USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1005 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 87 LYS NZ :NH3+ 155:sc= 2.24 (180deg=0.137) USER MOD Set 1.2: A 136 THR OG1 : rot 75:sc= 2.04 USER MOD Set 2.1: A 46 THR OG1 : rot 75:sc= 1.94 USER MOD Set 2.2: A 81 TYR OH : rot -3:sc= 0.722 USER MOD Set 3.1: A 74 ASN : amide:sc= 0.449 X(o=1.1,f=1.3) USER MOD Set 3.2: A 77 SER OG : rot 180:sc= 0.637 USER MOD Set 4.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 70 TYR OH : rot -39:sc= 1.35 USER MOD Set 5.1: A 28 GLN : amide:sc= 1.46 K(o=3.4,f=-4.7!) USER MOD Set 5.2: A 47 LYS NZ :NH3+ -150:sc= 1.9 (180deg=0.62) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 85:sc= 1.35 USER MOD Single : A 13 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 16 MET CE :methyl 150:sc=-0.00626 (180deg=-0.252) USER MOD Single : A 21 SER OG : rot 96:sc= 1.23 USER MOD Single : A 23 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.029) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.17) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0.998) USER MOD Single : A 40 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.042) USER MOD Single : A 42 SER OG : rot 78:sc= 1.23 USER MOD Single : A 44 SER OG : rot 76:sc= 1.19 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.21) USER MOD Single : A 54 SER OG : rot -120:sc= 0.031 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 64 ASN : amide:sc= 1.96 K(o=2,f=-0.072) USER MOD Single : A 67 SER OG : rot -166:sc= 0.821 USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.2 (180deg=1.11) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 1.36 (180deg=1.29) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 82:sc= 1.08 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 0.931 (180deg=0.49) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= 2.35 (180deg=2.21) USER MOD Single : A 105 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.099) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 131 SER OG : rot 74:sc= 1.24 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.041 8.193 6.140 1.00 0.00 N ATOM 53 CA ASN A 4 5.798 9.399 6.453 1.00 0.00 C ATOM 54 C ASN A 4 6.941 9.134 7.435 1.00 0.00 C ATOM 55 O ASN A 4 7.980 9.775 7.319 1.00 0.00 O ATOM 56 CB ASN A 4 4.863 10.474 7.026 1.00 0.00 C ATOM 57 CG ASN A 4 5.639 11.723 7.443 1.00 0.00 C ATOM 58 OD1 ASN A 4 5.879 11.952 8.625 1.00 0.00 O ATOM 59 ND2 ASN A 4 6.044 12.552 6.494 1.00 0.00 N ATOM 0 HA ASN A 4 6.242 9.749 5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.114 10.741 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.328 10.072 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.563 13.395 6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.837 12.348 5.516 1.00 0.00 H new ATOM 66 N HIS A 5 6.779 8.211 8.389 1.00 0.00 N ATOM 67 CA HIS A 5 7.744 8.059 9.476 1.00 0.00 C ATOM 68 C HIS A 5 9.099 7.550 8.969 1.00 0.00 C ATOM 69 O HIS A 5 10.135 8.051 9.407 1.00 0.00 O ATOM 70 CB HIS A 5 7.180 7.140 10.568 1.00 0.00 C ATOM 71 CG HIS A 5 5.879 7.634 11.160 1.00 0.00 C ATOM 72 ND1 HIS A 5 5.680 8.826 11.824 1.00 0.00 N ATOM 73 CD2 HIS A 5 4.674 6.982 11.137 1.00 0.00 C ATOM 74 CE1 HIS A 5 4.388 8.890 12.188 1.00 0.00 C ATOM 75 NE2 HIS A 5 3.729 7.784 11.791 1.00 0.00 N ATOM 0 H HIS A 5 5.993 7.563 8.428 1.00 0.00 H new ATOM 0 HA HIS A 5 7.916 9.045 9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.025 6.145 10.150 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.918 7.040 11.364 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.485 6.016 10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.940 9.714 12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.742 7.573 11.937 1.00 0.00 H new ATOM 83 N GLU A 6 9.109 6.605 8.019 1.00 0.00 N ATOM 84 CA GLU A 6 10.355 6.139 7.402 1.00 0.00 C ATOM 85 C GLU A 6 10.961 7.276 6.591 1.00 0.00 C ATOM 86 O GLU A 6 12.155 7.538 6.669 1.00 0.00 O ATOM 87 CB GLU A 6 10.085 4.969 6.445 1.00 0.00 C ATOM 88 CG GLU A 6 9.993 3.610 7.141 1.00 0.00 C ATOM 89 CD GLU A 6 9.354 2.600 6.182 1.00 0.00 C ATOM 90 OE1 GLU A 6 8.109 2.495 6.186 1.00 0.00 O ATOM 91 OE2 GLU A 6 10.077 1.980 5.368 1.00 0.00 O ATOM 0 H GLU A 6 8.269 6.150 7.663 1.00 0.00 H new ATOM 0 HA GLU A 6 11.030 5.813 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.154 5.157 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.879 