM 0 H GLU A 36 -13.196 15.452 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.743 16.335 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.837 16.825 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.700 17.625 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.668 19.175 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.300 18.537 -1.853 1.00 0.00 H new ATOM 591 N THR A 37 -12.692 13.869 -3.172 1.00 0.00 N ATOM 592 CA THR A 37 -12.001 12.886 -3.994 1.00 0.00 C ATOM 593 C THR A 37 -12.377 11.463 -3.569 1.00 0.00 C ATOM 594 O THR A 37 -11.786 10.480 -4.015 1.00 0.00 O ATOM 595 CB THR A 37 -10.470 13.101 -3.883 1.00 0.00 C ATOM 596 OG1 THR A 37 -9.753 12.235 -4.771 1.00 0.00 O ATOM 597 CG2 THR A 37 -9.992 12.883 -2.452 1.00 0.00 C ATOM 0 H THR A 37 -12.745 13.630 -2.182 1.00 0.00 H new ATOM 0 HA THR A 37 -12.305 13.017 -5.032 1.00 0.00 H new ATOM 0 HB THR A 37 -10.268 14.133 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.249 11.397 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 37 -8.915 13.040 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.493 13.588 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.226 11.865 -2.141 1.00 0.00 H new ATOM 605 N TYR A 38 -13.400 11.359 -2.730 1.00 0.00 N ATOM 606 CA TYR A 38 -13.757 10.086 -2.126 1.00 0.00 C ATOM 607 C TYR A 38 -14.492 9.177 -3.111 1.00 0.00 C ATOM 608 O TYR A 38 -14.467 7.959 -2.969 1.00 0.00 O ATOM 609 CB TYR A 38 -14.626 10.320 -0.878 1.00 0.00 C ATOM 610 CG TYR A 38 -16.112 10.313 -1.142 1.00 0.00 C ATOM 611 CD1 TYR A 38 -16.762 11.435 -1.634 1.00 0.00 C ATOM 612 CD2 TYR A 38 -16.862 9.168 -0.907 1.00 0.00 C ATOM 613 CE1 TYR A 38 -18.116 11.415 -1.892 1.00 0.00 C ATOM 614 CE2 TYR A 38 -18.214 9.141 -1.159 1.00 0.00 C ATOM 615 CZ TYR A 38 -18.840 10.267 -1.652 1.00 0.00 C ATOM 616 OH TYR A 38 -20.187 10.242 -1.918 1.00 0.00 O ATOM 0 H TYR A 38 -13.995 12.140 -2.454 1.00 0.00 H new ATOM 0 HA TYR A 38 -12.832 9.585 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -14.397 9.550 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -14.353 11.277 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -16.199 12.338 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -16.376 8.285 -0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.607 12.295 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -18.783 8.242 -0.972 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.548 9.359 -1.695 1.00 0.00 H new ATOM 626 N HIS A 39 -15.129 9.768 -4.116 1.00 0.00 N ATOM 627 CA HIS A 39 -16.023 9.017 -4.992 1.00 0.00 C ATOM 628 C HIS A 39 -15.245 8.027 -5.851 1.00 0.00 C ATOM 629 O HIS A 39 -15.700 6.910 -6.084 1.00 0.00 O ATOM 630 CB HIS A 39 -16.846 9.969 -5.869 1.00 0.00 C ATOM 631 CG HIS A 39 -17.934 9.287 -6.645 1.00 0.00 C ATOM 632 ND1 HIS A 39 -19.198 9.070 -6.135 1.00 0.00 N ATOM 633 CD2 HIS A 39 -17.945 8.774 -7.898 1.00 0.00 C ATOM 634 CE1 HIS A 39 -19.935 8.452 -7.041 1.00 0.00 C ATOM 635 NE2 HIS A 39 -19.197 8.263 -8.118 1.00 0.00 N ATOM 0 H HIS A 39 -15.044 10.759 -4.344 1.00 0.00 H new ATOM 0 HA HIS A 39 -16.710 8.448 -4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.290 10.738 -5.237 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.178 10.476 -6.566 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -17.120 8.769 -8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -20.966 8.153 -6.920 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -19.509 7.809 -8.977 1.00 0.00 H new ATOM 644 N ASP A 40 -14.073 8.441 -6.306 1.00 0.00 N ATOM 645 CA ASP A 40 -13.210 7.581 -7.109 1.00 0.00 C ATOM 646 C ASP A 40 -12.698 6.411 -6.274 1.00 0.00 C ATOM 647 O ASP A 40 -12.671 5.265 -6.723 1.00 0.00 O ATOM 648 CB ASP A 40 -12.031 8.386 -7.658 1.00 0.00 C ATOM 649 CG ASP A 40 -11.110 7.561 -8.533 1.00 0.00 C ATOM 650 OD1 ASP A 40 -11.390 7.430 -9.746 1.00 0.00 O ATOM 651 OD2 ASP A 40 -10.085 7.068 -8.023 1.00 0.00 O ATOM 0 H ASP A 40 -13.694 9.372 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.791 7.187 -7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.411 9.230 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.460 8.798 -6.826 1.00 0.00 H new ATOM 656 N ILE A 41 -12.323 6.715 -5.041 1.00 0.00 N ATOM 657 CA ILE A 41 -11.785 5.719 -4.126 1.00 0.00 C ATOM 658 C ILE A 41 -12.899 4.806 -3.607 1.00 0.00 C ATOM 659 O ILE A 41 -12.653 3.682 -3.176 1.00 0.00 O ATOM 660 CB ILE A 41 -11.068 6.408 -2.945 1.00 0.00 C ATOM 661 CG1 ILE A 41 -10.123 7.492 -3.474 1.00 0.00 C ATOM 662 CG2 ILE A 41 -10.293 5.387 -2.126 1.00 0.00 C ATOM 663 CD1 ILE A 41 -9.498 8.352 -2.394 1.00 0.00 C ATOM 0 H ILE A 41 -12.382 7.654 -4.647 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.063 5.109 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.815 6.871 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.329 7.017 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.674 8.134 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.793 5.889 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.980 4.637 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.549 4.902 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.844 9.093 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.283 8.859 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.917 7.723 -1.719 1.00 0.00 H new ATOM 675 N ALA A 42 -14.128 5.299 -3.663 1.00 0.00 N ATOM 676 CA ALA A 42 -15.293 4.496 -3.316 1.00 0.00 C ATOM 677 C ALA A 42 -15.517 3.414 -4.364 1.00 0.00 C ATOM 678 O ALA A 42 -16.104 2.368 -4.084 1.00 0.00 O ATOM 679 CB ALA A 42 -16.526 5.374 -3.187 