USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 80 THR OG1 : rot -170:sc= 0.398 USER MOD Set 1.2: A 91 THR OG1 : rot -180:sc= 0.676 USER MOD Single : A 3 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-0.77) USER MOD Single : A 5 THR OG1 : rot -172:sc= 1.29 USER MOD Single : A 9 CYS SG : rot 109:sc= 1.5 USER MOD Single : A 11 MET CE :methyl -171:sc= 0 (180deg=-0.0296) USER MOD Single : A 12 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 13 MET CE :methyl 149:sc= -5.07! (180deg=-6.85!) USER MOD Single : A 25 TYR OH : rot -179:sc= 0.666 USER MOD Single : A 36 CYS SG : rot -96:sc= 1.47 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0106 (180deg=-0.172) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.07 (180deg=1.05) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 71:sc= 0.652 USER MOD Single : A 73 GLN : amide:sc= -4.22! K(o=-4.2!,f=-0.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 177:sc= -0.709 (180deg=-0.724) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.243 X(o=0.24,f=-0.0084) USER MOD Single : A 92 LYS NZ :NH3+ -148:sc= 0.807 (180deg=0.0592) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -156:sc=-0.00216 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 165:sc= 0 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 3 12.548 15.309 1.635 1.00 0.00 N ATOM 16 CA HIS A 3 11.583 16.359 1.349 1.00 0.00 C ATOM 17 C HIS A 3 10.167 15.760 1.313 1.00 0.00 C ATOM 18 O HIS A 3 10.022 14.563 1.057 1.00 0.00 O ATOM 19 CB HIS A 3 11.980 17.028 0.021 1.00 0.00 C ATOM 20 CG HIS A 3 11.966 16.129 -1.198 1.00 0.00 C ATOM 21 ND1 HIS A 3 12.917 15.191 -1.550 1.00 0.00 N ATOM 22 CD2 HIS A 3 11.050 16.177 -2.214 1.00 0.00 C ATOM 23 CE1 HIS A 3 12.574 14.683 -2.745 1.00 0.00 C ATOM 24 NE2 HIS A 3 11.449 15.264 -3.196 1.00 0.00 N ATOM 0 HA HIS A 3 11.582 17.122 2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.304 17.864 -0.159 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.981 17.445 0.131 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.174 16.808 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 3 13.124 13.916 -3.270 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.978 15.076 -4.081 1.00 0.00 H new ATOM 32 N PRO A 4 9.107 16.556 1.540 1.00 0.00 N ATOM 33 CA PRO A 4 7.741 16.109 1.307 1.00 0.00 C ATOM 34 C PRO A 4 7.531 15.942 -0.197 1.00 0.00 C ATOM 35 O PRO A 4 8.000 16.782 -0.974 1.00 0.00 O ATOM 36 CB PRO A 4 6.853 17.214 1.876 1.00 0.00 C ATOM 37 CG PRO A 4 7.712 18.465 1.724 1.00 0.00 C ATOM 38 CD PRO A 4 9.130 17.950 1.949 1.00 0.00 C ATOM 0 HA PRO A 4 7.513 15.152 1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.916 17.300 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.595 17.027 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.599 18.912 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.442 19.229 2.453 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.852 18.519 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.421 18.047 2.995 1.00 0.00 H new ATOM 46 N THR A 5 6.801 14.904 -0.595 1.00 0.00 N ATOM 47 CA THR A 5 6.574 14.539 -1.988 1.00 0.00 C ATOM 48 C THR A 5 5.071 14.487 -2.285 1.00 0.00 C ATOM 49 O THR A 5 4.245 14.606 -1.379 1.00 0.00 O ATOM 50 CB THR A 5 7.296 13.213 -2.293 1.00 0.00 C ATOM 51 OG1 THR A 5 6.915 12.221 -1.372 1.00 0.00 O ATOM 52 CG2 THR A 5 8.816 13.334 -2.210 1.00 0.00 C ATOM 0 H THR A 5 6.338 14.276 0.062 1.00 0.00 H new ATOM 0 HA THR A 5 6.992 15.296 -2.651 1.00 0.00 H new ATOM 0 HB THR A 5 7.009 12.950 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.476 11.427 -1.496 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.271 12.369 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.162 14.075 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.102 13.645 -1.205 1.00 0.00 H new ATOM 60 N GLU A 6 4.709 14.307 -3.556 1.00 0.00 N ATOM 61 CA GLU A 6 3.315 14.207 -3.989 1.00 0.00 C ATOM 62 C GLU A 6 2.655 12.885 -3.531 1.00 0.00 C ATOM 63 O GLU A 6 1.442 12.740 -3.676 1.00 0.00 O ATOM 64 CB GLU A 6 3.235 14.333 -5.526 1.00 0.00 C ATOM 65 CG GLU A 6 3.844 15.599 -6.174 1.00 0.00 C ATOM 66 CD GLU A 6 2.840 16.722 -6.493 1.00 0.00 C ATOM 67 OE1 GLU A 6 1.999 16.547 -7.405 1.00 0.00 O ATOM 68 OE2 GLU A 6 2.947 17.827 -5.902 1.00 0.00 O ATOM 0 H GLU A 6 5.380 14.226 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 6 2.765 15.024 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.728 13.463 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.185 14.281 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.609 15.997 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.346 15.309 -7.097 1.00 0.00 H new ATOM 75 N VAL A 7 3.404 11.915 -2.983 1.00 0.00 N ATOM 76 CA VAL A 7 2.887 10.581 -2.662 1.00 0.00 C ATOM 77 C VAL A 7 2.602 10.430 -1.162 1.00 0.00 C ATOM 78 O VAL A 7 2.758 11.386 -0.395 1.00 0.00 O ATOM 79 CB VAL A 7 3.785 9.475 -3.274 1.00 0.00 C ATOM 80 CG1 VAL A 7 4.141 9.760 -4.739 1.00 0.00 C ATOM 81 CG2 VAL A 7 5.076 9.160 -2.546 1.00 0.00 C ATOM 0 H VAL A 7 4.389 12.038 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 7 1.914 10.453 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 7 3.145 8.599 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.771 8.958 -5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.227 9.819 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.678 10.706 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.609 8.371 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.698 10.054 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.851 8.828 -1.533 1.00 0.00 H new ATOM 91 N LEU A 8 2.200 9.237 -0.719 1.00 0.00 N ATOM 92 CA LEU A 8 2.252 8.796 0.673 1.00 0.00 C ATOM 93 C LEU A 8 2.555 7.291 0.715 1.00 0.00 C ATOM 94 O LEU A 8 2.224 6.588 -0.239 1.00 0.00 O ATOM 95 CB LEU A 8 0.899 9.112 1.342 1.00 0.00 C ATOM 96 CG LEU A 8 0.973 9.278 2.874 1.00 0.00 C ATOM 97 CD1 LEU A 8 1.906 10.414 3.314 1.00 0.00 C ATOM 98 CD2 LEU A 8 -0.417 9.598 3.432 1.00 0.00 C ATOM 0 H LEU A 8 1.816 8.528 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 8 3.041 9.318 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.497 10.027 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.196 8.313 1.108 1.00 0.00 H new ATOM 0 HG LEU A 8 1.362 8.335 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.913 10.478 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.916 10.215 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.552 11.357 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.357 9.714 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.783 10.524 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.102 8.785 3.192 1.00 0.00 H new ATOM 110 N CYS A 9 3.130 6.772 1.807 1.00 0.00 N ATOM 111 CA CYS A 9 3.393 5.348 2.007 1.00 0.00 C ATOM 112 C CYS A 9 2.939 4.934 3.402 1.00 0.00 C ATOM 113 O CYS A 9 3.040 5.708 4.356 1.00 0.00 O ATOM 114 CB CYS A 9 4.887 5.062 1.789 1.00 0.00 C ATOM 115 SG CYS A 9 5.301 3.317 2.079 1.00 0.00 S ATOM 0 H CYS A 9 3.431 7.348 2.593 1.00 0.00 H new ATOM 0 HA CYS A 9 2.830 4.760 1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.162 5.335 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.477 5.689 2.457 1.00 0.00 H new ATOM 0 HG CYS A 9 5.565 2.739 0.945 1.00 0.00 H new ATOM 121 N LEU A 10 2.400 3.722 3.497 1.00 0.00 N ATOM 122 CA LEU A 10 1.724 3.170 4.643 1.00 0.00 C ATOM 123 C LEU A 10 2.292 1.785 4.959 1.00 0.00 C ATOM 124 O LEU A 10 2.717 1.053 4.061 1.00 0.00 O ATOM 125 CB LEU A 10 0.244 3.017 4.286 1.00 0.00 C ATOM 126 CG LEU A 10 -0.486 4.220 3.656 1.00 0.00 C ATOM 127 CD1 LEU A 10 -0.455 5.474 4.530 1.00 0.00 C ATOM 128 CD2 LEU A 10 -0.183 4.550 2.189 1.00 0.00 C ATOM 0 H LEU A 10 2.432 3.064 2.718 1.00 0.00 H new ATOM 0 HA LEU A 10 1.857 3.823 5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.154 2.176 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.290 2.743 5.196 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.508 3.843 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.987 6.282 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.935 5.264 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.579 5.772 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.767 5.418 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.879 4.770 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.445 3.697 1.563 1.00 0.00 H new ATOM 140 N MET A 11 2.219 1.377 6.225 1.00 0.00 N ATOM 141 CA MET A 11 2.644 0.061 6.703 1.00 0.00 C ATOM 142 C MET A 11 1.565 -0.550 7.602 1.00 0.00 C ATOM 143 O MET A 11 0.694 0.167 8.104 1.00 0.00 O ATOM 144 CB MET A 11 3.964 0.204 7.480 1.00 0.00 C ATOM 145 CG MET A 11 5.163 0.566 6.594 1.00 0.00 C ATOM 146 SD MET A 11 6.573 1.234 7.516 1.00 0.00 S ATOM 147 CE MET A 11 5.974 2.928 7.780 1.00 0.00 C ATOM 0 H MET A 11 1.852 1.970 6.969 1.00 0.00 H new ATOM 0 HA MET A 11 2.797 -0.600 5.850 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.844 0.971 8.245 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.175 -0.732 7.997 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.484 -0.323 6.050 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.847 1.298 5.850 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.777 3.538 8.194 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.650 3.352 6.829 1.00 0.00 H new ATOM 0 HE3 MET A 11 5.135 2.913 8.475 1.00 0.00 H new ATOM 157 N ASN A 12 1.682 -1.862 7.854 1.00 0.00 N ATOM 158 CA ASN A 12 0.869 -2.740 8.718 1.00 0.00 C ATOM 159 C ASN A 12 -0.497 -3.119 8.136 1.00 0.00 C ATOM 160 O ASN A 12 -1.180 -3.953 8.726 1.00 0.00 O ATOM 161 CB ASN A 12 0.621 -2.168 10.128 1.00 0.00 C ATOM 162 CG ASN A 12 1.859 -1.754 10.898 1.00 0.00 C ATOM 163 OD1 ASN A 12 2.884 -2.428 10.915 1.00 0.00 O ATOM 164 ND2 ASN A 12 1.789 -0.616 11.567 1.00 0.00 N ATOM 0 H ASN A 12 2.430 -2.395 7.410 1.00 0.00 H new ATOM 0 HA ASN A 12 1.492 -3.632 8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.035 -1.302 10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.085 -2.915 10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.592 -0.290 12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.932 -0.064 11.546 1.00 0.00 H new ATOM 171 N MET A 13 -0.932 -2.522 7.020 1.00 0.00 N ATOM 172 CA MET A 13 -2.283 -2.779 6.521 1.00 0.00 C ATOM 173 C MET A 13 -2.435 -4.187 5.944 1.00 0.00 C ATOM 174 O MET A 13 -3.488 -4.798 6.107 1.00 0.00 O ATOM 175 CB MET A 13 -2.694 -1.725 5.492 1.00 0.00 C ATOM 176 CG MET A 13 -4.222 -1.663 5.316 1.00 0.00 C ATOM 177 SD MET A 13 -5.309 -1.813 6.779 1.00 0.00 S ATOM 178 CE MET A 13 -4.576 -0.546 7.825 1.00 0.00 C ATOM 0 H MET A 13 -0.381 -1.873 6.458 1.00 0.00 H new ATOM 0 HA MET A 13 -2.954 -2.712 7.378 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.324 -0.748 5.804 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.227 -1.951 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.456 -0.715 4.832 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.502 -2.454 4.620 1.00 0.00 H new ATOM 0 HE1 MET A 13 -5.347 -0.107 8.458 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.803 -0.993 8.450 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.134 0.230 7.201 1.00 0.00 H new ATOM 188 N VAL A 14 -1.399 -4.699 5.270 1.00 0.00 N ATOM 189 CA VAL A 14 -1.464 -5.938 4.502 1.00 0.00 C ATOM 190 C VAL A 14 -0.263 -6.813 4.830 1.00 0.00 C ATOM 191 O VAL A 14 0.809 -6.316 5.209 1.00 0.00 O ATOM 192 CB VAL A 14 -1.587 -5.647 2.993 1.00 0.00 C ATOM 193 CG1 