4.932 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.986 3.271 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.399 3.693 8.051 1.00 0.00 H new ATOM 98 N ILE A 7 10.133 7.957 5.809 1.00 0.00 N ATOM 99 CA ILE A 7 10.577 8.959 4.861 1.00 0.00 C ATOM 100 C ILE A 7 11.198 10.157 5.594 1.00 0.00 C ATOM 101 O ILE A 7 12.246 10.650 5.176 1.00 0.00 O ATOM 102 CB ILE A 7 9.342 9.306 3.993 1.00 0.00 C ATOM 103 CG1 ILE A 7 8.912 8.134 3.074 1.00 0.00 C ATOM 104 CG2 ILE A 7 9.509 10.607 3.191 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.858 7.795 1.918 1.00 0.00 C ATOM 0 H ILE A 7 9.122 7.824 5.819 1.00 0.00 H new ATOM 0 HA ILE A 7 11.375 8.602 4.209 1.00 0.00 H new ATOM 0 HB ILE A 7 8.535 9.478 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.792 7.243 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.932 8.368 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.609 10.791 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.672 11.439 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.365 10.515 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.451 6.960 1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.963 8.663 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.835 7.520 2.316 1.00 0.00 H new ATOM 117 N ASP A 8 10.612 10.590 6.711 1.00 0.00 N ATOM 118 CA ASP A 8 11.175 11.639 7.557 1.00 0.00 C ATOM 119 C ASP A 8 12.498 11.190 8.178 1.00 0.00 C ATOM 120 O ASP A 8 13.441 11.980 8.259 1.00 0.00 O ATOM 121 CB ASP A 8 10.180 12.006 8.660 1.00 0.00 C ATOM 122 CG ASP A 8 10.776 13.055 9.613 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.839 14.247 9.239 1.00 0.00 O ATOM 124 OD2 ASP A 8 11.142 12.700 10.756 1.00 0.00 O ATOM 0 H ASP A 8 9.727 10.219 7.055 1.00 0.00 H new ATOM 0 HA ASP A 8 11.368 12.514 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.264 12.393 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.908 11.112 9.221 1.00 0.00 H new ATOM 129 N THR A 9 12.598 9.911 8.554 1.00 0.00 N ATOM 130 CA THR A 9 13.844 9.307 9.004 1.00 0.00 C ATOM 131 C THR A 9 14.899 9.390 7.891 1.00 0.00 C ATOM 132 O THR A 9 16.033 9.792 8.159 1.00 0.00 O ATOM 133 CB THR A 9 13.532 7.869 9.495 1.00 0.00 C ATOM 134 OG1 THR A 9 13.575 7.820 10.909 1.00 0.00 O ATOM 135 CG2 THR A 9 14.406 6.746 8.925 1.00 0.00 C ATOM 0 H THR A 9 11.808 9.266 8.553 1.00 0.00 H new ATOM 0 HA THR A 9 14.279 9.845 9.846 1.00 0.00 H new ATOM 0 HB THR A 9 12.533 7.670 9.108 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.375 6.909 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.090 5.791 9.344 1.00 0.00 H new ATOM 0 HG22 THR A 9 14.302 6.719 7.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.449 6.929 9.185 1.00 0.00 H new ATOM 143 N ILE A 10 14.543 9.046 6.649 1.00 0.00 N ATOM 144 CA ILE A 10 15.478 9.011 5.530 1.00 0.00 C ATOM 145 C ILE A 10 15.976 10.427 5.268 1.00 0.00 C ATOM 146 O ILE A 10 17.188 10.632 5.241 1.00 0.00 O ATOM 147 CB ILE A 10 14.808 8.345 4.303 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.677 6.829 4.571 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.582 8.594 2.992 1.00 0.00 C ATOM 150 CD1 ILE A 10 13.604 6.151 3.719 1.00 0.00 C ATOM 0 H ILE A 10 13.591 8.783 6.395 1.00 0.00 H new ATOM 0 HA ILE A 10 16.351 8.400 5.760 1.00 0.00 H new ATOM 0 HB ILE A 10 13.825 8.796 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.637 6.350 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.446 6.673 5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.066 8.104 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.638 9.666 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.590 8.189 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.567 5.088 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.635 6.604 3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.845 6.276 2.663 1.00 0.00 H new ATOM 162 N LEU A 11 15.075 11.407 5.135 1.00 0.00 N ATOM 163 CA LEU A 11 15.477 12.781 4.846 1.00 0.00 C ATOM 164 C LEU A 11 16.353 13.344 5.958 1.00 0.00 C ATOM 165 O LEU A 11 17.333 14.019 5.662 1.00 0.00 O ATOM 166 CB LEU A 11 14.259 13.695 4.602 1.00 0.00 C ATOM 167 CG LEU A 11 13.931 13.984 3.123 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.085 14.673 2.376 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.508 12.716 2.374 1.00 0.00 C ATOM 0 H LEU A 11 14.068 11.271 5.223 1.00 0.00 H new ATOM 0 HA LEU A 