1.00 0.00 C ATOM 0 H ALA A 42 -14.345 6.254 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.111 4.017 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -17.386 4.757 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.363 6.117 -2.406 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -16.714 5.879 -4.135 1.00 0.00 H new ATOM 685 N VAL A 43 -15.052 3.684 -5.579 1.00 0.00 N ATOM 686 CA VAL A 43 -15.102 2.704 -6.653 1.00 0.00 C ATOM 687 C VAL A 43 -13.952 1.717 -6.492 1.00 0.00 C ATOM 688 O VAL A 43 -14.128 0.505 -6.633 1.00 0.00 O ATOM 689 CB VAL A 43 -15.024 3.372 -8.046 1.00 0.00 C ATOM 690 CG1 VAL A 43 -15.133 2.332 -9.154 1.00 0.00 C ATOM 691 CG2 VAL A 43 -16.111 4.427 -8.192 1.00 0.00 C ATOM 0 H VAL A 43 -14.635 4.577 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 43 -16.057 2.183 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 43 -14.054 3.861 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.076 2.826 -10.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.316 1.616 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.085 1.809 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -16.042 4.887 -9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.089 3.960 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.982 5.191 -7.425 1.00 0.00 H new ATOM 701 N LEU A 44 -12.781 2.253 -6.170 1.00 0.00 N ATOM 702 CA LEU A 44 -11.607 1.436 -5.897 1.00 0.00 C ATOM 703 C LEU A 44 -11.654 0.929 -4.455 1.00 0.00 C ATOM 704 O LEU A 44 -10.949 1.431 -3.578 1.00 0.00 O ATOM 705 CB LEU A 44 -10.332 2.251 -6.136 1.00 0.00 C ATOM 706 CG LEU A 44 -9.023 1.469 -6.018 1.00 0.00 C ATOM 707 CD1 LEU A 44 -8.953 0.388 -7.082 1.00 0.00 C ATOM 708 CD2 LEU A 44 -7.831 2.406 -6.126 1.00 0.00 C ATOM 0 H LEU A 44 -12.620 3.257 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.602 0.580 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.384 2.692 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.309 3.075 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.993 0.990 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.015 -0.159 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.789 -0.300 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.004 0.846 -8.070 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.908 1.832 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.854 2.914 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.875 3.145 -5.326 1.00 0.00 H new ATOM 720 N LEU A 45 -12.486 -0.072 -4.217 1.00 0.00 N ATOM 721 CA LEU A 45 -12.777 -0.513 -2.871 1.00 0.00 C ATOM 722 C LEU A 45 -12.031 -1.803 -2.573 1.00 0.00 C ATOM 723 O LEU A 45 -12.532 -2.895 -2.826 1.00 0.00 O ATOM 724 CB LEU A 45 -14.291 -0.710 -2.721 1.00 0.00 C ATOM 725 CG LEU A 45 -14.806 -0.884 -1.294 1.00 0.00 C ATOM 726 CD1 LEU A 45 -14.599 0.391 -0.488 1.00 0.00 C ATOM 727 CD2 LEU A 45 -16.275 -1.281 -1.307 1.00 0.00 C ATOM 0 H LEU A 45 -12.972 -0.594 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.446 0.241 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -14.795 0.148 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -14.582 -1.586 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 45 -14.237 -1.682 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -14.973 0.245 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.536 0.630 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -15.140 1.211 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -16.628 -1.402 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -16.857 -0.504 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -16.393 -2.222 -1.845 1.00 0.00 H new ATOM 739 N TYR A 46 -10.820 -1.617 -2.050 1.00 0.00 N ATOM 740 CA TYR A 46 -9.915 -2.695 -1.602 1.00 0.00 C ATOM 741 C TYR A 46 -9.977 -3.945 -2.494 1.00 0.00 C ATOM 742 O TYR A 46 -10.832 -4.815 -2.332 1.00 0.00 O ATOM 743 CB TYR A 46 -10.118 -3.044 -0.110 1.00 0.00 C ATOM 744 CG TYR A 46 -11.516 -3.457 0.312 1.00 0.00 C ATOM 745 CD1 TYR A 46 -12.456 -2.509 0.687 1.00 0.00 C ATOM 746 CD2 TYR A 46 -11.882 -4.796 0.362 1.00 0.00 C ATOM 747 CE1 TYR A 46 -13.722 -2.883 1.093 1.00 0.00 C ATOM 748 CE2 TYR A 46 -13.146 -5.177 0.762 1.00 0.00 C ATOM 749 CZ TYR A 46 -14.062 -4.218 1.126 1.00 0.00 C ATOM 750 OH TYR A 46 -15.324 -4.598 1.532 1.00 0.00 O ATOM 0 H TYR A 46 -10.422 -0.687 -1.919 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.906 -2.297 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -9.433 -3.852 0.146 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.826 -2.178 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.194 -1.462 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.164 -5.553 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -14.442 -2.133 1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.415 -6.223 0.789 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.399 -5.574 1.496 1.00 0.00 H new ATOM 760 N GLU A 47 -9.060 -4.020 -3.448 1.00 0.00 N ATOM 761 CA GLU A 47 -9.022 -5.135 -4.383 1.00 0.00 C ATOM 762 C GLU A 47 -8.566 -6.430 -3.719 1.00 0.00 C ATOM 763 O GLU A 47 -8.078 -6.438 -2.592 1.00 0.00 O ATOM 764 CB GLU A 47 -8.112 -4.814 -5.568 1.00 0.00 C ATOM 765 CG GLU A 47 -8.839 -4.159 -6.726 1.00 0.00 C ATOM 766 CD GLU A 47 -9.888 -5.073 -7.327 1.00 0.00 C ATOM 767 OE1 GLU A 47 -9.510 -6.114 -7.913 1.00 0.00 O ATOM 768 OE2 GLU A 47 -11.092 -4.770 -7.202 1.00 0.00 O ATOM 0 H GLU A 47 -8.332 -3.321 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.042 -5.284 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.310 -4.156 