VAL A 14 -2.943 -5.005 2.689 1.00 0.00 C ATOM 194 CG2 VAL A 14 -0.468 -4.741 2.454 1.00 0.00 C ATOM 0 H VAL A 14 -0.481 -4.255 5.245 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.361 -6.489 4.784 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.495 -6.609 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.019 -4.804 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.742 -5.683 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.035 -4.070 3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.615 -4.577 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.492 -3.784 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.498 -5.219 2.618 1.00 0.00 H new ATOM 204 N LEU A 15 -0.451 -8.124 4.682 1.00 0.00 N ATOM 205 CA LEU A 15 0.546 -9.133 4.999 1.00 0.00 C ATOM 206 C LEU A 15 1.030 -9.742 3.681 1.00 0.00 C ATOM 207 O LEU A 15 0.258 -9.790 2.722 1.00 0.00 O ATOM 208 CB LEU A 15 -0.047 -10.246 5.893 1.00 0.00 C ATOM 209 CG LEU A 15 -1.007 -9.838 7.029 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.281 -11.065 7.908 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.468 -8.724 7.930 1.00 0.00 C ATOM 0 H LEU A 15 -1.323 -8.518 4.330 1.00 0.00 H new ATOM 0 HA LEU A 15 1.368 -8.671 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.576 -10.946 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.784 -10.791 6.340 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.908 -9.457 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.959 -10.790 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.736 -11.851 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.343 -11.428 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.201 -8.495 8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.461 -9.051 8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.280 -7.832 7.333 1.00 0.00 H new ATOM 223 N PRO A 16 2.241 -10.318 3.633 1.00 0.00 N ATOM 224 CA PRO A 16 2.726 -11.062 2.469 1.00 0.00 C ATOM 225 C PRO A 16 1.954 -12.371 2.227 1.00 0.00 C ATOM 226 O PRO A 16 2.213 -13.071 1.251 1.00 0.00 O ATOM 227 CB PRO A 16 4.210 -11.315 2.760 1.00 0.00 C ATOM 228 CG PRO A 16 4.270 -11.355 4.285 1.00 0.00 C ATOM 229 CD PRO A 16 3.249 -10.294 4.679 1.00 0.00 C ATOM 0 HA PRO A 16 2.576 -10.498 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.552 -12.252 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.840 -10.523 2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.007 -12.338 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.266 -11.119 4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.810 -10.514 5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.714 -9.311 4.754 1.00 0.00 H new ATOM 237 N GLU A 17 0.976 -12.711 3.065 1.00 0.00 N ATOM 238 CA GLU A 17 0.155 -13.916 2.984 1.00 0.00 C ATOM 239 C GLU A 17 -1.326 -13.583 2.746 1.00 0.00 C ATOM 240 O GLU A 17 -2.150 -14.491 2.688 1.00 0.00 O ATOM 241 CB GLU A 17 0.431 -14.795 4.217 1.00 0.00 C ATOM 242 CG GLU A 17 0.177 -14.086 5.560 1.00 0.00 C ATOM 243 CD GLU A 17 0.667 -14.870 6.781 1.00 0.00 C ATOM 244 OE1 GLU A 17 1.414 -15.867 6.656 1.00 0.00 O ATOM 245 OE2 GLU A 17 0.351 -14.453 7.921 1.00 0.00 O ATOM 0 H GLU A 17 0.723 -12.123 3.859 1.00 0.00 H new ATOM 0 HA GLU A 17 0.432 -14.503 2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.196 -15.685 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.467 -15.132 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.669 -13.113 5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.892 -13.901 5.665 1.00 0.00 H new ATOM 252 N GLU A 18 -1.666 -12.301 2.553 1.00 0.00 N ATOM 253 CA GLU A 18 -3.036 -11.793 2.456 1.00 0.00 C ATOM 254 C GLU A 18 -3.180 -10.826 1.258 1.00 0.00 C ATOM 255 O GLU A 18 -3.913 -9.836 1.322 1.00 0.00 O ATOM 256 CB GLU A 18 -3.406 -11.112 3.785 1.00 0.00 C ATOM 257 CG GLU A 18 -3.339 -11.999 5.041 1.00 0.00 C ATOM 258 CD GLU A 18 -4.359 -13.141 5.098 1.00 0.00 C ATOM 259 OE1 GLU A 18 -5.575 -12.878 4.944 1.00 0.00 O ATOM 260 OE2 GLU A 18 -3.998 -14.294 5.413 1.00 0.00 O ATOM 0 H GLU A 18 -0.967 -11.565 2.457 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.725 -12.619 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.742 -10.260 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.418 -10.716 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.338 -12.425 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.478 -11.367 5.918 1.00 0.00 H new ATOM 267 N LEU A 19 -2.447 -11.080 0.168 1.00 0.00 N ATOM 268 CA LEU A 19 -2.507 -10.362 -1.107 1.00 0.00 C ATOM 269 C LEU A 19 -2.600 -11.390 -2.243 1.00 0.00 C ATOM 270 O LEU A 19 -1.727 -11.466 -3.117 1.00 0.00 O ATOM 271 CB LEU A 19 -1.284 -9.439 -1.265 1.00 0.00 C ATOM 272 CG LEU A 19 -1.192 -8.285 -0.255 1.00 0.00 C ATOM 273 CD1 LEU A 19 0.205 -7.644 -0.354 1.00 0.00 C ATOM 274 CD2 LEU A 19 -2.297 -7.248 -0.544 1.00 0.00 C ATOM 0 H LEU A 19 -1.759 -11.833 0.153 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.389 -9.723 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.381 -10.044 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.295 -9.019 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.338 -8.661 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.280 -6.823 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.965 -8.392 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.360 -7.263 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.227 -6.432 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.172 -6.854 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.274 -7.724 -0.459 1.00 0.00 H new ATOM 286 N LEU A 20 -3.647 -12.222 -2.198 1.00 0.00 N ATOM 287 CA LEU A 20 -3.917 -13.286 -3.156 1.00 0.00 C ATOM 288 C LEU A 20 -5.311 -13.110 -3.754 1.00 0.00 C ATOM 289 O LEU A 20 -5.479 -13.248 -4.963 1.00 0.00 O ATOM 290 CB LEU A 20 -3.847 -14.684 -2.517 1.00 0.00 C ATOM 291 CG LEU A 20 -2.551 -15.185 -1.852 1.00 0.00 C ATOM 292 CD1 LEU A 20 -1.258 -14.836 -2.606 1.00 0.00 C ATOM 293 CD2 LEU A 20 -2.491 -14.730 -0.391 1.00 0.00 C ATOM 0 H LEU A 20 -4.352 -12.166 -1.463 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.147 -13.215 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.632 -14.731 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.107 -15.404 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.601 -16.273 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.401 -15.231 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.288 -15.276 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.167 -13.753 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.570 -15.092 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.514 -13.641 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.347 -15.133 0.151 1.00 0.00 H new ATOM 305 N ASP A 21 -6.316 -12.830 -2.926 1.00 0.00 N ATOM 306 CA ASP A 21 -7.702 -12.740 -3.357 1.00 0.00 C ATOM 307 C ASP A 21 -7.922 -11.418 -4.071 1.00 0.00 C ATOM 308 O ASP A 21 -7.950 -10.364 -3.434 1.00 0.00 O ATOM 309 CB ASP A 21 -8.669 -12.889 -2.180 1.00 0.00 C ATOM 310 CG ASP A 21 -8.677 -14.305 -1.625 1.00 0.00 C ATOM 311 OD1 ASP A 21 -8.783 -15.276 -2.409 1.00 0.00 O ATOM 312 OD2 ASP A 21 -8.525 -14.458 -0.390 1.00 0.00 O ATOM 0 H ASP A 21 -6.186 -12.658 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.906 -13.561 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.389 -12.192 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.675 -12.620 -2.501 1.00 0.00 H new ATOM 317 N ASP A 22 -8.038 -11.486 -5.394 1.00 0.00 N ATOM 318 CA ASP A 22 -8.192 -10.352 -6.299 1.00 0.00 C ATOM 319 C ASP A 22 -9.433 -9.534 -5.973 1.00 0.00 C ATOM 320 O ASP A 22 -9.420 -8.326 -6.170 1.00 0.00 O ATOM 321 CB ASP A 22 -8.303 -10.836 -7.752 1.00 0.00 C ATOM 322 CG ASP A 22 -7.032 -11.500 -8.254 1.00 0.00 C ATOM 323 OD1 ASP A 22 -6.875 -12.722 -8.017 1.00 0.00 O ATOM 324 OD2 ASP A 22 -6.201 -10.790 -8.882 1.00 0.00 O ATOM 0 H ASP A 22 -8.027 -12.378 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.309 -9.726 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.131 -11.540 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.542 -9.989 -8.394 1.00 0.00 H new ATOM 329 N GLU A 23 -10.490 -10.188 -5.482 1.00 0.00 N ATOM 330 CA GLU A 23 -11.755 -9.546 -5.167 1.00 0.00 C ATOM 331 C GLU A 23 -11.567 -8.600 -3.991 1.00 0.00 C ATOM 332 O GLU A 23 -11.746 -7.401 -4.153 1.00 0.00 O ATOM 333 CB GLU A 23 -12.825 -10.583 -4.829 1.00 0.00 C ATOM 334 CG GLU A 23 -13.217 -11.445 -6.009 1.00 0.00 C ATOM 335 CD GLU A 23 -14.346 -12.386 -5.605 1.00 0.00 C ATOM 336 OE1 GLU A 23 -15.527 -11.982 -5.719 1.00 0.00 O ATOM 337 OE2 GLU A 23 -14.031 -13.518 -5.173 1.00 0.00 O ATOM 0 H GLU A 23 -10.484 -11.190 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.085 -8.985 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.460 -11.223 -4.026 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.710 -10.072 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.535 -10.817 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.357 -12.020 -6.353 1.00 0.00 H new ATOM 344 N GLU A 24 -11.206 -9.126 -2.817 1.00 0.00 N ATOM 345 CA GLU A 24 -11.040 -8.358 -1.593 1.00 0.00 C ATOM 346 C GLU A 24 -10.077 -7.195 -1.828 1.00 0.00 C ATOM 347 O GLU A 24 -10.345 -6.069 -1.416 1.00 0.00 O ATOM 348 CB GLU A 24 -10.507 -9.306 -0.515 1.00 0.00 C ATOM 349 CG GLU A 24 -10.785 -8.787 0.899 1.00 0.00 C ATOM 350 CD GLU A 24 -9.937 -9.510 1.953 1.00 0.00 C ATOM 351 OE1 GLU A 24 -9.602 -10.703 1.750 1.00 0.00 O ATOM 352 OE2 GLU A 24 -9.521 -8.876 2.952 1.00 0.00 O ATOM 0 H GLU A 24 -11.018 -10.121 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.991 -7.933 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.966 -10.287 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.433 -9.438 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.579 -7.717 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.842 -8.918 1.132 1.00 0.00 H new ATOM 359 N TYR A 25 -8.984 -7.469 -2.542 1.00 0.00 N ATOM 360 CA TYR A 25 -8.004 -6.491 -2.969 1.00 0.00 C ATOM 361 C TYR A 25 -8.662 -5.320 -3.722 1.00 0.00 C ATOM 362 O TYR A 25 -8.252 -4.180 -3.518 1.00 0.00 O ATOM 363 CB TYR A 25 -6.976 -7.250 -3.814 1.00 0.00 C ATOM 364 CG TYR A 25 -5.923 -6.417 -4.508 1.00 0.00 C ATOM 365 CD1 TYR A 25 -6.220 -5.855 -5.761 1.00 0.00 C ATOM 366 CD2 TYR A 25 -4.635 -6.287 -3.959 1.00 0.00 C ATOM 367 CE1 TYR A 25 -5.234 -5.164 -6.482 1.00 0.00 C ATOM 368 CE2 TYR A 25 -3.642 -5.596 -4.677 1.00 0.00 C ATOM 369 CZ TYR A 25 -3.935 -5.033 -5.939 1.00 0.00 C ATOM 370 OH TYR A 25 -2.940 -4.458 -6.663 1.00 0.00 O ATOM 0 H TYR A 25 -8.756 -8.416 -2.846 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.510 -6.023 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.471 -7.970 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.513 -7.821 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.214 -5.955 -6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.410 -6.715 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.466 -4.735 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.650 -5.495 -4.261 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.110 -4.464 -6.141 1.00 0.00 H new ATOM 380 N GLU A 26 -9.651 -5.558 -4.589 1.00 0.00 N ATOM 381 CA GLU A 26 -10.255 -4.554 -5.449 1.00 0.00 C ATOM 382 C GLU A 26 -11.309 -3.750 -4.695 1.00 0.00 C ATOM 383 O GLU A 26 -11.382 -2.537 -4.889 1.00 0.00 O ATOM 384 CB GLU A 26 -10.853 -5.268 -6.674 1.00 0.00 C ATOM 385 CG GLU A 26 -9.917 -5.155 -7.890 1.00 0.00 C ATOM 386 CD GLU A 26 -10.339 -6.043 -9.065 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.484 -5.912 -9.551 1.00 0.00 O ATOM 388 OE2 GLU A 26 -9.505 -6.837 -9.565 1.00 0.00 O ATOM 0 H GLU A 26 -10.061 -6.484 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.500 -3.840 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.025 -6.318 -6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.823 -4.833 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.887 -4.117 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.905 -5.423 -7.587 1.00 0.00 H new ATOM 395 N GLU A 27 -12.088 -4.399 -3.827 1.00 0.00 N ATOM 396 CA GLU A 27 -13.048 -3.715 -2.960 1.00 0.00 C ATOM 397 C GLU A 27 -12.308 -2.716 -2.071 1.00 0.00 C ATOM 398 O GLU A 27 -12.656 -1.536 -2.021 1.00 0.00 O ATOM 399 CB GLU A 27 -13.821 -4.710 -2.080 1.00 0.00 C ATOM 400 CG GLU A 27 -14.499 -5.844 -2.844 1.00 0.00 C ATOM 401 CD GLU A 27 -15.373 -5.381 -4.010 1.00 0.00 C ATOM 402 OE1 GLU A 27 -16.348 -4.627 -3.793 1.00 0.00 O ATOM 403 OE2 GLU A 27 -15.149 -5.861 -5.141 1.00 0.00 O ATOM 0 H GLU A 27 -12.071 -5.412 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.767 -3.195 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.133 -5.141 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.579 -4.164 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.733 -6.519 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.113 -6.418 -2.150 1.00 0.00 H new ATOM 410 N ILE A 28 -11.253 -3.195 -1.397 1.00 0.00 N ATOM 411 CA ILE A 28 -10.447 -2.393 -0.489 1.00 0.00 C ATOM 412 C ILE A 28 -9.938 -1.147 -1.224 1.00 0.00 C ATOM 413 O ILE A 28 -10.015 -0.042 -0.694 1.00 0.00 O ATOM 414 CB ILE A 28 -9.315 -3.264 0.112 1.00 0.00 C ATOM 415 CG1 ILE A 28 -9.915 -4.266 1.129 1.00 0.00 C ATOM 416 CG2 ILE A 28 -8.291 -2.372 0.833 1.00 0.00 C ATOM 417 CD1 ILE A 28 -8.948 -5.376 1.564 1.00 0.00 C ATOM 0 H ILE A 28 -10.938 -4.162 -1.473 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.044 -2.040 0.351 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.821 -3.805 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.242 -3.718 2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.802 -4.723 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.499 -2.993 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.861 -1.665 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.786 -1.825 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.446 -6.034 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.640 -5.952 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.071 -4.931 2.034 1.00 0.00 H new ATOM 429 N VAL A 29 -9.430 -1.295 -2.444 1.00 0.00 N ATOM 430 CA VAL A 29 -8.864 -0.202 -3.223 1.00 0.00 C ATOM 431 C VAL A 29 -9.890 0.894 -3.538 1.00 0.00 C ATOM 432 O VAL A 29 -9.473 2.043 -3.735 1.00 0.00 O ATOM 433 CB VAL A 29 -8.258 -0.832 -4.485 1.00 0.00 C ATOM 434 CG1 VAL A 29 -7.922 0.136 -5.620 1.00 0.00 C ATOM 435 CG2 VAL A 29 -6.935 -1.521 -4.128 1.00 0.00 C ATOM 0 H VAL A 29 -9.400 -2.194 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.094 0.316 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.038 -1.506 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.501 -0.419 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.829 0.648 -5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.196 0.870 -5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.504 -1.968 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.241 -0.786 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.118 -2.298 -3.386 1.00 0.00 H new ATOM 445 N GLU A 30 -11.190 0.587 -3.595 1.00 0.00 N ATOM 446 CA GLU A 30 -12.218 1.606 -3.789 1.00 0.00 C ATOM 447 C GLU A 30 -12.668 2.242 -2.474 1.00 0.00 C ATOM 448 O GLU A 30 -13.038 3.421 -2.466 1.00 0.00 O ATOM 449 CB GLU A 30 -13.429 1.060 -4.566 1.00 0.00 C ATOM 450 CG GLU A 30 -13.090 0.538 -5.974 1.00 0.00 C ATOM 451 CD GLU A 30 -14.232 0.800 -6.971 1.00 0.00 C ATOM 452 OE1 GLU A 30 -15.399 0.434 -6.702 1.00 0.00 O ATOM 453 OE2 GLU A 30 -13.977 1.412 -8.034 1.00 0.00 O ATOM 0 H GLU A 30 -11.553 -0.363 -3.509 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.754 2.389 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.882 0.253 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.177 1.848 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.179 1.019 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.888 -0.532 -5.926 1.00 0.00 H new ATOM 460 N ASP A 31 -12.591 1.517 -1.361 1.00 0.00 N ATOM 461 CA ASP A 31 -12.916 2.102 -0.052 1.00 0.00 C ATOM 462 C ASP A 31 -11.807 3.054 0.385 1.00 0.00 C ATOM 463 O ASP A 31 -12.048 4.167 0.867 1.00 0.00 O ATOM 464 CB ASP A 31 -13.107 1.019 1.014 1.00 0.00 C ATOM 465 CG ASP A 31 -13.692 1.636 2.284 1.00 0.00 C ATOM 466 OD1 ASP A 31 -12.936 2.261 3.060 1.00 0.00 O ATOM 467 OD2 ASP A 31 -14.917 1.490 2.520 1.00 0.00 O ATOM 0 H ASP A 31 -12.311 0.537 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.853 2.649 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.771 0.240 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.152 0.544 1.237 1.00 0.00 H new ATOM 472 N VAL A 32 -10.573 2.618 0.146 1.00 0.00 N ATOM 473 CA VAL A 32 -9.357 3.315 0.519 1.00 0.00 C ATOM 474 C VAL A 32 -9.184 4.536 -0.380 1.00 0.00 C ATOM 475 O VAL A 32 -8.594 5.541 0.041 1.00 0.00 O ATOM 476 CB VAL A 32 -8.179 2.322 0.419 1.00 0.00 C ATOM 477 CG1 VAL A 32 -6.813 3.008 0.489 1.00 0.00 C ATOM 478 CG2 VAL A 32 -8.259 1.301 1.561 1.00 0.00 C ATOM 0 H VAL A 32 -10.392 1.735 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.400 3.680 1.545 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.267 1.838 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.025 2.259 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.719 3.717 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.720 3.538 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.425 0.603 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.211 1.821 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.198 0.752 1.493 1.00 0.00 H new ATOM 488 N ARG A 33 -9.710 4.479 -1.610 1.00 0.00 N ATOM 489 CA ARG A 33 -9.763 5.654 -2.464 1.00 0.00 C ATOM 490 C ARG A 33 -10.506 6.751 -1.735 1.00 0.00 C ATOM 491 O ARG A 33 -9.957 7.839 -1.559 1.00 0.00 O ATOM 492 CB ARG A 33 -10.446 5.368 -3.813 1.00 0.00 C ATOM 493 CG ARG A 33 -10.208 6.510 -4.821 1.00 0.00 C ATOM 494 CD ARG A 33 -9.096 6.068 -5.767 1.00 0.00 C ATOM 495 NE ARG A 33 -8.713 7.083 -6.755 1.00 0.00 N ATOM 496 CZ ARG A 33 -7.793 6.871 -7.700 1.00 0.00 C ATOM 497 NH1 ARG A 33 -7.153 5.702 -7.780 1.00 0.00 N ATOM 498 NH2 ARG A 33 -7.516 7.863 -8.532 1.00 0.00 N ATOM 0 H ARG A 33 -10.100 3.634 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.740 5.960 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.065 4.433 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.517 5.235 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.120 6.726 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.927 7.426 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.219 5.799 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.416 5.168 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.171 7.994 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.365 4.958 -7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.453 5.553 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.000 8.756 -8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.818 7.734 -9.265 1.00 0.00 H new ATOM 512 N ASP A 34 -11.744 6.465 -1.340 1.00 0.00 N ATOM 513 CA ASP A 34 -12.636 7.480 -0.814 1.00 0.00 C ATOM 514 C ASP A 34 -12.076 8.048 0.471 1.00 0.00 C ATOM 515 O ASP A 34 -12.120 9.260 0.679 1.00 0.00 O ATOM 516 CB ASP A 34 -14.036 6.921 -0.544 1.00 0.00 C ATOM 517 CG ASP A 34 -15.091 8.023 -0.671 1.00 0.00 C ATOM 518 OD1 ASP A 34 -15.011 8.850 -1.609 1.00 0.00 O ATOM 519 OD2 ASP A 34 -16.032 8.061 0.156 1.00 0.00 O ATOM 0 H ASP A 34 -12.149 5.530 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.717 8.263 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.255 6.118 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.074 6.488 0.455 1.00 0.00 H new ATOM 524 N GLU A 35 -11.519 7.181 1.322 1.00 0.00 N ATOM 525 CA GLU A 35 -11.159 7.586 2.665 1.00 0.00 C ATOM 526 C GLU A 35 -10.011 8.593 2.656 1.00 0.00 C ATOM 527 O GLU A 35 -10.024 9.559 3.423 1.00 0.00 O ATOM 528 CB GLU A 35 -10.853 6.376 3.558 1.00 0.00 C ATOM 529 CG GLU A 35 -9.445 5.783 3.520 1.00 0.00 C ATOM 530 CD GLU A 35 -9.425 4.603 4.498 1.00 0.00 C ATOM 531 OE1 GLU A 35 -9.414 4.865 5.726 1.00 0.00 O ATOM 532 OE2 GLU A 35 -9.540 3.438 4.066 1.00 0.00 O ATOM 0 H GLU A 35 -11.313 6.207 1.099 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.024 8.089 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.065 6.661 4.588 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.554 5.584 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.194 5.452 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.705 6.531 3.804 1.00 0.00 H new ATOM 539 N CYS A 36 -9.027 8.377 1.776 1.00 0.00 N ATOM 540 CA CYS A 36 -7.922 9.307 1.626 1.00 0.00 C ATOM 541 C CYS A 36 -8.364 10.526 0.804 1.00 0.00 C ATOM 542 O CYS A 36 -7.854 11.623 1.021 1.00 0.00 O ATOM 543 CB CYS A 36 -6.723 8.590 0.997 1.00 0.00 C ATOM 544 SG CYS A 36 -5.176 9.305 1.614 1.00 0.00 S ATOM 0 H CYS A 36 -8.981 7.565 1.161 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.613 9.672 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.761 7.526 1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.766 8.677 -0.089 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.741 10.192 0.769 1.00 0.00 H new ATOM 550 N SER A 37 -9.357 10.382 -0.080 1.00 0.00 N ATOM 551 CA SER A 37 -9.906 11.478 -0.870 1.00 0.00 C ATOM 552 C SER A 37 -10.582 12.522 0.038 1.00 0.00 C ATOM 553 O SER A 37 -10.653 13.710 -0.293 1.00 0.00 O ATOM 554 CB SER A 37 -10.862 10.878 -1.904 1.00 0.00 C ATOM 555 OG SER A 37 -11.297 11.790 -2.891 1.00 0.00 O ATOM 0 H SER A 37 -9.806 9.485 -0.266 1.00 0.00 H new ATOM 0 HA SER A 37 -9.115 12.014 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.369 10.039 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.734 10.478 -1.386 1.00 0.00 H new ATOM 0 HG SER A 37 -11.901 11.334 -3.514 1.00 0.00 H new ATOM 561 N LYS A 38 -10.980 12.139 1.260 1.00 0.00 N ATOM 562 CA LYS A 38 -11.418 13.097 2.275 1.00 0.00 C ATOM 563 C LYS A 38 -10.345 14.157 2.566 1.00 0.00 C ATOM 564 O LYS A 38 -10.698 15.257 2.981 1.00 0.00 O ATOM 565 CB LYS A 38 -11.849 12.373 3.560 1.00 0.00 C ATOM 566 CG LYS A 38 -12.880 11.275 3.265 1.00 0.00 C ATOM 567 CD LYS A 38 -13.564 10.748 4.524 1.00 0.00 C ATOM 568 CE LYS A 38 -14.669 9.775 4.109 1.00 0.00 C ATOM 569 NZ LYS A 38 -15.372 9.195 5.266 1.00 0.00 N ATOM 0 H LYS A 38 -11.006 11.166 1.566 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.284 13.623 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.976 11.934 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.272 13.093 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.636 11.667 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.387 10.449 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.840 10.246 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.983 11.573 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.387 10.295 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.237 8.973 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.111 