11 16.062 12.755 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.385 13.239 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.431 14.644 5.110 1.00 0.00 H new ATOM 0 HG LEU A 11 13.090 14.678 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.794 14.850 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.313 15.624 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.967 14.034 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.286 12.964 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.317 11.986 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.620 12.295 2.845 1.00 0.00 H new ATOM 181 N SER A 12 16.039 13.058 7.220 1.00 0.00 N ATOM 182 CA SER A 12 16.837 13.527 8.345 1.00 0.00 C ATOM 183 C SER A 12 18.198 12.842 8.388 1.00 0.00 C ATOM 184 O SER A 12 19.191 13.506 8.674 1.00 0.00 O ATOM 185 CB SER A 12 16.080 13.309 9.661 1.00 0.00 C ATOM 186 OG SER A 12 14.785 13.878 9.604 1.00 0.00 O ATOM 0 H SER A 12 15.229 12.498 7.488 1.00 0.00 H new ATOM 0 HA SER A 12 17.011 14.595 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.003 12.241 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.640 13.753 10.484 1.00 0.00 H new ATOM 0 HG SER A 12 14.164 13.238 9.197 1.00 0.00 H new ATOM 192 N THR A 13 18.281 11.548 8.081 1.00 0.00 N ATOM 193 CA THR A 13 19.555 10.847 8.107 1.00 0.00 C ATOM 194 C THR A 13 20.453 11.330 6.959 1.00 0.00 C ATOM 195 O THR A 13 21.636 11.612 7.159 1.00 0.00 O ATOM 196 CB THR A 13 19.340 9.331 8.081 1.00 0.00 C ATOM 197 OG1 THR A 13 18.439 8.931 9.097 1.00 0.00 O ATOM 198 CG2 THR A 13 20.690 8.668 8.335 1.00 0.00 C ATOM 0 H THR A 13 17.484 10.971 7.813 1.00 0.00 H new ATOM 0 HA THR A 13 20.069 11.078 9.040 1.00 0.00 H new ATOM 0 HB THR A 13 18.924 9.039 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.529 9.201 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.571 7.585 8.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.393 8.965 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.072 8.980 9.307 1.00 0.00 H new ATOM 206 N LEU A 14 19.871 11.496 5.771 1.00 0.00 N ATOM 207 CA LEU A 14 20.539 12.129 4.646 1.00 0.00 C ATOM 208 C LEU A 14 21.025 13.511 5.060 1.00 0.00 C ATOM 209 O LEU A 14 22.219 13.760 4.998 1.00 0.00 O ATOM 210 CB LEU A 14 19.598 12.212 3.430 1.00 0.00 C ATOM 211 CG LEU A 14 19.797 11.079 2.410 1.00 0.00 C ATOM 212 CD1 LEU A 14 19.811 9.660 2.999 1.00 0.00 C ATOM 213 CD2 LEU A 14 18.696 11.164 1.354 1.00 0.00 C ATOM 0 H LEU A 14 18.919 11.192 5.567 1.00 0.00 H new ATOM 0 HA LEU A 14 21.399 11.527 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.566 12.195 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.750 13.169 2.930 1.00 0.00 H new ATOM 0 HG LEU A 14 20.791 11.234 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.957 8.935 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.624 9.573 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.862 9.464 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.828 10.364 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.723 11.060 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.750 12.128 0.848 1.00 0.00 H new ATOM 225 N ARG A 15 20.144 14.397 5.531 1.00 0.00 N ATOM 226 CA ARG A 15 20.532 15.767 5.868 1.00 0.00 C ATOM 227 C ARG A 15 21.605 15.803 6.954 1.00 0.00 C ATOM 228 O ARG A 15 22.525 16.613 6.847 1.00 0.00 O ATOM 229 CB ARG A 15 19.299 16.594 6.269 1.00 0.00 C ATOM 230 CG ARG A 15 18.444 17.031 5.063 1.00 0.00 C ATOM 231 CD ARG A 15 17.087 17.566 5.544 1.00 0.00 C ATOM 232 NE ARG A 15 16.356 18.294 4.486 1.00 0.00 N ATOM 233 CZ ARG A 15 15.039 18.242 4.240 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.233 17.420 4.905 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.519 19.034 3.317 1.00 0.00 N ATOM 0 H ARG A 15 19.158 14.189 5.687 1.00 0.00 H new ATOM 0 HA ARG A 15 20.970 16.217 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.682 16.008 6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.625 17.479 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 15 18.967 17.801 4.497 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.293 16.187 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 15 16.477 16.734 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.243 18.229 6.395 1.00 0.00 H new ATOM 0 HE ARG A 15 16.911 18.899 3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.613 16.806 