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.644 -5.734 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.313 -3.239 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.119 -3.879 -7.495 1.00 0.00 H new ATOM 775 N LYS A 48 -8.731 -7.517 -4.454 1.00 0.00 N ATOM 776 CA LYS A 48 -8.385 -8.856 -3.989 1.00 0.00 C ATOM 777 C LYS A 48 -6.870 -9.047 -3.881 1.00 0.00 C ATOM 778 O LYS A 48 -6.351 -9.426 -2.830 1.00 0.00 O ATOM 779 CB LYS A 48 -8.992 -9.877 -4.956 1.00 0.00 C ATOM 780 CG LYS A 48 -8.941 -9.421 -6.412 1.00 0.00 C ATOM 781 CD LYS A 48 -9.758 -10.319 -7.321 1.00 0.00 C ATOM 782 CE LYS A 48 -9.950 -9.696 -8.698 1.00 0.00 C ATOM 783 NZ LYS A 48 -10.672 -8.398 -8.624 1.00 0.00 N ATOM 0 H LYS A 48 -9.112 -7.498 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.791 -9.000 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.460 -10.823 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.029 -10.064 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.312 -8.399 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.905 -9.409 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.261 -11.284 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.731 -10.508 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.978 -9.544 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.506 -10.385 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.309 -8.308 -9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.228 -8.360 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.985 -7.617 -8.633 1.00 0.00 H new ATOM 797 N THR A 49 -6.169 -8.787 -4.974 1.00 0.00 N ATOM 798 CA THR A 49 -4.727 -8.946 -5.013 1.00 0.00 C ATOM 799 C THR A 49 -4.060 -7.666 -5.495 1.00 0.00 C ATOM 800 O THR A 49 -4.417 -7.127 -6.544 1.00 0.00 O ATOM 801 CB THR A 49 -4.322 -10.119 -5.925 1.00 0.00 C ATOM 802 OG1 THR A 49 -5.197 -10.180 -7.064 1.00 0.00 O ATOM 803 CG2 THR A 49 -4.361 -11.440 -5.169 1.00 0.00 C ATOM 0 H THR A 49 -6.580 -8.463 -5.850 1.00 0.00 H new ATOM 0 HA THR A 49 -4.391 -9.163 -3.999 1.00 0.00 H new ATOM 0 HB THR A 49 -3.300 -9.950 -6.263 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.932 -10.927 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.071 -12.250 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.669 -11.398 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.371 -11.618 -4.800 1.00 0.00 H new ATOM 811 N PHE A 50 -3.098 -7.186 -4.725 1.00 0.00 N ATOM 812 CA PHE A 50 -2.400 -5.951 -5.051 1.00 0.00 C ATOM 813 C PHE A 50 -0.997 -6.235 -5.558 1.00 0.00 C ATOM 814 O PHE A 50 -0.220 -6.941 -4.913 1.00 0.00 O ATOM 815 CB PHE A 50 -2.326 -5.023 -3.834 1.00 0.00 C ATOM 816 CG PHE A 50 -3.624 -4.354 -3.491 1.00 0.00 C ATOM 817 CD1 PHE A 50 -4.580 -5.005 -2.731 1.00 0.00 C ATOM 818 CD2 PHE A 50 -3.882 -3.064 -3.923 1.00 0.00 C ATOM 819 CE1 PHE A 50 -5.768 -4.381 -2.406 1.00 0.00 C ATOM 820 CE2 PHE A 50 -5.069 -2.434 -3.603 1.00 0.00 C ATOM 821 CZ PHE A 50 -6.012 -3.095 -2.843 1.00 0.00 C ATOM 0 H PHE A 50 -2.781 -7.634 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.967 -5.456 -5.839 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.988 -5.599 -2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.573 -4.257 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.395 -6.012 -2.388 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.146 -2.544 -4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.505 -4.899 -1.811 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.258 -1.428 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.941 -2.606 -2.590 1.00 0.00 H new ATOM 831 N ASN A 51 -0.682 -5.688 -6.718 1.00 0.00 N ATOM 832 CA ASN A 51 0.657 -5.797 -7.272 1.00 0.00 C ATOM 833 C ASN A 51 1.513 -4.657 -6.728 1.00 0.00 C ATOM 834 O ASN A 51 1.604 -3.590 -7.335 1.00 0.00 O ATOM 835 CB ASN A 51 0.602 -5.757 -8.804 1.00 0.00 C ATOM 836 CG ASN A 51 1.901 -6.187 -9.463 1.00 0.00 C ATOM 837 OD1 ASN A 51 2.106 -7.370 -9.743 1.00 0.00 O ATOM 838 ND2 ASN A 51 2.780 -5.231 -9.723 1.00 0.00 N ATOM 0 H ASN A 51 -1.337 -5.162 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 51 1.101 -6.748 -6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.204 -6.405 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.357 -4.745 -9.126 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.667 -5.462 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.570 -4.264 -9.475 1.00 0.00 H new ATOM 845 N VAL A 52 2.098 -4.881 -5.562 1.00 0.00 N ATOM 846 CA VAL A 52 2.830 -3.844 -4.847 1.00 0.00 C ATOM 847 C VAL A 52 4.225 -3.659 -5.429 1.00 0.00 C ATOM 848 O VAL A 52 5.040 -4.585 -5.434 1.00 0.00 O ATOM 849 CB VAL A 52 2.947 -4.174 -3.341 1.00 0.00 C ATOM 850 CG1 VAL A 52 3.628 -3.041 -2.588 1.00 0.00 C ATOM 851 CG2 VAL A 52 1.575 -4.470 -2.747 1.00 0.00 C ATOM 0 H VAL A 52 2.080 -5.782 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 52 2.266 -2.918 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 52 3.564 -5.066 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.698 -3.297 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.629 -2.886 -2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.045 -2.127 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.679 -4.700 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.931 -3.599 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.132 -5.323 -3.261 1.00 0.00 H new ATOM 861 N GLU A 53 4.488 -2.462 -5.927 1.00 0.00 N ATOM 862 CA GLU A 53 5.776 -2.138 -6.508 1.00 0.00 C ATOM 863 C GLU A 53 6.365 -0.939 -5.803 1.00 0.00 C ATOM 864 O GLU A 53 5.804 0.158 -5.828 