8.543 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.694 8.676 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.809 9.956 5.824 1.00 0.00 H new ATOM 583 N TYR A 39 -9.072 13.887 2.268 1.00 0.00 N ATOM 584 CA TYR A 39 -7.928 14.741 2.554 1.00 0.00 C ATOM 585 C TYR A 39 -7.317 15.343 1.276 1.00 0.00 C ATOM 586 O TYR A 39 -6.312 16.044 1.380 1.00 0.00 O ATOM 587 CB TYR A 39 -6.887 13.935 3.357 1.00 0.00 C ATOM 588 CG TYR A 39 -7.397 13.384 4.682 1.00 0.00 C ATOM 589 CD1 TYR A 39 -8.243 12.260 4.702 1.00 0.00 C ATOM 590 CD2 TYR A 39 -7.050 14.006 5.897 1.00 0.00 C ATOM 591 CE1 TYR A 39 -8.804 11.809 5.906 1.00 0.00 C ATOM 592 CE2 TYR A 39 -7.591 13.543 7.111 1.00 0.00 C ATOM 593 CZ TYR A 39 -8.491 12.456 7.122 1.00 0.00 C ATOM 594 OH TYR A 39 -9.052 12.050 8.295 1.00 0.00 O ATOM 0 H TYR A 39 -8.803 13.023 1.797 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.266 15.588 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.538 13.105 2.743 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.024 14.572 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.463 11.739 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.366 14.842 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.477 10.965 5.903 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.316 14.022 8.039 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.720 12.610 9.028 1.00 0.00 H new ATOM 604 N GLY A 40 -7.875 15.097 0.082 1.00 0.00 N ATOM 605 CA GLY A 40 -7.342 15.630 -1.168 1.00 0.00 C ATOM 606 C GLY A 40 -7.756 14.799 -2.371 1.00 0.00 C ATOM 607 O GLY A 40 -8.783 14.124 -2.338 1.00 0.00 O ATOM 0 H GLY A 40 -8.709 14.522 -0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.688 16.655 -1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.254 15.666 -1.111 1.00 0.00 H new ATOM 611 N LEU A 41 -6.985 14.862 -3.455 1.00 0.00 N ATOM 612 CA LEU A 41 -7.266 14.156 -4.697 1.00 0.00 C ATOM 613 C LEU A 41 -6.203 13.086 -4.884 1.00 0.00 C ATOM 614 O LEU A 41 -5.031 13.378 -5.135 1.00 0.00 O ATOM 615 CB LEU A 41 -7.322 15.172 -5.835 1.00 0.00 C ATOM 616 CG LEU A 41 -7.790 14.691 -7.217 1.00 0.00 C ATOM 617 CD1 LEU A 41 -6.895 13.629 -7.849 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.234 14.188 -7.196 1.00 0.00 C ATOM 0 H LEU A 41 -6.130 15.418 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.232 13.652 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.980 15.983 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.325 15.597 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.724 15.582 -7.842 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.297 13.346 -8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.889 14.029 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.858 12.752 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.519 13.859 -8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.318 13.353 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.895 14.994 -6.877 1.00 0.00 H new ATOM 630 N VAL A 42 -6.634 11.838 -4.742 1.00 0.00 N ATOM 631 CA VAL A 42 -5.820 10.650 -4.939 1.00 0.00 C ATOM 632 C VAL A 42 -5.601 10.502 -6.448 1.00 0.00 C ATOM 633 O VAL A 42 -6.539 10.281 -7.218 1.00 0.00 O ATOM 634 CB VAL A 42 -6.510 9.412 -4.333 1.00 0.00 C ATOM 635 CG1 VAL A 42 -5.694 8.133 -4.555 1.00 0.00 C ATOM 636 CG2 VAL A 42 -6.862 9.529 -2.840 1.00 0.00 C ATOM 0 H VAL A 42 -7.595 11.621 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.859 10.742 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.453 9.355 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.218 7.286 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.568 7.963 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.715 8.240 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.343 8.610 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.952 9.692 -2.263 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.541 10.368 -2.691 1.00 0.00 H new ATOM 646 N LYS A 43 -4.362 10.661 -6.891 1.00 0.00 N ATOM 647 CA LYS A 43 -3.903 10.303 -8.224 1.00 0.00 C ATOM 648 C LYS A 43 -4.081 8.789 -8.432 1.00 0.00 C ATOM 649 O LYS A 43 -4.845 8.375 -9.307 1.00 0.00 O ATOM 650 CB LYS A 43 -2.443 10.759 -8.345 1.00 0.00 C ATOM 651 CG LYS A 43 -1.833 10.798 -9.749 1.00 0.00 C ATOM 652 CD LYS A 43 -2.361 11.939 -10.634 1.00 0.00 C ATOM 653 CE LYS A 43 -3.552 11.532 -11.510 1.00 0.00 C ATOM 654 NZ LYS A 43 -3.145 10.578 -12.561 1.00 0.00 N ATOM 0 H LYS A 43 -3.623 11.057 -6.310 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.482 10.794 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.365 11.758 -7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.831 10.099 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.751 10.893 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.030 9.848 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.656 12.774 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.554 12.295 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.326 11.083 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.987 12.419 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.877 10.542 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.245 10.887 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.027 9.632 -12.145 1.00 0.00 H new ATOM 668 N SER A 44 -3.426 7.948 -7.628 1.00 0.00 N ATOM 669 CA SER A 44 -3.433 6.493 -7.812 1.00 0.00 C ATOM 670 C SER A 44 -3.000 5.779 -6.531 1.00 0.00 C ATOM 671 O SER A 44 -2.696 6.434 -5.534 1.00 0.00 O ATOM 672 CB SER A 44 -2.585 6.101 -9.043 1.00 0.00 C ATOM 673 OG SER A 44 -1.609 7.063 -9.410 1.00 0.00 O ATOM 0 H SER A 44 -2.874 8.257 -6.828 1.00 0.00 H new ATOM 0 HA SER A 44 -4.452 6.162 -8.015 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.086 5.154 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.251 5.935 -9.890 1.00 0.00 H new ATOM 0 HG SER A 44 -1.114 6.744 -10.193 1.00 0.00 H new ATOM 679 N ILE A 45 -3.048 4.441 -6.521 1.00 0.00 N ATOM 680 CA ILE A 45 -2.674 3.601 -5.395 1.00 0.00 C ATOM 681 C ILE A 45 -1.906 2.416 -5.962 1.00 0.00 C ATOM 682 O ILE A 45 -2.232 1.878 -7.025 1.00 0.00 O ATOM 683 CB ILE A 45 -3.902 3.128 -4.581 1.00 0.00 C ATOM 684 CG1 ILE A 45 -4.779 4.301 -4.133 1.00 0.00 C ATOM 685 CG2 ILE A 45 -3.450 2.326 -3.348 1.00 0.00 C ATOM 686 CD1 ILE A 45 -6.141 3.885 -3.560 1.00 0.00 C ATOM 0 H ILE A 45 -3.360 3.902 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.060 4.170 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.497 2.492 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.241 4.876 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.942 4.964 -4.983 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.325 2.000 -2.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.880 1.454 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.825 2.955 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.699 4.774 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.702 3.337 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.990 3.248 -2.689 1.00 0.00 H new ATOM 698 N GLU A 46 -0.928 1.976 -5.193 1.00 0.00 N ATOM 699 CA GLU A 46 -0.049 0.846 -5.479 1.00 0.00 C ATOM 700 C GLU A 46 -0.076 -0.136 -4.301 1.00 0.00 C ATOM 701 O GLU A 46 0.132 0.239 -3.144 1.00 0.00 O ATOM 702 CB GLU A 46 1.389 1.308 -5.791 1.00 0.00 C ATOM 703 CG GLU A 46 2.003 0.854 -7.137 1.00 0.00 C ATOM 704 CD GLU A 46 1.787 -0.600 -7.623 1.00 0.00 C ATOM 705 OE1 GLU A 46 0.954 -1.379 -7.095 1.00 0.00 O ATOM 706 OE2 GLU A 46 2.403 -0.950 -8.663 1.00 0.00 O ATOM 0 H GLU A 46 -0.709 2.419 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.415 0.338 -6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.407 2.397 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.038 0.957 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.618 1.518 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.078 1.022 -7.078 1.00 0.00 H new ATOM 713 N ILE A 47 -0.390 -1.399 -4.592 1.00 0.00 N ATOM 714 CA ILE A 47 -0.456 -2.513 -3.650 1.00 0.00 C ATOM 715 C ILE A 47 0.189 -3.698 -4.390 1.00 0.00 C ATOM 716 O ILE A 47 -0.493 -4.475 -5.055 1.00 0.00 O ATOM 717 CB ILE A 47 -1.920 -2.782 -3.194 1.00 0.00 C ATOM 718 CG1 ILE A 47 -2.616 -1.488 -2.716 1.00 0.00 C ATOM 719 CG2 ILE A 47 -1.968 -3.854 -2.086 1.00 0.00 C ATOM 720 CD1 ILE A 47 -3.988 -1.687 -2.068 1.00 0.00 C ATOM 0 H ILE A 47 -0.617 -1.686 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 47 0.076 -2.312 -2.720 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.463 -3.155 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.964 -0.986 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.728 -0.819 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.003 -4.022 -1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.543 -4.785 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.392 -3.514 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.392 -0.720 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.664 -2.156 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.887 -2.326 -1.191 1.00 0.00 H new ATOM 732 N PRO A 48 1.524 -3.821 -4.407 1.00 0.00 N ATOM 733 CA PRO A 48 2.196 -4.895 -5.138 1.00 0.00 C ATOM 734 C PRO A 48 1.850 -6.251 -4.503 1.00 0.00 C ATOM 735 O PRO A 48 1.862 -6.371 -3.276 1.00 0.00 O ATOM 736 CB PRO A 48 3.690 -4.550 -5.059 1.00 0.00 C ATOM 737 CG PRO A 48 3.808 -3.662 -3.816 1.00 0.00 C ATOM 738 CD PRO A 48 2.479 -2.923 -3.783 1.00 0.00 C ATOM 0 HA PRO A 48 1.885 -4.978 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.301 -5.448 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.026 -4.027 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.962 -4.253 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.649 -2.973 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.186 -2.687 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.541 -1.978 -4.323 1.00 0.00 H new ATOM 746 N ARG A 49 1.594 -7.306 -5.286 1.00 0.00 N ATOM 747 CA ARG A 49 1.366 -8.664 -4.761 1.00 0.00 C ATOM 748 C ARG A 49 2.677 -9.472 -4.668 1.00 0.00 C ATOM 749 O ARG A 49 3.623 -9.137 -5.393 1.00 0.00 O ATOM 750 CB ARG A 49 0.373 -9.429 -5.656 1.00 0.00 C ATOM 751 CG ARG A 49 -1.100 -9.027 -5.481 1.00 0.00 C ATOM 752 CD ARG A 49 -1.600 -7.928 -6.423 1.00 0.00 C ATOM 753 NE ARG A 49 -3.069 -7.984 -6.518 1.00 0.00 N ATOM 754 CZ ARG A 49 -3.794 -8.652 -7.425 1.00 0.00 C ATOM 755 NH1 ARG A 49 -3.193 -9.316 -8.410 1.00 0.00 N ATOM 756 NH2 ARG A 49 -5.117 -8.658 -7.351 1.00 0.00 N ATOM 0 H ARG A 49 1.538 -7.245 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 49 0.955 -8.551 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.654 -9.277 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.470 -10.495 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.719 -9.913 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.248 -8.696 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.287 -6.951 -6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.157 -8.054 -7.411 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.591 -7.457 -5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.175 -9.318 -8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.750 -9.823 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.588 -8.152 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.664 -9.168 -8.044 1.00 0.00 H new ATOM 770 N PRO A 50 2.760 -10.497 -3.790 1.00 0.00 N ATOM 771 CA PRO A 50 3.853 -11.475 -3.702 1.00 0.00 C ATOM 772 C PRO A 50 4.016 -12.288 -4.978 1.00 0.00 C ATOM 773 O PRO A 50 3.207 -12.209 -5.910 1.00 0.00 O ATOM 774 CB PRO A 50 3.565 -12.371 -2.492 1.00 0.00 C ATOM 775 CG PRO A 50 2.141 -12.057 -2.075 1.00 0.00 C ATOM 776 CD PRO A 50 1.753 -10.771 -2.781 1.00 0.00 C ATOM 0 HA PRO A 50 4.802 -10.954 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.673 -13.424 -2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.264 -12.169 -1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.469 -12.869 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.071 -11.941 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.769 -10.869 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.692 -9.948 -2.069 1.00 0.00 H new ATOM 866 N PRO A 57 10.470 -6.696 -3.027 1.00 0.00 N ATOM 867 CA PRO A 57 10.954 -5.391 -2.617 1.00 0.00 C ATOM 868 C PRO A 57 9.775 -4.417 -2.678 1.00 0.00 C ATOM 869 O PRO A 57 9.329 -4.004 -3.755 1.00 0.00 O ATOM 870 CB PRO A 57 12.106 -5.063 -3.560 1.00 0.00 C ATOM 871 CG PRO A 57 11.735 -5.790 -4.851 1.00 0.00 C ATOM 872 CD PRO A 57 10.954 -7.015 -4.366 1.00 0.00 C ATOM 0 HA PRO A 57 11.332 -5.339 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.200 -3.989 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.060 -5.412 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.129 -5.162 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.621 -6.078 -5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.123 -7.235 -5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.592 -7.899 -4.347 1.00 0.00 H new ATOM 880 N GLY A 58 9.189 -4.165 -1.509 1.00 0.00 N ATOM 881 CA GLY A 58 7.996 -3.359 -1.296 1.00 0.00 C ATOM 882 C GLY A 58 6.842 -4.159 -0.696 1.00 0.00 C ATOM 883 O GLY A 58 5.789 -3.584 -0.420 1.00 0.00 O ATOM 0 H GLY A 58 9.559 -4.542 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.238 -2.527 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.679 -2.929 -2.246 1.00 0.00 H new ATOM 887 N CYS A 59 7.005 -5.472 -0.499 1.00 0.00 N ATOM 888 CA CYS A 59 5.901 -6.338 -0.116 1.00 0.00 C ATOM 889 C CYS A 59 5.516 -6.056 1.340 1.00 0.00 C ATOM 890 O CYS A 59 6.388 -5.957 2.212 1.00 0.00 O ATOM 891 CB CYS A 59 6.271 -7.809 -0.369 1.00 0.00 C ATOM 892 SG CYS A 59 4.809 -8.870 -0.244 1.00 0.00 S ATOM 0 H CYS A 59 7.898 -5.953 -0.601 1.00 0.00 H new ATOM 0 HA CYS A 59 5.024 -6.130 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.717 -7.912 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.021 -8.129 0.354 1.00 0.00 H new ATOM 0 HG CYS A 59 5.149 -10.105 -0.464 1.00 0.00 H new ATOM 898 N GLY A 60 4.218 -5.897 1.594 1.00 0.00 N ATOM 899 CA GLY A 60 3.636 -5.591 2.896 1.00 0.00 C ATOM 900 C GLY A 60 3.539 -4.092 3.193 1.00 0.00 C ATOM 901 O GLY A 60 3.101 -3.712 4.279 1.00 0.00 O ATOM 0 H GLY A 60 3.512 -5.982 0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.639 -6.028 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.235 -6.068 3.672 1.00 0.00 H new ATOM 905 N LYS A 61 3.946 -3.223 2.268 1.00 0.00 N ATOM 906 CA LYS A 61 3.758 -1.779 2.359 1.00 0.00 C ATOM 907 C LYS A 61 2.704 -1.401 1.334 1.00 0.00 C ATOM 908 O LYS A 61 2.446 -2.167 0.406 1.00 0.00 O ATOM 909 CB LYS A 61 5.080 -1.033 2.108 1.00 0.00 C ATOM 910 CG LYS A 61 6.241 -1.481 3.006 1.00 0.00 C ATOM 911 CD LYS A 61 7.058 -2.595 2.335 1.00 0.00 C ATOM 912 CE LYS A 61 8.075 -3.179 3.302 1.00 0.00 C ATOM 913 NZ LYS A 61 8.705 -4.393 2.757 1.00 0.00 N ATOM 0 H LYS A 61 4.426 -3.512 1.416 1.00 0.00 H new ATOM 0 HA LYS A 61 3.432 -1.495 3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.369 -1.171 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.914 0.034 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.888 -0.630 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.851 -1.835 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.389 -3.382 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.570 -2.198 1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.842 -2.435 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.586 -3.415 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.330 -4.812 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.968 -5.079 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.263 -4.146 1.915 1.00 0.00 H new ATOM 927 N ILE A 62 2.087 -0.238 1.474 1.00 0.00 N ATOM 928 CA ILE A 62 1.141 0.299 0.502 1.00 0.00 C ATOM 929 C ILE A 62 1.652 1.689 0.173 1.00 0.00 C ATOM 930 O ILE A 62 2.253 2.358 1.020 1.00 0.00 O ATOM 931 CB ILE A 62 -0.305 0.239 1.057 1.00 0.00 C ATOM 932 CG1 ILE A 62 -0.695 -1.258 1.101 1.00 0.00 C ATOM 933 CG2 ILE A 62 -1.287 1.093 0.230 1.00 0.00 C ATOM 934 CD1 ILE A 62 -2.166 -1.608 1.298 1.00 0.00 C ATOM 0 H ILE A 62 2.230 0.371 2.279 1.00 0.00 H new ATOM 0 HA ILE A 62 1.081 -0.282 -0.418 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.356 0.671 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.364 -1.717 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.129 -1.727 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.286 1.017 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.964 2.134 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.306 0.732 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.284 -2.692 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.514 -1.197 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.753 -1.186 0.482 1.00 0.00 H new ATOM 946 N PHE A 63 1.418 2.120 -1.057 1.00 0.00 N ATOM 947 CA PHE A 63 1.816 3.418 -1.540 1.00 0.00 C ATOM 948 C PHE A 63 0.570 4.011 -2.184 1.00 0.00 C ATOM 949 O PHE A 63 -0.233 3.297 -2.786 1.00 0.00 O ATOM 950 CB PHE A 63 3.025 3.278 -2.480 1.00 0.00 C ATOM 951 CG PHE A 63 4.094 2.303 -2.013 1.00 0.00 C ATOM 952 CD1 PHE A 63 3.900 0.917 -2.165 1.00 0.00 C ATOM 953 CD2 PHE A 63 5.264 2.768 -1.386 1.00 0.00 C ATOM 954 CE1 PHE A 63 4.837 0.006 -1.657 1.00 0.00 C ATOM 955 CE2 PHE A 63 6.223 1.858 -0.908 1.00 0.00 C ATOM 956 CZ PHE A 63 6.006 0.476 -1.035 1.00 0.00 C ATOM 0 H PHE A 63 0.934 1.558 -1.757 1.00 0.00 H new ATOM 0 HA PHE A 63 2.161 4.093 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.669 2.961 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.481 4.259 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.022 0.552 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.426 3.830 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.660 -1.056 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.127 2.222 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.736 -0.224 -0.655 1.00 0.00 H new ATOM 966 N VAL A 64 0.375 5.310 -2.029 1.00 0.00 N ATOM 967 CA VAL A 64 -0.739 6.057 -2.591 1.00 0.00 C ATOM 968 C VAL A 64 -0.094 7.311 -3.176 1.00 0.00 C ATOM 969 O VAL A 64 0.940 7.754 -2.675 1.00 0.00 O ATOM 970 CB VAL A 64 -1.767 6.331 -1.470 1.00 0.00 C ATOM 971 CG1 VAL A 64 -2.878 7.311 -1.866 1.00 0.00 C ATOM 972 CG2 VAL A 64 -2.434 5.070 -0.895 1.00 0.00 C ATOM 0 H VAL A 64 1.012 5.895 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.298 5.539 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.144 6.784 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.558 7.450 -1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.437 8.270 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.430 6.911 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.140 5.355 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.964 4.544 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.672 4.416 -0.473 1.00 0.00 H new ATOM 982 N GLU A 65 -0.659 7.902 -4.219 1.00 0.00 N ATOM 983 CA GLU A 65 -0.143 9.121 -4.814 1.00 0.00 C ATOM 984 C GLU A 65 -1.284 10.116 -4.931 1.00 0.00 C ATOM 985 O GLU A 65 -2.428 9.733 -5.185 1.00 0.00 O ATOM 986 CB GLU A 65 0.605 8.803 -6.117 1.00 0.00 C ATOM 987 CG GLU A 65 1.039 10.063 -6.862 1.00 0.00 C ATOM 988 CD GLU A 65 2.159 9.855 -7.875 1.00 0.00 C ATOM 989 OE1 GLU A 65 1.998 9.013 -8.787 1.00 0.00 O ATOM 990 OE2 GLU A 65 3.082 10.704 -7.869 1.00 0.00 O ATOM 0 H GLU A 65 -1.496 7.544 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 65 0.611 9.597 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.483 8.198 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.036 8.204 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.174 10.478 -7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.362 10.806 -6.133 1.00 0.00 H new ATOM 997 N PHE A 66 -0.982 11.391 -4.700 1.00 0.00 N ATOM 998 CA PHE A 66 -1.889 12.516 -4.805 1.00 0.00 C ATOM 999 C PHE A 66 -1.420 13.410 -5.954 1.00 0.00 C ATOM 1000 O PHE A 66 -0.326 13.234 -6.493 1.00 0.00 O ATOM 1001 CB PHE A 66 -1.916 13.281 -3.474 1.00 0.00 C ATOM 1002 CG PHE A 66 -2.908 12.820 -2.419 1.00 0.00 C ATOM 1003 CD1 PHE A 66 -3.197 11.458 -2.175 1.00 0.00 C ATOM 1004 CD2 PHE A 66 -3.519 13.807 -1.624 1.00 0.00 C ATOM 1005 CE1 PHE A 66 -4.127 11.120 -1.178 1.00 0.00 C ATOM 1006 CE2 PHE A 66 -4.431 13.461 -0.613 1.00 0.00 C ATOM 1007 CZ PHE A 66 -4.748 12.111 -0.400 1.00 0.00 C ATOM 0 H PHE A 66 -0.044 11.676 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.904 12.176 -5.014 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.917 13.235 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.121 14.329 -3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.708 10.685 -2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.283 14.847 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.368 10.081 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.885 14.229 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.466 11.835 0.358 1.00 0.00 H new ATOM 1017 N THR A 67 -2.257 14.378 -6.325 1.00 0.00 N ATOM 1018 CA THR A 67 -1.973 15.340 -7.389 1.00 0.00 C ATOM 1019 C THR A 67 -1.472 16.677 -6.789 1.00 0.00 C ATOM 1020 O THR A 67 -1.359 17.667 -7.515 1.00 0.00 O ATOM 1021 CB THR A 67 -3.228 15.405 -8.289 1.00 0.00 C ATOM 1022 OG1 THR A 67 -3.057 15.909 -9.605 1.00 0.00 O ATOM 1023 CG2 THR A 67 -4.341 16.174 -7.594 1.00 0.00 C ATOM 0 H THR A 67 -3.167 14.518 -5.887 1.00 0.00 H new ATOM 0 HA THR A 67 -1.147 15.041 -8.034 1.00 0.00 H new ATOM 0 HB THR A 67 -3.485 14.356 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.918 15.899 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.217 16.210 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.600 15.675 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.004 17.189 -7.382 1.00 0.00 H new ATOM 1031 N SER A 68 -1.194 16.764 -5.477 1.00 0.00 N ATOM 1032 CA SER A 68 -0.277 17.777 -4.970 1.00 0.00 C ATOM 1033 C SER A 68 0.348 17.349 -3.644 1.00 0.00 C ATOM 1034 O SER A 68 -0.341 16.769 -2.794 1.00 0.00 O ATOM 1035 CB SER A 68 -0.985 19.129 -4.806 1.00 0.00 C ATOM 1036 OG SER A 68 -2.249 19.041 -4.176 1.00 0.00 O ATOM 0 H SER A 68 -1.589 16.151 -4.764 1.00 0.00 H new ATOM 0 HA SER A 68 0.521 17.888 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.346 19.795 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.110 19.584 -5.788 1.00 0.00 H new ATOM 0 HG SER A 68 -2.641 19.936 -4.103 1.00 0.00 H new ATOM 1042 N VAL A 69 1.597 17.775 -3.402 1.00 0.00 N ATOM 1043 CA VAL A 69 2.228 17.765 -2.077 1.00 0.00 C ATOM 1044 C VAL A 69 1.278 18.417 -1.066 1.00 0.00 C ATOM 1045 O VAL A 69 1.119 17.943 0.050 1.00 0.00 O ATOM 1046 CB VAL A 69 3.568 18.549 -2.050 1.00 0.00 C ATOM 1047 CG1 VAL A 69 4.482 18.042 -0.932 1.00 0.00 C ATOM 1048 CG2 VAL A 69 4.388 18.542 -3.336 1.00 0.00 C ATOM 0 H VAL A 69 2.205 18.142 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 69 2.435 16.725 -1.826 1.00 0.00 H new ATOM 0 HB VAL A 69 3.236 19.575 