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.235 17.404 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.119 19.677 2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.518 19.002 3.122 1.00 0.00 H new ATOM 249 N MET A 16 21.525 14.944 7.977 1.00 0.00 N ATOM 250 CA MET A 16 22.533 14.948 9.039 1.00 0.00 C ATOM 251 C MET A 16 23.921 14.503 8.561 1.00 0.00 C ATOM 252 O MET A 16 24.914 14.890 9.180 1.00 0.00 O ATOM 253 CB MET A 16 22.071 14.159 10.282 1.00 0.00 C ATOM 254 CG MET A 16 22.214 12.641 10.181 1.00 0.00 C ATOM 255 SD MET A 16 21.774 11.696 11.671 1.00 0.00 S ATOM 256 CE MET A 16 20.028 12.142 11.897 1.00 0.00 C ATOM 0 H MET A 16 20.786 14.250 8.090 1.00 0.00 H new ATOM 0 HA MET A 16 22.641 15.990 9.339 1.00 0.00 H new ATOM 0 HB2 MET A 16 22.641 14.505 11.144 1.00 0.00 H new ATOM 0 HB3 MET A 16 21.025 14.397 10.475 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.592 12.292 9.357 1.00 0.00 H new ATOM 0 HG3 MET A 16 23.247 12.410 9.921 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.499 11.315 12.371 1.00 0.00 H new ATOM 0 HE2 MET A 16 19.957 13.027 12.529 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.578 12.352 10.927 1.00 0.00 H new ATOM 266 N GLU A 17 24.015 13.712 7.485 1.00 0.00 N ATOM 267 CA GLU A 17 25.273 13.063 7.089 1.00 0.00 C ATOM 268 C GLU A 17 25.803 13.528 5.727 1.00 0.00 C ATOM 269 O GLU A 17 26.977 13.343 5.399 1.00 0.00 O ATOM 270 CB GLU A 17 25.086 11.550 7.226 1.00 0.00 C ATOM 271 CG GLU A 17 24.631 10.819 5.967 1.00 0.00 C ATOM 272 CD GLU A 17 24.133 9.386 6.227 1.00 0.00 C ATOM 273 OE1 GLU A 17 24.703 8.657 7.072 1.00 0.00 O ATOM 274 OE2 GLU A 17 23.193 8.938 5.536 1.00 0.00 O ATOM 0 H GLU A 17 23.229 13.504 6.869 1.00 0.00 H new ATOM 0 HA GLU A 17 26.075 13.372 7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.030 11.115 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.357 11.363 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.833 11.391 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.459 10.783 5.259 1.00 0.00 H new ATOM 281 N ALA A 18 24.931 14.176 4.967 1.00 0.00 N ATOM 282 CA ALA A 18 25.226 14.831 3.707 1.00 0.00 C ATOM 283 C ALA A 18 26.139 16.035 3.914 1.00 0.00 C ATOM 284 O ALA A 18 26.091 16.721 4.940 1.00 0.00 O ATOM 285 CB ALA A 18 23.920 15.328 3.070 1.00 0.00 C ATOM 0 H ALA A 18 23.949 14.261 5.229 1.00 0.00 H new ATOM 0 HA ALA A 18 25.724 14.107 3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.141 15.820 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.257 14.482 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.434 16.035 3.742 1.00 0.00 H new ATOM 291 N ASP A 19 26.943 16.307 2.893 1.00 0.00 N ATOM 292 CA ASP A 19 27.714 17.544 2.791 1.00 0.00 C ATOM 293 C ASP A 19 26.716 18.697 2.566 1.00 0.00 C ATOM 294 O ASP A 19 25.802 18.524 1.754 1.00 0.00 O ATOM 295 CB ASP A 19 28.689 17.467 1.613 1.00 0.00 C ATOM 296 CG ASP A 19 29.489 18.772 1.479 1.00 0.00 C ATOM 297 OD1 ASP A 19 28.962 19.750 0.903 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.644 18.819 1.959 1.00 0.00 O ATOM 0 H ASP A 19 27.080 15.672 2.106 1.00 0.00 H new ATOM 0 HA ASP A 19 28.293 17.704 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.372 16.630 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.139 17.277 0.692 1.00 0.00 H new ATOM 303 N PRO A 20 26.844 19.861 3.234 1.00 0.00 N ATOM 304 CA PRO A 20 25.903 20.973 3.103 1.00 0.00 C ATOM 305 C PRO A 20 25.580 21.406 1.666 1.00 0.00 C ATOM 306 O PRO A 20 24.472 21.881 1.411 1.00 0.00 O ATOM 307 CB PRO A 20 26.518 22.129 3.896 1.00 0.00 C ATOM 308 CG PRO A 20 27.325 21.415 4.977 1.00 0.00 C ATOM 309 CD PRO A 20 27.829 20.162 4.263 1.00 0.00 C ATOM 0 HA PRO A 20 24.934 20.651 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.151 22.757 3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 20 25.753 22.776 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.148 22.031 5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 20 26.709 21.166 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.812 20.332 3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 20 27.931 19.330 4.960 1.00 0.00 H new ATOM 317 N SER A 21 26.506 21.232 0.716 1.00 0.00 N ATOM 318 CA SER A 21 26.311 21.607 -0.684 1.00 0.00 C ATOM 319 C SER A 21 25.136 20.856 -1.331 1.00 0.00 C ATOM 320 O SER A 21 24.586 21.316 -2.333 1.00 0.00 O ATOM 321 CB SER A 21 27.597 