1.00 0.00 O ATOM 865 CB GLU A 53 5.617 -1.857 -8.007 1.00 0.00 C ATOM 866 CG GLU A 53 4.827 -2.927 -8.746 1.00 0.00 C ATOM 867 CD GLU A 53 4.352 -2.469 -10.111 1.00 0.00 C ATOM 868 OE1 GLU A 53 3.671 -1.423 -10.189 1.00 0.00 O ATOM 869 OE2 GLU A 53 4.665 -3.142 -11.115 1.00 0.00 O ATOM 0 H GLU A 53 3.818 -1.693 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 53 6.452 -2.984 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.121 -0.895 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.605 -1.769 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.448 -3.816 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.965 -3.216 -8.145 1.00 0.00 H new ATOM 876 N VAL A 54 7.492 -1.155 -5.158 1.00 0.00 N ATOM 877 CA VAL A 54 8.123 -0.109 -4.397 1.00 0.00 C ATOM 878 C VAL A 54 9.610 0.003 -4.745 1.00 0.00 C ATOM 879 O VAL A 54 10.420 -0.843 -4.372 1.00 0.00 O ATOM 880 CB VAL A 54 7.913 -0.320 -2.879 1.00 0.00 C ATOM 881 CG1 VAL A 54 8.483 -1.640 -2.396 1.00 0.00 C ATOM 882 CG2 VAL A 54 8.503 0.832 -2.113 1.00 0.00 C ATOM 0 H VAL A 54 7.986 -2.047 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 54 7.649 0.835 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 54 6.839 -0.358 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.310 -1.741 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.995 -2.461 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.554 -1.668 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.351 0.675 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.571 0.899 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.016 1.759 -2.417 1.00 0.00 H new ATOM 892 N PRO A 55 9.977 1.046 -5.506 1.00 0.00 N ATOM 893 CA PRO A 55 11.365 1.275 -5.923 1.00 0.00 C ATOM 894 C PRO A 55 12.286 1.632 -4.756 1.00 0.00 C ATOM 895 O PRO A 55 13.483 1.349 -4.794 1.00 0.00 O ATOM 896 CB PRO A 55 11.264 2.451 -6.898 1.00 0.00 C ATOM 897 CG PRO A 55 9.989 3.138 -6.548 1.00 0.00 C ATOM 898 CD PRO A 55 9.061 2.067 -6.051 1.00 0.00 C ATOM 0 HA PRO A 55 11.800 0.376 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.115 3.123 -6.794 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.255 2.106 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.153 3.897 -5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.569 3.646 -7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.382 2.446 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.444 1.665 -6.855 1.00 0.00 H new ATOM 906 N GLU A 56 11.720 2.245 -3.718 1.00 0.00 N ATOM 907 CA GLU A 56 12.505 2.667 -2.561 1.00 0.00 C ATOM 908 C GLU A 56 13.035 1.459 -1.796 1.00 0.00 C ATOM 909 O GLU A 56 14.206 1.413 -1.421 1.00 0.00 O ATOM 910 CB GLU A 56 11.669 3.546 -1.625 1.00 0.00 C ATOM 911 CG GLU A 56 12.472 4.114 -0.463 1.00 0.00 C ATOM 912 CD GLU A 56 11.631 4.909 0.511 1.00 0.00 C ATOM 913 OE1 GLU A 56 11.204 6.032 0.163 1.00 0.00 O ATOM 914 OE2 GLU A 56 11.399 4.420 1.633 1.00 0.00 O ATOM 0 H GLU A 56 10.725 2.460 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 56 13.350 3.250 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.238 4.368 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.838 2.960 -1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.957 3.296 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.264 4.753 -0.855 1.00 0.00 H new ATOM 921 N ARG A 57 12.171 0.479 -1.569 1.00 0.00 N ATOM 922 CA ARG A 57 12.566 -0.718 -0.839 1.00 0.00 C ATOM 923 C ARG A 57 13.030 -1.790 -1.815 1.00 0.00 C ATOM 924 O ARG A 57 13.497 -2.853 -1.408 1.00 0.00 O ATOM 925 CB ARG A 57 11.405 -1.245 0.007 1.00 0.00 C ATOM 926 CG ARG A 57 10.742 -0.186 0.877 1.00 0.00 C ATOM 927 CD ARG A 57 11.742 0.533 1.770 1.00 0.00 C ATOM 928 NE ARG A 57 12.351 -0.354 2.761 1.00 0.00 N ATOM 929 CZ ARG A 57 13.087 0.076 3.787 1.00 0.00 C ATOM 930 NH1 ARG A 57 13.305 1.374 3.956 1.00 0.00 N ATOM 931 NH2 ARG A 57 13.613 -0.792 4.643 1.00 0.00 N ATOM 0 H ARG A 57 11.199 0.488 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 57 13.388 -0.461 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.655 -1.679 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 57 11.770 -2.049 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.238 0.541 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.976 -0.654 1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.525 0.973 1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.241 1.354 2.282 1.00 0.00 H new ATOM 0 HE ARG A 57 12.205 -1.359 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.909 2.047 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.868 1.698 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.455 -1.792 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.175 -0.459 5.426 1.00 0.00 H new ATOM 945 N ASP A 58 12.904 -1.475 -3.104 1.00 0.00 N ATOM 946 CA ASP A 58 13.255 -2.386 -4.191 1.00 0.00 C ATOM 947 C ASP A 58 12.504 -3.706 -4.040 1.00 0.00 C ATOM 948 O ASP A 58 13.087 -4.746 -3.724 1.00 0.00 O ATOM 949 CB ASP A 58 14.768 -2.617 -4.245 1.00 0.00 C ATOM 950 CG ASP A 58 15.250 -2.941 -5.644 1.00 0.00 C ATOM 951 OD1 ASP A 58 15.466 -1.995 -6.433 1.00 0.00 O ATOM 952 OD2 ASP A 58 15.414 -4.134 -5.969 1.00 0.00 O ATOM 0 H ASP A 58 12.552 -0.573 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 58 12.957 -1.928 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.282 -1.727 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.033 -3.434 -3.573 1.00 0.00 H new ATOM 957 N LEU A 59 11.195 -3.648 -4.241 1.00 0.00 N ATOM 958 CA LEU A 59 10.336 -4.799 -4.025 1.00 0.00 C ATOM 959 C LEU A 59 