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.413 18.609 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.985 18.169 0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.700 16.986 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.299 19.123 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.649 17.516 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.803 18.982 -4.143 1.00 0.00 H new ATOM 1058 N PHE A 70 0.628 19.512 -1.465 1.00 0.00 N ATOM 1059 CA PHE A 70 -0.200 20.363 -0.614 1.00 0.00 C ATOM 1060 C PHE A 70 -1.422 19.663 -0.031 1.00 0.00 C ATOM 1061 O PHE A 70 -2.004 20.169 0.932 1.00 0.00 O ATOM 1062 CB PHE A 70 -0.708 21.536 -1.464 1.00 0.00 C ATOM 1063 CG PHE A 70 0.032 22.833 -1.283 1.00 0.00 C ATOM 1064 CD1 PHE A 70 1.252 23.045 -1.946 1.00 0.00 C ATOM 1065 CD2 PHE A 70 -0.534 23.848 -0.489 1.00 0.00 C ATOM 1066 CE1 PHE A 70 1.897 24.286 -1.835 1.00 0.00 C ATOM 1067 CE2 PHE A 70 0.093 25.098 -0.404 1.00 0.00 C ATOM 1068 CZ PHE A 70 1.302 25.315 -1.083 1.00 0.00 C ATOM 0 H PHE A 70 0.667 19.842 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 70 0.428 20.671 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.655 21.251 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.760 21.702 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.692 22.256 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.450 23.664 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.846 24.450 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.351 25.890 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.780 26.282 -1.028 1.00 0.00 H new ATOM 1078 N ASP A 71 -1.885 18.587 -0.659 1.00 0.00 N ATOM 1079 CA ASP A 71 -3.021 17.823 -0.158 1.00 0.00 C ATOM 1080 C ASP A 71 -2.520 16.566 0.545 1.00 0.00 C ATOM 1081 O ASP A 71 -3.024 16.201 1.607 1.00 0.00 O ATOM 1082 CB ASP A 71 -3.982 17.520 -1.309 1.00 0.00 C ATOM 1083 CG ASP A 71 -5.052 18.604 -1.512 1.00 0.00 C ATOM 1084 OD1 ASP A 71 -5.495 19.246 -0.532 1.00 0.00 O ATOM 1085 OD2 ASP A 71 -5.398 18.873 -2.685 1.00 0.00 O ATOM 0 H ASP A 71 -1.486 18.222 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.578 18.401 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.410 17.408 -2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.474 16.566 -1.120 1.00 0.00 H new ATOM 1090 N CYS A 72 -1.458 15.942 0.031 1.00 0.00 N ATOM 1091 CA CYS A 72 -0.847 14.799 0.696 1.00 0.00 C ATOM 1092 C CYS A 72 -0.272 15.200 2.065 1.00 0.00 C ATOM 1093 O CYS A 72 -0.333 14.426 3.016 1.00 0.00 O ATOM 1094 CB CYS A 72 0.211 14.157 -0.213 1.00 0.00 C ATOM 1095 SG CYS A 72 -0.168 12.394 -0.355 1.00 0.00 S ATOM 0 H CYS A 72 -1.007 16.212 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.616 14.050 0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.205 14.628 -1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.208 14.300 0.203 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.237 12.237 -1.079 1.00 0.00 H new ATOM 1101 N GLN A 73 0.200 16.441 2.209 1.00 0.00 N ATOM 1102 CA GLN A 73 0.604 17.066 3.463 1.00 0.00 C ATOM 1103 C GLN A 73 -0.529 17.118 4.500 1.00 0.00 C ATOM 1104 O GLN A 73 -0.241 17.277 5.692 1.00 0.00 O ATOM 1105 CB GLN A 73 1.118 18.486 3.156 1.00 0.00 C ATOM 1106 CG GLN A 73 2.620 18.496 2.843 1.00 0.00 C ATOM 1107 CD GLN A 73 3.095 19.905 2.507 1.00 0.00 C ATOM 1108 OE1 GLN A 73 3.054 20.795 3.347 1.00 0.00 O ATOM 1109 NE2 GLN A 73 3.543 20.154 1.289 1.00 0.00 N ATOM 0 H GLN A 73 0.315 17.066 1.411 1.00 0.00 H new ATOM 0 HA GLN A 73 1.391 16.457 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.568 18.896 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.921 19.136 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.177 18.114 3.699 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.826 17.829 2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.574 19.408 0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.858 21.093 1.043 1.00 0.00 H new ATOM 1118 N LYS A 74 -1.800 17.009 4.097 1.00 0.00 N ATOM 1119 CA LYS A 74 -2.932 16.899 5.005 1.00 0.00 C ATOM 1120 C LYS A 74 -3.155 15.427 5.328 1.00 0.00 C ATOM 1121 O LYS A 74 -3.205 15.068 6.502 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.186 17.521 4.380 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.938 18.893 3.735 1.00 0.00 C ATOM 1124 CD LYS A 74 -5.258 19.654 3.577 1.00 0.00 C ATOM 1125 CE LYS A 74 -5.173 20.673 2.440 1.00 0.00 C ATOM 1126 NZ LYS A 74 -6.322 21.599 2.443 1.00 0.00 N ATOM 0 H LYS A 74 -2.068 16.995 3.113 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.722 17.444 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.581 16.841 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.952 17.624 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.248 19.472 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.466 18.764 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.066 18.950 3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.501 20.164 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.248 21.242 2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.132 20.149 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.226 22.273 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.204 21.059 2.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.347 22.118 3.344 1.00 0.00 H new ATOM 1140 N ALA A 75 -3.256 14.587 4.291 1.00 0.00 N ATOM 1141 CA ALA A 75 -3.497 13.153 4.419 1.00 0.00 C ATOM 1142 C ALA A 75 -2.490 12.508 5.372 1.00 0.00 C ATOM 1143 O ALA A 75 -2.891 11.729 6.231 1.00 0.00 O ATOM 1144 CB ALA A 75 -3.440 12.492 3.036 1.00 0.00 C ATOM 0 H ALA A 75 -3.170 14.895 3.323 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.491 13.003 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.620 11.422 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.203 12.930 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.456 12.654 2.595 1.00 0.00 H new ATOM 1150 N MET A 76 -1.212 12.883 5.243 1.00 0.00 N ATOM 1151 CA MET A 76 -0.070 12.407 6.007 1.00 0.00 C ATOM 1152 C MET A 76 -0.411 12.349 7.493 1.00 0.00 C ATOM 1153 O MET A 76 -0.627 11.266 8.028 1.00 0.00 O ATOM 1154 CB MET A 76 1.155 13.282 5.648 1.00 0.00 C ATOM 1155 CG MET A 76 2.313 13.289 6.655 1.00 0.00 C ATOM 1156 SD MET A 76 2.871 11.682 7.275 1.00 0.00 S ATOM 1157 CE MET A 76 4.197 11.364 6.094 1.00 0.00 C ATOM 0 H MET A 76 -0.937 13.578 4.549 1.00 0.00 H new ATOM 0 HA MET A 76 0.191 11.381 5.747 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.542 12.947 4.686 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.813 14.308 5.515 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.164 13.787 6.190 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.016 13.897 7.509 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.698 10.431 6.352 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.779 11.286 5.090 1.00 0.00 H new ATOM 0 HE3 MET A 76 4.916 12.183 6.125 1.00 0.00 H new ATOM 1167 N GLN A 77 -0.485 13.503 8.163 1.00 0.00 N ATOM 1168 CA GLN A 77 -0.694 13.505 9.606 1.00 0.00 C ATOM 1169 C GLN A 77 -2.161 13.229 9.957 1.00 0.00 C ATOM 1170 O GLN A 77 -2.454 12.861 11.096 1.00 0.00 O ATOM 1171 CB GLN A 77 -0.220 14.817 10.238 1.00 0.00 C ATOM 1172 CG GLN A 77 1.224 15.189 9.867 1.00 0.00 C ATOM 1173 CD GLN A 77 1.724 16.348 10.719 1.00 0.00 C ATOM 1174 OE1 GLN A 77 1.863 16.219 11.934 1.00 0.00 O ATOM 1175 NE2 GLN A 77 1.968 17.497 10.114 1.00 0.00 N ATOM 0 H GLN A 77 -0.405 14.426 7.737 1.00 0.00 H new ATOM 0 HA GLN A 77 -0.092 12.698 10.022 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.886 15.622 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.300 14.738 11.322 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.873 14.324 10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.274 15.460 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.845 17.578 9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.279 18.303 10.656 1.00 0.00 H new ATOM 1184 N GLY A 78 -3.087 13.402 9.010 1.00 0.00 N ATOM 1185 CA GLY A 78 -4.508 13.220 9.250 1.00 0.00 C ATOM 1186 C GLY A 78 -4.889 11.750 9.373 1.00 0.00 C ATOM 1187 O GLY A 78 -5.878 11.436 10.037 1.00 0.00 O ATOM 0 H GLY A 78 -2.864 13.674 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.790 13.744 10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.073 13.673 8.435 1.00 0.00 H new ATOM 1191 N LEU A 79 -4.108 10.845 8.773 1.00 0.00 N ATOM 1192 CA LEU A 79 -4.415 9.419 8.697 1.00 0.00 C ATOM 1193 C LEU A 79 -3.388 8.571 9.460 1.00 0.00 C ATOM 1194 O LEU A 79 -3.488 7.339 9.467 1.00 0.00 O ATOM 1195 CB LEU A 79 -4.591 9.010 7.221 1.00 0.00 C ATOM 1196 CG LEU A 79 -5.820 9.675 6.552 1.00 0.00 C ATOM 1197 CD1 LEU A 79 -5.837 9.433 5.049 1.00 0.00 C ATOM 1198 CD2 LEU A 79 -7.137 9.141 7.130 1.00 0.00 C ATOM 0 H LEU A 79 -3.229 11.092 8.319 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.361 9.223 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.692 9.278 6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.692 7.926 7.159 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.733 10.742 6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.713 9.914 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.934 9.850 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.876 8.361 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.976 9.631 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.197 8.065 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.175 9.347 8.200 1.00 0.00 H new ATOM 1210 N THR A 80 -2.433 9.199 10.149 1.00 0.00 N ATOM 1211 CA THR A 80 -1.538 8.558 11.102 1.00 0.00 C ATOM 1212 C THR A 80 -2.357 7.819 12.174 1.00 0.00 C ATOM 1213 O THR A 80 -2.936 8.454 13.054 1.00 0.00 O ATOM 1214 CB THR A 80 -0.618 9.631 11.721 1.00 0.00 C ATOM 1215 OG1 THR A 80 0.084 10.304 10.699 1.00 0.00 O ATOM 1216 CG2 THR A 80 0.401 9.002 12.664 1.00 0.00 C ATOM 0 H THR A 80 -2.260 10.200 10.053 1.00 0.00 H new ATOM 0 HA THR A 80 -0.915 7.817 10.601 1.00 0.00 H new ATOM 0 HB THR A 80 -1.246 10.326 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.778 10.870 11.097 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.036 9.781 13.086 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.120 8.483 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.017 8.291 12.113 1.00 0.00 H new ATOM 1224 N GLY A 81 -2.382 6.481 12.138 1.00 0.00 N ATOM 1225 CA GLY A 81 -3.073 5.665 13.140 1.00 0.00 C ATOM 1226 C GLY A 81 -4.547 5.402 12.818 1.00 0.00 C ATOM 1227 O GLY A 81 -5.269 4.859 13.658 1.00 0.00 O ATOM 0 H GLY A 81 -1.922 5.934 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.556 4.710 13.235 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.006 6.162 14.108 1.00 0.00 H new ATOM 1231 N ARG A 82 -5.023 5.770 11.625 1.00 0.00 N ATOM 1232 CA ARG A 82 -6.337 5.365 11.130 1.00 0.00 C ATOM 1233 C ARG A 82 -6.351 3.884 10.737 1.00 0.00 C ATOM 1234 O ARG A 82 -5.376 3.174 10.992 1.00 0.00 O ATOM 1235 CB ARG A 82 -6.721 6.313 9.989 1.00 0.00 C ATOM 1236 CG ARG A 82 -7.226 7.656 10.532 1.00 0.00 C ATOM 1237 CD ARG A 82 -8.613 7.552 11.176 1.00 0.00 C ATOM 1238 NE ARG A 82 -9.137 8.886 11.485 1.00 0.00 N ATOM 1239 CZ ARG A 82 -8.761 9.672 12.496 1.00 0.00 C ATOM 1240 NH1 ARG A 82 -8.055 9.199 13.515 1.00 0.00 N ATOM 1241 NH2 ARG A 82 -9.109 10.948 12.451 1.00 0.00 N ATOM 0 H ARG A 82 -4.504 6.360 10.975 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.092 5.448 11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.858 6.479 