21.337 -1.480 1.00 0.00 C ATOM 322 OG SER A 21 28.759 21.704 -0.760 1.00 0.00 O ATOM 0 H SER A 21 27.421 20.822 0.903 1.00 0.00 H new ATOM 0 HA SER A 21 26.073 22.670 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.649 20.278 -1.735 1.00 0.00 H new ATOM 0 HB3 SER A 21 27.564 21.890 -2.419 1.00 0.00 H new ATOM 0 HG SER A 21 29.123 20.917 -0.303 1.00 0.00 H new ATOM 328 N LEU A 22 24.748 19.704 -0.774 1.00 0.00 N ATOM 329 CA LEU A 22 23.669 18.864 -1.282 1.00 0.00 C ATOM 330 C LEU A 22 22.290 19.375 -0.874 1.00 0.00 C ATOM 331 O LEU A 22 21.301 18.944 -1.466 1.00 0.00 O ATOM 332 CB LEU A 22 23.842 17.445 -0.724 1.00 0.00 C ATOM 333 CG LEU A 22 25.029 16.687 -1.327 1.00 0.00 C ATOM 334 CD1 LEU A 22 25.313 15.439 -0.503 1.00 0.00 C ATOM 335 CD2 LEU A 22 24.749 16.236 -2.757 1.00 0.00 C ATOM 0 H LEU A 22 25.190 19.324 0.063 1.00 0.00 H new ATOM 0 HA LEU A 22 23.726 18.880 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 22 23.970 17.502 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.929 16.878 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 22 25.878 17.370 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.158 14.902 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.551 15.726 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.434 14.794 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.616 15.703 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.882 15.575 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.549 17.107 -3.381 1.00 0.00 H new ATOM 347 N HIS A 23 22.185 20.243 0.140 1.00 0.00 N ATOM 348 CA HIS A 23 20.890 20.598 0.715 1.00 0.00 C ATOM 349 C HIS A 23 19.892 21.141 -0.326 1.00 0.00 C ATOM 350 O HIS A 23 18.775 20.627 -0.340 1.00 0.00 O ATOM 351 CB HIS A 23 21.047 21.525 1.931 1.00 0.00 C ATOM 352 CG HIS A 23 21.742 20.913 3.130 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.160 21.602 4.249 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.035 19.590 3.349 1.00 0.00 C ATOM 355 CE1 HIS A 23 22.683 20.719 5.116 1.00 0.00 C ATOM 356 NE2 HIS A 23 22.632 19.474 4.610 1.00 0.00 N ATOM 0 H HIS A 23 22.981 20.709 0.575 1.00 0.00 H new ATOM 0 HA HIS A 23 20.446 19.671 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.604 22.410 1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.057 21.862 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 23 21.839 18.777 2.665 1.00 0.00 H new ATOM 0 HE1 HIS A 23 23.088 20.973 6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 23 22.962 18.618 5.055 1.00 0.00 H new ATOM 364 N PRO A 24 20.235 22.078 -1.238 1.00 0.00 N ATOM 365 CA PRO A 24 19.306 22.536 -2.275 1.00 0.00 C ATOM 366 C PRO A 24 18.747 21.404 -3.145 1.00 0.00 C ATOM 367 O PRO A 24 17.590 21.461 -3.569 1.00 0.00 O ATOM 368 CB PRO A 24 20.092 23.539 -3.129 1.00 0.00 C ATOM 369 CG PRO A 24 21.168 24.053 -2.177 1.00 0.00 C ATOM 370 CD PRO A 24 21.482 22.825 -1.327 1.00 0.00 C ATOM 0 HA PRO A 24 18.428 22.982 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.528 23.063 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.454 24.347 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 24 22.047 24.409 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.808 24.884 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.267 22.223 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.837 23.114 -0.338 1.00 0.00 H new ATOM 378 N LEU A 25 19.552 20.372 -3.423 1.00 0.00 N ATOM 379 CA LEU A 25 19.095 19.210 -4.183 1.00 0.00 C ATOM 380 C LEU A 25 18.041 18.465 -3.372 1.00 0.00 C ATOM 381 O LEU A 25 17.002 18.088 -3.915 1.00 0.00 O ATOM 382 CB LEU A 25 20.247 18.261 -4.566 1.00 0.00 C ATOM 383 CG LEU A 25 21.428 18.919 -5.303 1.00 0.00 C ATOM 384 CD1 LEU A 25 22.399 17.841 -5.789 1.00 0.00 C ATOM 385 CD2 LEU A 25 20.983 19.769 -6.502 1.00 0.00 C ATOM 0 H LEU A 25 20.528 20.321 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 25 18.666 19.570 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.624 17.790 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.846 17.466 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 25 21.914 19.585 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 25 23.233 18.311 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.775 17.278 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.881 17.165 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.858 20.207 