9.223 -4.838 -5.070 1.00 0.00 C ATOM 960 O LEU A 59 8.481 -3.867 -5.233 1.00 0.00 O ATOM 961 CB LEU A 59 9.723 -4.720 -2.622 1.00 0.00 C ATOM 962 CG LEU A 59 9.724 -6.013 -1.804 1.00 0.00 C ATOM 963 CD1 LEU A 59 9.019 -5.785 -0.473 1.00 0.00 C ATOM 964 CD2 LEU A 59 9.061 -7.144 -2.571 1.00 0.00 C ATOM 0 H LEU A 59 10.705 -2.811 -4.555 1.00 0.00 H new ATOM 0 HA LEU A 59 10.932 -5.707 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.260 -3.958 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.693 -4.378 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 59 10.758 -6.300 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.023 -6.710 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.539 -5.006 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.990 -5.476 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.075 -8.051 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.029 -6.875 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.602 -7.319 -3.501 1.00 0.00 H new ATOM 976 N ALA A 60 9.131 -5.950 -5.785 1.00 0.00 N ATOM 977 CA ALA A 60 8.024 -6.201 -6.695 1.00 0.00 C ATOM 978 C ALA A 60 7.255 -7.422 -6.209 1.00 0.00 C ATOM 979 O ALA A 60 7.664 -8.562 -6.442 1.00 0.00 O ATOM 980 CB ALA A 60 8.528 -6.408 -8.115 1.00 0.00 C ATOM 0 H ALA A 60 9.820 -6.701 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 60 7.361 -5.336 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.683 -6.594 -8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.059 -5.516 -8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.204 -7.263 -8.140 1.00 0.00 H new ATOM 986 N PHE A 61 6.157 -7.183 -5.516 1.00 0.00 N ATOM 987 CA PHE A 61 5.470 -8.242 -4.794 1.00 0.00 C ATOM 988 C PHE A 61 3.962 -8.147 -4.952 1.00 0.00 C ATOM 989 O PHE A 61 3.371 -7.089 -4.775 1.00 0.00 O ATOM 990 CB PHE A 61 5.860 -8.161 -3.318 1.00 0.00 C ATOM 991 CG PHE A 61 4.988 -8.941 -2.379 1.00 0.00 C ATOM 992 CD1 PHE A 61 5.109 -10.315 -2.275 1.00 0.00 C ATOM 993 CD2 PHE A 61 4.058 -8.289 -1.585 1.00 0.00 C ATOM 994 CE1 PHE A 61 4.315 -11.025 -1.398 1.00 0.00 C ATOM 995 CE2 PHE A 61 3.265 -8.992 -0.705 1.00 0.00 C ATOM 996 CZ PHE A 61 3.392 -10.362 -0.613 1.00 0.00 C ATOM 0 H PHE A 61 5.720 -6.265 -5.437 1.00 0.00 H new ATOM 0 HA PHE A 61 5.772 -9.203 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.886 -8.513 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.848 -7.115 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.831 -10.837 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.954 -7.216 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.415 -12.098 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.546 -8.472 -0.089 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.769 -10.917 0.073 1.00 0.00 H new ATOM 1006 N ARG A 62 3.348 -9.268 -5.270 1.00 0.00 N ATOM 1007 CA ARG A 62 1.900 -9.331 -5.394 1.00 0.00 C ATOM 1008 C ARG A 62 1.304 -9.913 -4.123 1.00 0.00 C ATOM 1009 O ARG A 62 1.409 -11.113 -3.869 1.00 0.00 O ATOM 1010 CB ARG A 62 1.481 -10.166 -6.610 1.00 0.00 C ATOM 1011 CG ARG A 62 -0.023 -10.161 -6.856 1.00 0.00 C ATOM 1012 CD ARG A 62 -0.393 -10.897 -8.135 1.00 0.00 C ATOM 1013 NE ARG A 62 -0.152 -12.337 -8.049 1.00 0.00 N ATOM 1014 CZ ARG A 62 0.103 -13.111 -9.104 1.00 0.00 C ATOM 1015 NH1 ARG A 62 0.210 -12.574 -10.314 1.00 0.00 N ATOM 1016 NH2 ARG A 62 0.268 -14.419 -8.949 1.00 0.00 N ATOM 0 H ARG A 62 3.827 -10.151 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 62 1.522 -8.319 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.988 -9.784 -7.496 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.816 -11.194 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.530 -10.626 -6.011 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.378 -9.132 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.445 -10.722 -8.358 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.182 -10.486 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.181 -12.775 -7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.097 -11.568 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.405 -13.168 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.200 -14.835 -8.020 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.463 -15.008 -9.759 1.00 0.00 H new ATOM 1030 N GLY A 63 0.693 -9.059 -3.324 1.00 0.00 N ATOM 1031 CA GLY A 63 0.163 -9.487 -2.051 1.00 0.00 C ATOM 1032 C GLY A 63 -1.330 -9.696 -2.094 1.00 0.00 C ATOM 1033 O GLY A 63 -2.031 -9.070 -2.893 1.00 0.00 O ATOM 0 H GLY A 63 0.554 -8.071 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.649 -10.415 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.402 -8.742 -1.292 1.00 0.00 H new ATOM 1037 N GLU A 64 -1.817 -10.581 -1.244 1.00 0.00 N ATOM 1038 CA GLU A 64 -3.239 -10.848 -1.154 1.00 0.00 C ATOM 1039 C GLU A 64 -3.817 -10.131 0.056 1.00 0.00 C ATOM 1040 O GLU A 64 -3.153 -10.002 1.089 1.00 0.00 O ATOM 1041 CB GLU A 64 -3.496 -12.356 -1.075 1.00 0.00 C ATOM 1042 CG GLU A 64 -2.805 -13.044 0.095 1.00 0.00 C ATOM 1043 CD GLU A 64 -3.029 -14.544 0.113 1.00 0.00 C ATOM 1044 OE1 GLU A 64 -3.979 -15.019 -0.547 1.00 0.00 O ATOM 1045 OE2 GLU A 64 -2.258 -15.261 0.789 1.00 0.00 O ATOM 0 H GLU A 64 -1.244 -11.130 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.733 -10.473 -2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.570 -12.527 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.163 -12.820 -2.004 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.735 -12.842 0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.170 -12.616 1.029 1.00 0.00 