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.494 5.852 9.374 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.516 8.035 11.267 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.261 8.381 9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.295 7.034 10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.553 6.958 12.088 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.861 9.250 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.788 8.215 13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.779 9.820 14.276 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.648 11.302 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.839 11.577 13.207 1.00 0.00 H new ATOM 1255 N LYS A 83 -7.462 3.397 10.165 1.00 0.00 N ATOM 1256 CA LYS A 83 -7.689 1.973 9.918 1.00 0.00 C ATOM 1257 C LYS A 83 -8.219 1.768 8.506 1.00 0.00 C ATOM 1258 O LYS A 83 -9.413 1.912 8.260 1.00 0.00 O ATOM 1259 CB LYS A 83 -8.630 1.340 10.958 1.00 0.00 C ATOM 1260 CG LYS A 83 -8.215 1.610 12.411 1.00 0.00 C ATOM 1261 CD LYS A 83 -8.752 0.527 13.355 1.00 0.00 C ATOM 1262 CE LYS A 83 -8.866 1.080 14.776 1.00 0.00 C ATOM 1263 NZ LYS A 83 -10.238 1.503 15.107 1.00 0.00 N ATOM 0 H LYS A 83 -8.234 3.990 9.859 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.730 1.464 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.639 1.721 10.801 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.666 0.263 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.128 1.649 12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.589 2.585 12.723 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.728 0.184 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.088 -0.337 13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.542 0.319 15.486 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.190 1.928 14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.263 1.870 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.540 2.249 14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.881 0.689 15.027 1.00 0.00 H new ATOM 1277 N PHE A 84 -7.327 1.410 7.588 1.00 0.00 N ATOM 1278 CA PHE A 84 -7.564 1.254 6.148 1.00 0.00 C ATOM 1279 C PHE A 84 -8.160 -0.123 5.793 1.00 0.00 C ATOM 1280 O PHE A 84 -8.051 -0.579 4.656 1.00 0.00 O ATOM 1281 CB PHE A 84 -6.228 1.563 5.433 1.00 0.00 C ATOM 1282 CG PHE A 84 -6.093 2.979 4.906 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -6.485 4.070 5.704 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -5.489 3.222 3.660 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -6.393 5.381 5.205 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -5.335 4.538 3.189 1.00 0.00 C ATOM 1287 CZ PHE A 84 -5.843 5.611 3.933 1.00 0.00 C ATOM 0 H PHE A 84 -6.359 1.208 7.840 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.326 1.954 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.410 1.370 6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.110 0.869 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.858 3.899 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.141 2.393 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.745 6.211 5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.826 4.721 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.812 6.612 3.530 1.00 0.00 H new ATOM 1297 N ALA A 85 -8.744 -0.803 6.783 1.00 0.00 N ATOM 1298 CA ALA A 85 -9.544 -2.020 6.725 1.00 0.00 C ATOM 1299 C ALA A 85 -9.960 -2.271 8.169 1.00 0.00 C ATOM 1300 O ALA A 85 -10.967 -1.745 8.644 1.00 0.00 O ATOM 1301 CB ALA A 85 -8.769 -3.208 6.114 1.00 0.00 C ATOM 0 H ALA A 85 -8.656 -0.476 7.745 1.00 0.00 H new ATOM 0 HA ALA A 85 -10.407 -1.910 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.410 -4.089 6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.463 -2.959 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.886 -3.416 6.718 1.00 0.00 H new ATOM 1307 N ASN A 86 -9.098 -2.944 8.931 1.00 0.00 N ATOM 1308 CA ASN A 86 -9.323 -3.255 10.341 1.00 0.00 C ATOM 1309 C ASN A 86 -8.099 -2.888 11.185 1.00 0.00 C ATOM 1310 O ASN A 86 -8.246 -2.627 12.379 1.00 0.00 O ATOM 1311 CB ASN A 86 -9.671 -4.750 10.446 1.00 0.00 C ATOM 1312 CG ASN A 86 -10.258 -5.241 11.771 1.00 0.00 C ATOM 1313 OD1 ASN A 86 -10.684 -6.388 11.870 1.00 0.00 O ATOM 1314 ND2 ASN A 86 -10.271 -4.465 12.841 1.00 0.00 N ATOM 0 H ASN A 86 -8.207 -3.294 8.578 1.00 0.00 H new ATOM 0 HA ASN A 86 -10.150 -2.664 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.381 -4.988 9.654 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.765 -5.322 10.245 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.630 -4.823 13.726 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.922 -3.508 12.782 1.00 0.00 H new ATOM 1321 N ARG A 87 -6.898 -2.841 10.592 1.00 0.00 N ATOM 1322 CA ARG A 87 -5.648 -2.782 11.357 1.00 0.00 C ATOM 1323 C ARG A 87 -5.220 -1.340 11.555 1.00 0.00 C ATOM 1324 O ARG A 87 -5.829 -0.421 11.008 1.00 0.00 O ATOM 1325 CB ARG A 87 -4.528 -3.621 10.702 1.00 0.00 C ATOM 1326 CG ARG A 87 -5.066 -4.947 10.157 1.00 0.00 C ATOM 1327 CD ARG A 87 -4.016 -6.025 9.881 1.00 0.00 C ATOM 1328 NE ARG A 87 -3.325 -6.568 11.071 1.00 0.00 N ATOM 1329 CZ ARG A 87 -3.832 -7.316 12.064 1.00 0.00 C ATOM 1330 NH1 ARG A 87 -5.120 -7.283 12.400 1.00 0.00 N ATOM 1331 NH2 ARG A 87 -3.019 -8.118 12.734 1.00 0.00 N ATOM 0 H ARG A 87 -6.767 -2.843 9.580 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.834 -3.223 12.336 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.072 -3.052 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.744 -3.818 11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.790 -5.344 10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.606 -4.746 9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.498 -6.850 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.267 -5.612 9.206 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.333 -6.345 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.763 -6.673 11.896 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.464 -7.868 13.161 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.029 -8.159 12.492 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.383 -8.695 13.492 1.00 0.00 H new ATOM 1345 N VAL A 88 -4.173 -1.140 12.345 1.00 0.00 N ATOM 1346 CA VAL A 88 -3.592 0.182 12.575 1.00 0.00 C ATOM 1347 C VAL A 88 -2.675 0.523 11.395 1.00 0.00 C ATOM 1348 O VAL A 88 -2.309 -0.352 10.608 1.00 0.00 O ATOM 1349 CB VAL A 88 -2.833 0.227 13.930 1.00 0.00 C ATOM 1350 CG1 VAL A 88 -2.690 1.674 14.440 1.00 0.00 C ATOM 1351 CG2 VAL A 88 -3.546 -0.593 15.024 1.00 0.00 C ATOM 0 H VAL A 88 -3.699 -1.891 12.847 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.382 0.930 12.638 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.851 -0.206 13.737 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.155 1.674 15.390 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.135 2.264 13.711 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.679 2.110 14.581 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.979 -0.532 15.953 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.547 -0.193 15.184 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.617 -1.634 14.710 1.00 0.00 H new ATOM 1361 N VAL A 89 -2.290 1.793 11.273 1.00 0.00 N ATOM 1362 CA VAL A 89 -1.533 2.321 10.150 1.00 0.00 C ATOM 1363 C VAL A 89 -0.377 3.167 10.669 1.00 0.00 C ATOM 1364 O VAL A 89 -0.514 3.895 11.656 1.00 0.00 O ATOM 1365 CB VAL A 89 -2.496 3.155 9.280 1.00 0.00 C ATOM 1366 CG1 VAL A 89 -1.787 3.891 8.146 1.00 0.00 C ATOM 1367 CG2 VAL A 89 -3.525 2.263 8.595 1.00 0.00 C ATOM 0 H VAL A 89 -2.505 2.500 11.976 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.109 1.517 9.548 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.951 3.864 9.972 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.516 4.460 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.043 4.571 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.294 3.169 7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.191 2.876 7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.014 1.542 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.106 1.733 9.349 1.00 0.00 H new ATOM 1377 N VAL A 90 0.742 3.123 9.948 1.00 0.00 N ATOM 1378 CA VAL A 90 1.875 4.018 10.121 1.00 0.00 C ATOM 1379 C VAL A 90 2.162 4.628 8.755 1.00 0.00 C ATOM 1380 O VAL A 90 2.431 3.897 7.801 1.00 0.00 O ATOM 1381 CB VAL A 90 3.079 3.260 10.709 1.00 0.00 C ATOM 1382 CG1 VAL A 90 4.271 4.197 10.933 1.00 0.00 C ATOM 1383 CG2 VAL A 90 2.710 2.649 12.064 1.00 0.00 C ATOM 0 H VAL A 90 0.885 2.440 9.204 1.00 0.00 H new ATOM 0 HA VAL A 90 1.660 4.814 10.834 1.00 0.00 H new ATOM 0 HB VAL A 90 3.349 2.483 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.105 3.632 11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.570 4.639 9.983 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.987 4.988 11.627 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.570 2.116 12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.417 3.441 12.753 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.880 1.954 11.936 1.00 0.00 H new ATOM 1393 N THR A 91 2.021 5.945 8.664 1.00 0.00 N ATOM 1394 CA THR A 91 2.310 6.788 7.516 1.00 0.00 C ATOM 1395 C THR A 91 3.822 7.081 7.444 1.00 0.00 C ATOM 1396 O THR A 91 4.544 7.075 8.454 1.00 0.00 O ATOM 1397 CB THR A 91 1.491 8.094 7.690 1.00 0.00 C ATOM 1398 OG1 THR A 91 1.288 8.373 9.067 1.00 0.00 O ATOM 1399 CG2 THR A 91 0.112 7.957 7.043 1.00 0.00 C ATOM 0 H THR A 91 1.675 6.491 9.453 1.00 0.00 H new ATOM 0 HA THR A 91 2.033 6.296 6.584 1.00 0.00 H new ATOM 0 HB THR A 91 2.055 8.897 7.215 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.771 9.200 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.446 8.884 7.176 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.228 7.753 5.979 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.430 7.136 7.512 1.00 0.00 H new ATOM 1407 N LYS A 92 4.298 7.358 6.231 1.00 0.00 N ATOM 1408 CA LYS A 92 5.634 7.795 5.844 1.00 0.00 C ATOM 1409 C LYS A 92 5.469 8.571 4.536 1.00 0.00 C ATOM 1410 O LYS A 92 4.562 8.264 3.762 1.00 0.00 O ATOM 1411 CB LYS A 92 6.505 6.556 5.561 1.00 0.00 C ATOM 1412 CG LYS A 92 7.794 6.475 6.389 1.00 0.00 C ATOM 1413 CD LYS A 92 9.035 6.293 5.505 1.00 0.00 C ATOM 1414 CE LYS A 92 9.571 7.637 5.005 1.00 0.00 C ATOM 1415 NZ LYS A 92 10.309 7.517 3.733 1.00 0.00 N ATOM 0 H LYS A 92 3.694 7.272 5.414 1.00 0.00 H new ATOM 0 HA LYS A 92 6.098 8.398 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.912 5.661 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.768 6.548 4.503 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.901 7.383 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.723 5.643 7.090 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.812 5.778 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.786 5.660 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.739 8.329 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.227 8.066 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.066 8.230 3.