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.454 19.140 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 25 20.321 20.564 -6.159 1.00 0.00 H new ATOM 397 N PHE A 26 18.276 18.287 -2.069 1.00 0.00 N ATOM 398 CA PHE A 26 17.340 17.563 -1.229 1.00 0.00 C ATOM 399 C PHE A 26 16.071 18.355 -0.910 1.00 0.00 C ATOM 400 O PHE A 26 15.039 17.729 -0.667 1.00 0.00 O ATOM 401 CB PHE A 26 18.017 16.970 0.014 1.00 0.00 C ATOM 402 CG PHE A 26 18.860 15.743 -0.303 1.00 0.00 C ATOM 403 CD1 PHE A 26 18.277 14.633 -0.955 1.00 0.00 C ATOM 404 CD2 PHE A 26 20.226 15.704 0.036 1.00 0.00 C ATOM 405 CE1 PHE A 26 19.048 13.510 -1.288 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.995 14.565 -0.270 1.00 0.00 C ATOM 407 CZ PHE A 26 20.408 13.471 -0.930 1.00 0.00 C ATOM 0 H PHE A 26 19.103 18.635 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 26 16.995 16.715 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.648 17.729 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.254 16.702 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.225 14.650 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.684 16.548 0.531 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.601 12.681 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 26 22.039 14.531 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 26 21.002 12.599 -1.162 1.00 0.00 H new ATOM 417 N GLU A 27 16.083 19.692 -0.981 1.00 0.00 N ATOM 418 CA GLU A 27 14.848 20.473 -0.890 1.00 0.00 C ATOM 419 C GLU A 27 13.915 20.101 -2.050 1.00 0.00 C ATOM 420 O GLU A 27 12.740 19.806 -1.826 1.00 0.00 O ATOM 421 CB GLU A 27 15.121 21.990 -0.904 1.00 0.00 C ATOM 422 CG GLU A 27 15.945 22.537 0.271 1.00 0.00 C ATOM 423 CD GLU A 27 15.386 22.130 1.643 1.00 0.00 C ATOM 424 OE1 GLU A 27 14.457 22.801 2.147 1.00 0.00 O ATOM 425 OE2 GLU A 27 15.879 21.142 2.231 1.00 0.00 O ATOM 0 H GLU A 27 16.928 20.250 -1.100 1.00 0.00 H new ATOM 0 HA GLU A 27 14.373 20.233 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.638 22.237 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.164 22.511 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.971 22.181 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.979 23.625 0.208 1.00 0.00 H new ATOM 432 N GLN A 28 14.445 20.069 -3.281 1.00 0.00 N ATOM 433 CA GLN A 28 13.671 19.708 -4.468 1.00 0.00 C ATOM 434 C GLN A 28 13.188 18.258 -4.353 1.00 0.00 C ATOM 435 O GLN A 28 12.018 17.972 -4.596 1.00 0.00 O ATOM 436 CB GLN A 28 14.532 19.864 -5.733 1.00 0.00 C ATOM 437 CG GLN A 28 14.997 21.294 -6.036 1.00 0.00 C ATOM 438 CD GLN A 28 16.201 21.271 -6.981 1.00 0.00 C ATOM 439 OE1 GLN A 28 16.082 21.075 -8.189 1.00 0.00 O ATOM 440 NE2 GLN A 28 17.394 21.442 -6.439 1.00 0.00 N ATOM 0 H GLN A 28 15.421 20.293 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 28 12.810 20.373 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.411 19.227 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.964 19.495 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.183 21.861 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.263 21.801 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.480 21.604 -5.436 1.00 0.00 H new ATOM 0 HE22 GLN A 28 18.229 21.412 -7.024 1.00 0.00 H new ATOM 449 N PHE A 29 14.087 17.361 -3.939 1.00 0.00 N ATOM 450 CA PHE A 29 13.817 15.936 -3.805 1.00 0.00 C ATOM 451 C PHE A 29 12.635 15.685 -2.863 1.00 0.00 C ATOM 452 O PHE A 29 11.684 14.995 -3.232 1.00 0.00 O ATOM 453 CB PHE A 29 15.097 15.297 -3.256 1.00 0.00 C ATOM 454 CG PHE A 29 15.017 13.829 -2.932 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.615 13.415 -1.647 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.373 12.879 -3.902 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.520 12.048 -1.350 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.259 11.513 -3.605 1.00 0.00 C ATOM 459 CZ PHE A 29 14.815 11.099 -2.339 1.00 0.00 C ATOM 0 H PHE A 29 15.041 17.615 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 29 13.545 15.502 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.894 15.445 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.388 15.833 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.380 14.150 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.732 13.197 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.221 11.727 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.514 10.777 -4.353 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.700 10.046 -2.126 1.00 0.00 H new ATOM 469 N GLU A 30 12.674 16.277 -1.665 1.00 0.00 N ATOM 470 CA GLU A 30 11.625 16.142 -0.662 1.00 0.00 C ATOM 471 C GLU A 30 10.309 16.664 -1.221 1.00 0.00 C ATOM 472 O GLU A 30 9.298 15.959 -1.216 1.00 0.00 O ATOM 473 CB GLU A 30 12.060 16.913 0.595 1.00 0.00 C ATOM 474 CG GLU A 30 10.918 17.197 1.577 1.00 0.00 C ATOM 475 CD GLU A 30 11.473 17.803 2.873 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.782 19.016 2.896 1.00 0.00 O ATOM 477 OE2 GLU A 30 11.674 17.072 3.868 1.00 0.00 O ATOM 0 H GLU A 30 13.448 16.870 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 30 11.471 15.096 -0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.834 16.343 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.509 17.859 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.201 17.882 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.381 16.275 1.799 1.00 0.00 H new ATOM 484 N LYS A 31 10.339 17.896 -1.727 1.00 0.00 N ATOM 485 CA LYS A 31 9.161 18.586 -2.211 1.00 0.00 C ATOM 486 C LYS A 31 8.473 17.765 -3.287 1.00 0.00 C ATOM 487 O LYS A 31 7.288 17.461 -3.165 1.00 0.00 O ATOM 488 CB LYS A 31 9.636 19.933 -2.741 1.00 0.00 C ATOM 489 CG LYS A 31 8.591 20.712 -3.537 1.00 0.00 C ATOM 490 CD LYS A 31 9.348 21.897 -4.124 1.00 0.00 C ATOM 491 CE LYS A 31 8.527 22.719 -5.121 1.00 0.00 C ATOM 492 NZ LYS A 31 7.227 23.183 -4.581 1.00 0.00 N ATOM 0 H LYS A 31 11.196 18.443 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 31 8.425 18.732 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.962 20.545 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.509 19.771 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.152 20.096 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.773 21.043 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.674 22.547 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.247 21.532 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.111 23.585 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.347 22.118 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.826 23.905 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.571 22.378 -4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.370 23.591 -3.635 1.00 0.00 H new ATOM 506 N PHE A 32 9.201 17.407 -4.342 1.00 0.00 N ATOM 507 CA PHE A 32 8.607 16.681 -5.447 1.00 0.00 C ATOM 508 C PHE A 32 8.176 15.269 -5.060 1.00 0.00 C ATOM 509 O PHE A 32 7.236 14.773 -5.674 1.00 0.00 O ATOM 510 CB PHE A 32 9.509 16.746 -6.684 1.00 0.00 C ATOM 511 CG PHE A 32 9.658 18.164 -7.212 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.511 18.949 -7.457 1.00 0.00 C ATOM 513 CD2 PHE A 32 10.934 18.724 -7.423 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.634 20.285 -7.865 1.00 0.00 C ATOM 515 CE2 PHE A 32 11.057 20.063 -7.836 1.00 0.00 C ATOM 516 CZ PHE A 32 9.909 20.847 -8.055 1.00 0.00 C ATOM 0 H PHE A 32 10.195 17.609 -4.449 1.00 0.00 H new ATOM 0 HA PHE A 32 7.676 17.178 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.493 16.347 -6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.096 16.110 -7.467 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.530 18.517 -7.329 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.819 18.124 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.750 20.882 -8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.037 20.491 -7.986 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.007 21.876 -8.368 1.00 0.00 H new ATOM 526 N TYR A 33 8.759 14.628 -4.041 1.00 0.00 N ATOM 527 CA TYR A 33 8.192 13.384 -3.532 1.00 0.00 C ATOM 528 C TYR A 33 6.828 13.674 -2.889 1.00 0.00 C ATOM 529 O TYR A 33 5.854 12.991 -3.205 1.00 0.00 O ATOM 530 CB TYR A 33 9.161 12.681 -2.566 1.00 0.00 C ATOM 531 CG TYR A 33 8.483 11.666 -1.665 1.00 0.00 C ATOM 532 CD1 TYR A 33 8.344 10.328 -2.076 1.00 0.00 C ATOM 533 CD2 TYR A 33 7.923 12.086 -0.443 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.616 9.420 -1.288 1.00 0.00 C ATOM 535 CE2 TYR A 33 7.166 11.195 0.333 1.00 0.00 C ATOM 536 CZ TYR A 33 7.003 9.857 -0.090 1.00 0.00 C ATOM 537 OH TYR A 33 6.247 8.994 0.645 1.00 0.00 O ATOM 0 H TYR A 33 9.604 14.944 -3.565 1.00 0.00 H new ATOM 0 HA TYR A 33 8.038 12.691 -4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.939 12.181 -3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.655 