H new ATOM 1052 N MET A 65 -5.031 -9.635 -0.072 1.00 0.00 N ATOM 1053 CA MET A 65 -5.653 -8.908 1.018 1.00 0.00 C ATOM 1054 C MET A 65 -6.406 -9.866 1.928 1.00 0.00 C ATOM 1055 O MET A 65 -7.372 -10.504 1.511 1.00 0.00 O ATOM 1056 CB MET A 65 -6.603 -7.834 0.491 1.00 0.00 C ATOM 1057 CG MET A 65 -6.574 -6.560 1.314 1.00 0.00 C ATOM 1058 SD MET A 65 -7.877 -5.404 0.866 1.00 0.00 S ATOM 1059 CE MET A 65 -7.540 -4.077 2.014 1.00 0.00 C ATOM 0 H MET A 65 -5.603 -9.720 -0.912 1.00 0.00 H new ATOM 0 HA MET A 65 -4.865 -8.417 1.589 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.341 -7.599 -0.541 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.619 -8.229 0.480 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.668 -6.814 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.606 -6.075 1.188 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.440 -3.478 2.152 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.231 -4.495 2.972 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.743 -3.448 1.619 1.00 0.00 H new ATOM 1069 N THR A 66 -5.947 -9.984 3.165 1.00 0.00 N ATOM 1070 CA THR A 66 -6.611 -10.827 4.145 1.00 0.00 C ATOM 1071 C THR A 66 -7.730 -10.052 4.827 1.00 0.00 C ATOM 1072 O THR A 66 -8.581 -10.622 5.509 1.00 0.00 O ATOM 1073 CB THR A 66 -5.617 -11.331 5.207 1.00 0.00 C ATOM 1074 OG1 THR A 66 -4.996 -10.213 5.859 1.00 0.00 O ATOM 1075 CG2 THR A 66 -4.551 -12.215 4.575 1.00 0.00 C ATOM 0 H THR A 66 -5.116 -9.506 3.513 1.00 0.00 H new ATOM 0 HA THR A 66 -7.026 -11.688 3.621 1.00 0.00 H new ATOM 0 HB THR A 66 -6.166 -11.923 5.940 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.768 -10.457 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.860 -12.559 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.025 -13.075 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.003 -11.645 3.825 1.00 0.00 H new ATOM 1083 N ASN A 67 -7.715 -8.743 4.620 1.00 0.00 N ATOM 1084 CA ASN A 67 -8.702 -7.853 5.207 1.00 0.00 C ATOM 1085 C ASN A 67 -10.063 -8.038 4.547 1.00 0.00 C ATOM 1086 O ASN A 67 -10.259 -7.667 3.389 1.00 0.00 O ATOM 1087 CB ASN A 67 -8.250 -6.400 5.058 1.00 0.00 C ATOM 1088 CG ASN A 67 -9.273 -5.412 5.583 1.00 0.00 C ATOM 1089 OD1 ASN A 67 -9.982 -5.684 6.552 1.00 0.00 O ATOM 1090 ND2 ASN A 67 -9.378 -4.267 4.925 1.00 0.00 N ATOM 0 H ASN A 67 -7.020 -8.271 4.042 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.795 -8.098 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.309 -6.260 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.055 -6.190 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.066 -3.572 5.217 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.771 -4.080 4.127 1.00 0.00 H new ATOM 1097 N TYR A 68 -10.999 -8.617 5.283 1.00 0.00 N ATOM 1098 CA TYR A 68 -12.359 -8.785 4.790 1.00 0.00 C ATOM 1099 C TYR A 68 -13.165 -7.503 4.994 1.00 0.00 C ATOM 1100 O TYR A 68 -14.329 -7.425 4.602 1.00 0.00 O ATOM 1101 CB TYR A 68 -13.041 -9.967 5.486 1.00 0.00 C ATOM 1102 CG TYR A 68 -12.439 -11.307 5.123 1.00 0.00 C ATOM 1103 CD1 TYR A 68 -12.734 -11.907 3.906 1.00 0.00 C ATOM 1104 CD2 TYR A 68 -11.578 -11.970 5.990 1.00 0.00 C ATOM 1105 CE1 TYR A 68 -12.188 -13.128 3.561 1.00 0.00 C ATOM 1106 CE2 TYR A 68 -11.027 -13.192 5.650 1.00 0.00 C ATOM 1107 CZ TYR A 68 -11.335 -13.768 4.435 1.00 0.00 C ATOM 1108 OH TYR A 68 -10.789 -14.985 4.093 1.00 0.00 O ATOM 0 H TYR A 68 -10.843 -8.979 6.224 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.314 -8.996 3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -12.978 -9.829 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.100 -9.970 5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.402 -11.411 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.336 -11.524 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.428 -13.580 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.358 -13.694 6.333 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.210 -15.299 4.818 1.00 0.00 H new ATOM 1118 N SER A 69 -12.522 -6.512 5.612 1.00 0.00 N ATOM 1119 CA SER A 69 -13.105 -5.191 5.824 1.00 0.00 C ATOM 1120 C SER A 69 -14.291 -5.245 6.779 1.00 0.00 C ATOM 1121 O SER A 69 -15.444 -5.354 6.365 1.00 0.00 O ATOM 1122 CB SER A 69 -13.513 -4.555 4.490 1.00 0.00 C ATOM 1123 OG SER A 69 -13.987 -3.225 4.663 1.00 0.00 O ATOM 0 H SER A 69 -11.576 -6.606 5.981 1.00 0.00 H new ATOM 0 HA SER A 69 -12.339 -4.567 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.659 -4.551 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.289 -5.160 4.021 1.00 0.00 H new ATOM 0 HG SER A 69 -14.044 -2.782 3.791 1.00 0.00 H new ATOM 1129 N THR A 70 -13.991 -5.201 8.064 1.00 0.00 N ATOM 1130 CA THR A 70 -15.018 -5.054 9.077 1.00 0.00 C ATOM 1131 C THR A 70 -15.039 -3.608 9.559 1.00 0.00 C ATOM 1132 O THR A 70 -16.046 -3.112 10.065 1.00 0.00 O ATOM 1133 CB THR A 70 -14.769 -6.003 10.264 1.00 0.00 C ATOM 1134 OG1 THR A 70 -14.456 -7.313 9.770 1.00 0.00 O ATOM 1135 CG2 THR A 70 -15.995 -6.079 11.164 1.00 0.00 C ATOM 0 H THR A 70 -13.041 -5.265 8.431 1.00 0.00 H new ATOM 0 HA THR A 70 -15.982 -5.314 8.640 1.00 0.00 H new ATOM 0 HB THR A 70 -13.934 -5.616 10.848 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.296 -7.917 10.525 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.795 -6.755 11.995 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.224 -5.086 11.551 1.00 0.00 H new ATOM 0 HG23 THR A 70 -16.845 -6.450 10.591 1.00 0.00 H new ATOM 1143 N SER A 71 -13.909 -2.936 9.385 1.00 0.00 N ATOM 1144 CA SER A 71 -13.799 -1.529 9.717 1.00 0.00 C ATOM 