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.726 6.567 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.657 7.670 2.937 1.00 0.00 H new ATOM 1429 N TYR A 93 6.317 9.552 4.242 1.00 0.00 N ATOM 1430 CA TYR A 93 6.460 10.019 2.867 1.00 0.00 C ATOM 1431 C TYR A 93 7.141 8.915 2.033 1.00 0.00 C ATOM 1432 O TYR A 93 7.821 8.051 2.593 1.00 0.00 O ATOM 1433 CB TYR A 93 7.258 11.341 2.809 1.00 0.00 C ATOM 1434 CG TYR A 93 6.569 12.584 3.373 1.00 0.00 C ATOM 1435 CD1 TYR A 93 5.230 12.890 3.055 1.00 0.00 C ATOM 1436 CD2 TYR A 93 7.305 13.496 4.155 1.00 0.00 C ATOM 1437 CE1 TYR A 93 4.631 14.080 3.519 1.00 0.00 C ATOM 1438 CE2 TYR A 93 6.713 14.682 4.632 1.00 0.00 C ATOM 1439 CZ TYR A 93 5.368 14.981 4.320 1.00 0.00 C ATOM 1440 OH TYR A 93 4.785 16.139 4.752 1.00 0.00 O ATOM 0 H TYR A 93 6.906 10.032 4.923 1.00 0.00 H new ATOM 0 HA TYR A 93 5.474 10.226 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.195 11.197 3.348 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.516 11.537 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.656 12.205 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.337 13.283 4.392 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.606 14.303 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.289 15.365 5.238 1.00 0.00 H new ATOM 0 HH TYR A 93 5.426 16.646 5.292 1.00 0.00 H new ATOM 1450 N CYS A 94 7.023 8.936 0.704 1.00 0.00 N ATOM 1451 CA CYS A 94 7.795 8.101 -0.215 1.00 0.00 C ATOM 1452 C CYS A 94 8.499 8.993 -1.248 1.00 0.00 C ATOM 1453 O CYS A 94 8.633 10.205 -1.034 1.00 0.00 O ATOM 1454 CB CYS A 94 6.889 7.024 -0.830 1.00 0.00 C ATOM 1455 SG CYS A 94 7.691 5.405 -0.723 1.00 0.00 S ATOM 0 H CYS A 94 6.368 9.553 0.224 1.00 0.00 H new ATOM 0 HA CYS A 94 8.581 7.564 0.315 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.932 7.000 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.678 7.266 -1.872 1.00 0.00 H new ATOM 0 HG CYS A 94 7.210 4.621 -1.642 1.00 0.00 H new ATOM 1461 N ASP A 95 8.987 8.417 -2.345 1.00 0.00 N ATOM 1462 CA ASP A 95 9.462 9.171 -3.511 1.00 0.00 C ATOM 1463 C ASP A 95 8.451 8.964 -4.637 1.00 0.00 C ATOM 1464 O ASP A 95 7.971 7.838 -4.770 1.00 0.00 O ATOM 1465 CB ASP A 95 10.823 8.635 -3.977 1.00 0.00 C ATOM 1466 CG ASP A 95 11.966 9.169 -3.122 1.00 0.00 C ATOM 1467 OD1 ASP A 95 12.066 8.787 -1.932 1.00 0.00 O ATOM 1468 OD2 ASP A 95 12.738 10.011 -3.632 1.00 0.00 O ATOM 0 H ASP A 95 9.066 7.406 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 95 9.567 10.224 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.817 7.546 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.987 8.915 -5.018 1.00 0.00 H new ATOM 1473 N PRO A 96 8.172 9.971 -5.484 1.00 0.00 N ATOM 1474 CA PRO A 96 7.262 9.839 -6.613 1.00 0.00 C ATOM 1475 C PRO A 96 7.970 9.186 -7.794 1.00 0.00 C ATOM 1476 O PRO A 96 7.349 8.444 -8.539 1.00 0.00 O ATOM 1477 CB PRO A 96 6.841 11.261 -6.979 1.00 0.00 C ATOM 1478 CG PRO A 96 8.065 12.085 -6.594 1.00 0.00 C ATOM 1479 CD PRO A 96 8.685 11.327 -5.416 1.00 0.00 C ATOM 0 HA PRO A 96 6.405 9.214 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.608 11.354 -8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.953 11.574 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.765 12.167 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.787 13.100 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.773 11.334 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.418 11.796 -4.469 1.00 0.00 H new ATOM 1487 N ASP A 97 9.271 9.429 -7.962 1.00 0.00 N ATOM 1488 CA ASP A 97 10.038 8.876 -9.067 1.00 0.00 C ATOM 1489 C ASP A 97 9.912 7.366 -9.008 1.00 0.00 C ATOM 1490 O ASP A 97 9.438 6.734 -9.943 1.00 0.00 O ATOM 1491 CB ASP A 97 11.505 9.299 -8.950 1.00 0.00 C ATOM 1492 CG ASP A 97 12.223 9.491 -10.284 1.00 0.00 C ATOM 1493 OD1 ASP A 97 11.596 9.866 -11.304 1.00 0.00 O ATOM 1494 OD2 ASP A 97 13.470 9.384 -10.273 1.00 0.00 O ATOM 0 H ASP A 97 9.818 10.016 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 97 9.659 9.246 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.556 10.232 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 97 12.040 8.547 -8.370 1.00 0.00 H new ATOM 1499 N SER A 98 10.248 6.808 -7.847 1.00 0.00 N ATOM 1500 CA SER A 98 10.255 5.391 -7.586 1.00 0.00 C ATOM 1501 C SER A 98 8.822 4.821 -7.619 1.00 0.00 C ATOM 1502 O SER A 98 8.626 3.671 -8.007 1.00 0.00 O ATOM 1503 CB SER A 98 10.935 5.203 -6.225 1.00 0.00 C ATOM 1504 OG SER A 98 12.180 5.886 -6.201 1.00 0.00 O ATOM 0 H SER A 98 10.532 7.361 -7.039 1.00 0.00 H new ATOM 0 HA SER A 98 10.803 4.842 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.289 5.581 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.090 4.142 -6.031 1.00 0.00 H new ATOM 0 HG SER A 98 12.605 5.761 -5.327 1.00 0.00 H new ATOM 1510 N TYR A 99 7.818 5.638 -7.269 1.00 0.00 N ATOM 1511 CA TYR A 99 6.394 5.332 -7.365 1.00 0.00 C ATOM 1512 C TYR A 99 5.971 5.134 -8.820 1.00 0.00 C ATOM 1513 O TYR A 99 5.207 4.212 -9.111 1.00 0.00 O ATOM 1514 CB TYR A 99 5.592 6.472 -6.722 1.00 0.00 C ATOM 1515 CG TYR A 99 4.145 6.166 -6.466 1.00 0.00 C ATOM 1516 CD1 TYR A 99 3.199 6.289 -7.498 1.00 0.00 C ATOM 1517 CD2 TYR A 99 3.738 5.833 -5.166 1.00 0.00 C ATOM 1518 CE1 TYR A 99 1.855 5.975 -7.256 1.00 0.00 C ATOM 1519 CE2 TYR A 99 2.392 5.546 -4.918 1.00 0.00 C ATOM 1520 CZ TYR A 99 1.454 5.559 -5.971 1.00 0.00 C ATOM 1521 OH TYR A 99 0.174 5.166 -5.758 1.00 0.00 O ATOM 0 H TYR A 99 7.991 6.571 -6.895 1.00 0.00 H new ATOM 0 HA TYR A 99 6.194 4.400 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 99 6.064 6.739 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.654 7.348 -7.368 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.508 6.625 -8.477 1.00 0.00 H new ATOM 0 HD2 TYR A 99 4.459 5.798 -4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.129 6.052 -8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.069 5.313 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 99 0.116 4.690 -4.903 1.00 0.00 H new ATOM 1531 N HIS A 100 6.481 5.955 -9.741 1.00 0.00 N ATOM 1532 CA HIS A 100 6.265 5.814 -11.177 1.00 0.00 C ATOM 1533 C HIS A 100 7.010 4.605 -11.764 1.00 0.00 C ATOM 1534 O HIS A 100 6.811 4.287 -12.942 1.00 0.00 O ATOM 1535 CB HIS A 100 6.756 7.073 -11.908 1.00 0.00 C ATOM 1536 CG HIS A 100 6.169 8.391 -11.462 1.00 0.00 C ATOM 1537 ND1 HIS A 100 6.862 9.579 -11.311 1.00 0.00 N ATOM 1538 CD2 HIS A 100 4.844 8.643 -11.211 1.00 0.00 C ATOM 1539 CE1 HIS A 100 5.969 10.514 -10.958 1.00 0.00 C ATOM 1540 NE2 HIS A 100 4.725 10.012 -10.947 1.00 0.00 N ATOM 0 H HIS A 100 7.068 6.753 -9.500 1.00 0.00 H new ATOM 0 HA HIS A 100 5.194 5.669 -11.319 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.839 7.129 -11.798 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.549 6.951 -12.971 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.042 7.920 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 100 6.218 11.536 -10.715 1.00 0.00 H new ATOM 0 HE2 HIS A 100 3.861 10.528 -10.779 1.00 0.00 H new ATOM 1548 N ARG A 101 7.895 3.958 -11.002 1.00 0.00 N ATOM 1549 CA ARG A 101 8.682 2.802 -11.419 1.00 0.00 C ATOM 1550 C ARG A 101 8.134 1.547 -10.752 1.00 0.00 C ATOM 1551 O ARG A 101 7.046 1.553 -10.173 1.00 0.00 O ATOM 1552 CB ARG A 101 10.171 3.037 -11.092 1.00 0.00 C ATOM 1553 CG ARG A 101 10.724 4.279 -11.800 1.00 0.00 C ATOM 1554 CD ARG A 101 12.247 4.287 -11.959 1.00 0.00 C ATOM 1555 NE ARG A 101 12.706 3.197 -12.829 1.00 0.00 N ATOM 1556 CZ ARG A 101 12.333 2.999 -14.095 1.00 0.00 C ATOM 1557 NH1 ARG A 101 11.743 3.952 -14.811 1.00 0.00 N ATOM 1558 NH2 ARG A 101 12.538 1.804 -14.618 1.00 0.00 N ATOM 0 H ARG A 101 8.088 4.238 -10.041 1.00 0.00 H new ATOM 0 HA ARG A 101 8.606 2.663 -12.497 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.292 3.149 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.750 2.162 -11.389 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.267 4.354 -12.787 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.424 5.165 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.565 5.243 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.716 4.193 -10.980 1.00 0.00 H new ATOM 0 HE ARG A 101 13.369 2.532 -12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.564 4.866 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.470 3.769 -15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.969 1.069 -14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 101 12.266 1.616 -15.583 1.00 0.00 H new ATOM 1572 N ARG A 102 8.880 0.453 -10.849 1.00 0.00 N ATOM 1573 CA ARG A 102 8.767 -0.707 -9.992 1.00 0.00 C ATOM 1574 C ARG A 102 10.025 -0.649 -9.140 1.00 0.00 C ATOM 1575 O ARG A 102 10.985 -1.390 -9.379 1.00 0.00 O ATOM 1576 CB ARG A 102 8.640 -1.978 -10.845 1.00 0.00 C ATOM 1577 CG ARG A 102 8.595 -3.257 -10.005 1.00 0.00 C ATOM 1578 CD ARG A 102 7.158 -3.719 -9.856 1.00 0.00 C ATOM 1579 NE ARG A 102 7.041 -4.675 -8.744 1.00 0.00 N ATOM 1580 CZ ARG A 102 6.833 -5.992 -8.806 1.00 0.00 C ATOM 1581 NH1 ARG A 102 6.683 -6.620 -9.968 1.00 0.00 N ATOM 1582 NH2 ARG A 102 6.772 -6.665 -7.666 1.00 0.00 N ATOM 0 H ARG A 102 9.607 0.352 -11.557 1.00 0.00 H new ATOM 0 HA ARG A 102 7.880 -0.720 -9.359 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.736 -1.915 -11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.482 -2.032 -11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.191 -4.037 -10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.032 -3.075 -9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 102 6.510 -2.861 -9.677 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.821 -4.185 -10.782 1.00 0.00 H new ATOM 0 HE ARG A 102 7.130 -4.282 -7.807 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.726 -6.094 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.525 -7.628 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.883 -6.175 -6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.614 -7.673 -7.676 1.00 0.00 H new ATOM 1596 N ASP A 103 10.069 0.284 -8.195 1.00 0.00 N ATOM 1597 CA ASP A 103 11.214 0.439 -7.307 1.00 0.00 C ATOM 1598 C ASP A 103 10.703 0.809 -5.922 1.00 0.00 C ATOM 1599 O ASP A 103 10.396 1.968 -5.642 1.00 0.00 O ATOM 1600 CB ASP A 103 12.229 1.444 -7.875 1.00 0.00 C ATOM 1601 CG ASP A 103 13.636 0.984 -7.505 1.00 0.00 C ATOM 1602 OD1 ASP A 103 14.082 -0.029 -8.096 1.00 0.00 O ATOM 1603 OD2 ASP A 103 14.260 1.571 -6.596 1.00 0.00 O ATOM 0 H ASP A 103 9.316 0.950 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 103 11.762 -0.500 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.127 1.512 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.040 2.440 -7.474 1.00 0.00 H new ATOM 1608 N PHE A 104 10.485 -0.198 -5.075 1.00 0.00 N ATOM 1609 CA PHE A 104 9.803 -0.031 -3.797 1.00 0.00 C ATOM 1610 C PHE A 104 10.600 -0.760 -2.719 1.00 0.00 C ATOM 1611 O PHE A 104 11.284 -1.735 -3.014 1.00 0.00 O ATOM 1612 CB PHE A 104 8.368 -0.581 -3.871 1.00 0.00 C ATOM 1613 CG PHE A 104 7.612 -0.443 -5.185 1.00 0.00 C ATOM 1614 CD1 PHE A 104 7.436 0.808 -5.807 1.00 0.00 C ATOM 1615 CD2 PHE A 104 7.046 -1.591 -5.773 1.00 0.00 C ATOM 1616 CE1 PHE A 104 6.741 0.899 -7.024 1.00 0.00 C ATOM 1617 CE2 PHE A 104 6.324 -1.496 -6.975 1.00 0.00 C ATOM 1618 CZ PHE A 104 6.179 -0.252 -7.606 1.00 0.00 C ATOM 0 H PHE A 104 10.780 -1.157 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 104 9.739 1.030 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.404 -1.640 -3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.782 -0.087 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.836 1.699 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.168 -2.552 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.638 1.856 -7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 104 5.882 -2.379 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.637 -0.178 -8.537 1.00 0.00 H new