1145 C SER A 71 -14.225 -0.681 8.522 1.00 0.00 C ATOM 1146 O SER A 71 -14.180 -1.139 7.375 1.00 0.00 O ATOM 1147 CB SER A 71 -12.362 -1.190 10.132 1.00 0.00 C ATOM 1148 OG SER A 71 -12.250 0.158 10.558 1.00 0.00 O ATOM 0 H SER A 71 -13.053 -3.349 9.014 1.00 0.00 H new ATOM 0 HA SER A 71 -14.458 -1.310 10.557 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.048 -1.855 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.689 -1.365 9.293 1.00 0.00 H new ATOM 0 HG SER A 71 -11.323 0.343 10.818 1.00 0.00 H new ATOM 1303 N SER A 82 -12.060 11.173 5.844 1.00 0.00 N ATOM 1304 CA SER A 82 -12.238 9.740 5.726 1.00 0.00 C ATOM 1305 C SER A 82 -10.879 9.094 5.465 1.00 0.00 C ATOM 1306 O SER A 82 -10.176 9.459 4.529 1.00 0.00 O ATOM 1307 CB SER A 82 -13.228 9.411 4.605 1.00 0.00 C ATOM 1308 OG SER A 82 -14.397 10.212 4.704 1.00 0.00 O ATOM 0 HA SER A 82 -12.651 9.344 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.753 9.573 3.637 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.500 8.357 4.654 1.00 0.00 H new ATOM 0 HG SER A 82 -14.158 11.098 5.048 1.00 0.00 H new ATOM 1314 N GLU A 83 -10.498 8.157 6.305 1.00 0.00 N ATOM 1315 CA GLU A 83 -9.165 7.586 6.239 1.00 0.00 C ATOM 1316 C GLU A 83 -9.227 6.112 5.846 1.00 0.00 C ATOM 1317 O GLU A 83 -9.442 5.243 6.683 1.00 0.00 O ATOM 1318 CB GLU A 83 -8.479 7.800 7.588 1.00 0.00 C ATOM 1319 CG GLU A 83 -8.309 9.275 7.928 1.00 0.00 C ATOM 1320 CD GLU A 83 -7.988 9.525 9.387 1.00 0.00 C ATOM 1321 OE1 GLU A 83 -8.916 9.445 10.221 1.00 0.00 O ATOM 1322 OE2 GLU A 83 -6.815 9.821 9.701 1.00 0.00 O ATOM 0 H GLU A 83 -11.089 7.773 7.042 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.578 8.083 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.063 7.315 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.501 7.318 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.512 9.692 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.224 9.807 7.669 1.00 0.00 H new ATOM 1329 N PHE A 84 -9.041 5.845 4.554 1.00 0.00 N ATOM 1330 CA PHE A 84 -9.251 4.509 3.992 1.00 0.00 C ATOM 1331 C PHE A 84 -8.352 3.467 4.642 1.00 0.00 C ATOM 1332 O PHE A 84 -7.150 3.675 4.811 1.00 0.00 O ATOM 1333 CB PHE A 84 -9.031 4.514 2.479 1.00 0.00 C ATOM 1334 CG PHE A 84 -10.253 4.120 1.697 1.00 0.00 C ATOM 1335 CD1 PHE A 84 -11.367 4.938 1.685 1.00 0.00 C ATOM 1336 CD2 PHE A 84 -10.290 2.933 0.984 1.00 0.00 C ATOM 1337 CE1 PHE A 84 -12.496 4.592 0.976 1.00 0.00 C ATOM 1338 CE2 PHE A 84 -11.419 2.575 0.271 1.00 0.00 C ATOM 1339 CZ PHE A 84 -12.524 3.407 0.266 1.00 0.00 C ATOM 0 H PHE A 84 -8.743 6.542 3.871 1.00 0.00 H new ATOM 0 HA PHE A 84 -10.285 4.237 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.715 5.510 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -8.217 3.831 2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.352 5.864 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.429 2.281 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.356 5.245 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -11.438 1.647 -0.281 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.407 3.131 -0.292 1.00 0.00 H new ATOM 1349 N TYR A 85 -8.962 2.345 4.989 1.00 0.00 N ATOM 1350 CA TYR A 85 -8.282 1.252 5.661 1.00 0.00 C ATOM 1351 C TYR A 85 -7.929 0.147 4.666 1.00 0.00 C ATOM 1352 O TYR A 85 -8.770 -0.681 4.308 1.00 0.00 O ATOM 1353 CB TYR A 85 -9.186 0.736 6.797 1.00 0.00 C ATOM 1354 CG TYR A 85 -8.862 -0.645 7.331 1.00 0.00 C ATOM 1355 CD1 TYR A 85 -7.555 -1.052 7.569 1.00 0.00 C ATOM 1356 CD2 TYR A 85 -9.885 -1.536 7.614 1.00 0.00 C ATOM 1357 CE1 TYR A 85 -7.280 -2.312 8.069 1.00 0.00 C ATOM 1358 CE2 TYR A 85 -9.622 -2.794 8.112 1.00 0.00 C ATOM 1359 CZ TYR A 85 -8.316 -3.177 8.340 1.00 0.00 C ATOM 1360 OH TYR A 85 -8.050 -4.432 8.838 1.00 0.00 O ATOM 0 H TYR A 85 -9.950 2.167 4.810 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.342 1.600 6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -9.136 1.444 7.624 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.216 0.733 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.741 -0.374 7.360 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.909 -1.239 7.441 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.259 -2.615 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.433 -3.476 8.322 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.547 -5.101 8.322 1.00 0.00 H new ATOM 1370 N ILE A 86 -6.687 0.162 4.193 1.00 0.00 N ATOM 1371 CA ILE A 86 -6.213 -0.859 3.270 1.00 0.00 C ATOM 1372 C ILE A 86 -5.052 -1.645 3.889 1.00 0.00 C ATOM 1373 O ILE A 86 -3.913 -1.182 3.891 1.00 0.00 O ATOM 1374 CB ILE A 86 -5.748 -0.244 1.933 1.00 0.00 C ATOM 1375 CG1 ILE A 86 -6.832 0.664 1.330 1.00 0.00 C ATOM 1376 CG2 ILE A 86 -5.381 -1.351 0.958 1.00 0.00 C ATOM 1377 CD1 ILE A 86 -8.108 -0.064 0.966 1.00 0.00 C ATOM 0 H ILE A 86 -5.993 0.869 4.434 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.050 -1.529 3.074 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.869 0.372 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.067 1.455 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.433 1.146 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.053 -0.912 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.575 -1.953 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.251 -1.983 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.824 0.643 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.888 -0.837 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.532 -0.523 1.859 1.00 0.00 H new ATOM 1389 N GLU A 87 -5.350 -2.822 4.432 1.00 0.00 N ATOM 1390 CA GLU A 87 -4.327 -3.659 5.049 1.00 0.00 C ATOM 1391 C GLU A 87 -4.014 -4.866 4.166 1.00 0.00 C ATOM 1392 O GLU A 87 -4.873 -5.717 3.924 1.00 0.00 O ATOM 1393 CB GLU A 87 -4.776 -4.113 6.443 1.00 0.00 C ATOM 1394 CG GLU A 87 -3.740 -4.946 7.182 1.00 0.00 C ATOM 1395 CD GLU A 87 -4.080 -5.137 8.648 1.00 0.00 C ATOM 1396 OE1 GLU A 87 -4.909 -6.014 8.963 1.00 0.00 O ATOM 1397 OE2 GLU A 87 -3.514 -4.408 9.496 1.00 0.00 O ATOM 0 H GLU A 87 -6.290 -3.217 4.457 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.417 -3.068 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.015 -3.234 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.694 -4.693 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.655 -5.921 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.766 -4.464 7.099 1.00 0.00 H new ATOM 1404 N ILE A 88 -2.784 -4.917 3.677 1.00 0.00 N ATOM 1405 CA ILE A 88 -2.339 -5.993 2.801 1.00 0.00 C ATOM 1406 C ILE A 88 -1.421 -6.937 3.568 1.00 0.00 C ATOM 1407 O ILE A 88 -0.732 -6.522 4.501 1.00 0.00 O ATOM 1408 CB ILE A 88 -1.583 -5.436 1.573 1.00 0.00 C ATOM 1409 CG1 ILE A 88 -2.327 -4.232 0.985 1.00 0.00 C ATOM 1410 CG2 ILE A 88 -1.404 -6.520 0.513 1.00 0.00 C ATOM 1411 CD1 ILE A 88 -3.726 -4.542 0.511 1.00 0.00 C ATOM 0 H ILE A 88 -2.068 -4.218 3.874 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.221 -6.531 2.453 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.596 -5.108 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.376 -3.446 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.751 -3.836 0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.870 -6.107 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.833 -7.348 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.382 -6.879 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.183 -3.638 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.686 -5.304 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.321 -4.908 1.348 1.00 0.00 H new ATOM 1423 N THR A 89 -1.418 -8.201 3.183 1.00 0.00 N ATOM 1424 CA THR A 89 -0.594 -9.190 3.847 1.00 0.00 C ATOM 1425 C THR A 89 0.265 -9.935 2.828 1.00 0.00 C ATOM 1426 O THR A 89 -0.140 -10.106 1.674 1.00 0.00 O ATOM 1427 CB THR A 89 -1.470 -10.196 4.622 1.00 0.00 C ATOM 1428 OG1 THR A 89 -2.438 -9.485 5.403 1.00 0.00 O ATOM 1429 CG2 THR A 89 -0.629 -11.073 5.540 1.00 0.00 C ATOM 0 H THR A 89 -1.979 -8.565 2.413 1.00 0.00 H new ATOM 0 HA THR A 89 0.056 -8.672 4.553 1.00 0.00 H new ATOM 0 HB THR A 89 -1.969 -10.839 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.286 -9.976 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.277 -11.770 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.096 -11.631 4.947 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.103 -10.446 6.260 1.00 0.00 H new ATOM 1437 N GLU A 90 1.459 -10.332 3.250 1.00 0.00 N ATOM 1438 CA GLU A 90 2.333 -11.157 2.431 1.00 0.00 C ATOM 1439 C GLU A 90 1.604 -12.436 2.036 1.00 0.00 C ATOM 1440 O GLU A 90 1.058 -13.136 2.890 1.00 0.00 O ATOM 1441 CB GLU A 90 3.618 -11.473 3.203 1.00 0.00 C ATOM 1442 CG GLU A 90 4.701 -12.156 2.378 1.00 0.00 C ATOM 1443 CD GLU A 90 6.012 -12.276 3.133 1.00 0.00 C ATOM 1444 OE1 GLU A 90 6.048 -11.907 4.327 1.00 0.00 O ATOM 1445 OE2 GLU A 90 7.017 -12.725 2.535 1.00 0.00 O ATOM 0 H GLU A 90 1.845 -10.092 4.163 1.00 0.00 H new ATOM 0 HA GLU A 90 2.603 -10.619 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.020 -10.545 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.369 -12.111 4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.360 -13.149 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.864 -11.593 1.459 1.00 0.00 H new ATOM 1452 N ILE A 91 1.574 -12.709 0.739 1.00 0.00 N ATOM 1453 CA ILE A 91 0.826 -13.839 0.203 1.00 0.00 C ATOM 1454 C ILE A 91 1.345 -15.164 0.750 1.00 0.00 C ATOM 1455 O ILE A 91 2.551 -15.416 0.775 1.00 0.00 O ATOM 1456 CB ILE A 91 0.879 -13.870 -1.344 1.00 0.00 C ATOM 1457 CG1 ILE A 91 0.170 -15.119 -1.874 1.00 0.00 C ATOM 1458 CG2 ILE A 91 2.319 -13.818 -1.841 1.00 0.00 C ATOM 1459 CD1 ILE A 91 0.274 -15.294 -3.371 1.00 0.00 C ATOM 0 H ILE A 91 2.063 -12.159 0.033 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.208 -13.707 0.521 1.00 0.00 H new ATOM 0 HB ILE A 91 0.361 -12.989 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.590 -15.998 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.883 -15.073 -1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.329 -13.841 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.791 -12.899 -1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.868 -14.677 -1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.253 -16.200 -3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.173 -14.434 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.323 -15.374 -3.656 1.00 0.00 H new ATOM 1471 N ASP A 92 0.427 -16.006 1.195 1.00 0.00 N ATOM 1472 CA ASP A 92 0.787 -17.339 1.644 1.00 0.00 C ATOM 1473 C ASP A 92 0.362 -18.358 0.612 1.00 0.00 C ATOM 1474 O ASP A 92 -0.514 -18.101 -0.216 1.00 0.00 O ATOM 1475 CB ASP A 92 0.139 -17.698 2.981 1.00 0.00 C ATOM 1476 CG ASP A 92 0.581 -16.813 4.124 1.00 0.00 C ATOM 1477 OD1 ASP A 92 1.678 -17.049 4.668 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -0.177 -15.894 4.504 1.00 0.00 O ATOM 0 H ASP A 92 -0.568 -15.791 1.255 1.00 0.00 H new ATOM 0 HA ASP A 92 1.869 -17.349 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.944 -17.632 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.374 -18.734 3.223 1.00 0.00 H new