13.431 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.798 9.998 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.077 13.099 -0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.525 8.389 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.709 11.531 1.252 1.00 0.00 H new ATOM 0 HH TYR A 33 5.901 9.455 1.437 1.00 0.00 H new ATOM 547 N GLU A 34 6.729 14.698 -2.031 1.00 0.00 N ATOM 548 CA GLU A 34 5.482 15.016 -1.336 1.00 0.00 C ATOM 549 C GLU A 34 4.387 15.434 -2.325 1.00 0.00 C ATOM 550 O GLU A 34 3.219 15.094 -2.132 1.00 0.00 O ATOM 551 CB GLU A 34 5.699 16.112 -0.279 1.00 0.00 C ATOM 552 CG GLU A 34 6.491 15.613 0.937 1.00 0.00 C ATOM 553 CD GLU A 34 6.486 16.650 2.074 1.00 0.00 C ATOM 554 OE1 GLU A 34 7.226 17.657 2.003 1.00 0.00 O ATOM 555 OE2 GLU A 34 5.740 16.463 3.064 1.00 0.00 O ATOM 0 H GLU A 34 7.504 15.321 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 34 5.152 14.111 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.228 16.950 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.731 16.488 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.061 14.677 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.518 15.400 0.642 1.00 0.00 H new ATOM 562 N GLU A 35 4.755 16.127 -3.406 1.00 0.00 N ATOM 563 CA GLU A 35 3.839 16.552 -4.462 1.00 0.00 C ATOM 564 C GLU A 35 3.606 15.451 -5.514 1.00 0.00 C ATOM 565 O GLU A 35 2.908 15.691 -6.500 1.00 0.00 O ATOM 566 CB GLU A 35 4.335 17.867 -5.093 1.00 0.00 C ATOM 567 CG GLU A 35 4.216 19.040 -4.105 1.00 0.00 C ATOM 568 CD GLU A 35 4.421 20.405 -4.785 1.00 0.00 C ATOM 569 OE1 GLU A 35 3.523 20.859 -5.533 1.00 0.00 O ATOM 570 OE2 GLU A 35 5.459 21.059 -4.543 1.00 0.00 O ATOM 0 H GLU A 35 5.720 16.413 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 35 2.865 16.738 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.374 17.755 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.755 18.084 -5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.233 19.016 -3.634 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.953 18.919 -3.311 1.00 0.00 H new ATOM 577 N LYS A 36 4.145 14.240 -5.313 1.00 0.00 N ATOM 578 CA LYS A 36 3.997 13.083 -6.207 1.00 0.00 C ATOM 579 C LYS A 36 4.562 13.336 -7.614 1.00 0.00 C ATOM 580 O LYS A 36 4.153 12.680 -8.577 1.00 0.00 O ATOM 581 CB LYS A 36 2.524 12.625 -6.230 1.00 0.00 C ATOM 582 CG LYS A 36 2.373 11.139 -6.594 1.00 0.00 C ATOM 583 CD LYS A 36 1.021 10.787 -7.235 1.00 0.00 C ATOM 584 CE LYS A 36 0.737 11.512 -8.564 1.00 0.00 C ATOM 585 NZ LYS A 36 1.815 11.338 -9.575 1.00 0.00 N ATOM 0 H LYS A 36 4.716 14.032 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 36 4.602 12.269 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.077 12.803 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.971 13.229 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.173 10.861 -7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.503 10.540 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.984 9.711 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.225 11.024 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.201 11.143 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.602 12.576 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.511 11.748 -10.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.677 11.819 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.011 10.325 -9.702 1.00 0.00 H new ATOM 599 N LEU A 37 5.497 14.276 -7.770 1.00 0.00 N ATOM 600 CA LEU A 37 6.194 14.534 -9.025 1.00 0.00 C ATOM 601 C LEU A 37 7.421 13.641 -9.087 1.00 0.00 C ATOM 602 O LEU A 37 8.557 14.111 -9.040 1.00 0.00 O ATOM 603 CB LEU A 37 6.512 16.033 -9.226 1.00 0.00 C ATOM 604 CG LEU A 37 5.458 16.798 -10.044 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.277 16.199 -11.446 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.124 16.860 -9.305 1.00 0.00 C ATOM 0 H LEU A 37 5.794 14.889 -7.011 1.00 0.00 H new ATOM 0 HA LEU A 37 5.543 14.285 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.610 16.506 -8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.478 16.124 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 37 5.827 17.816 -10.168 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.524 16.769 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.224 16.241 -11.985 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.955 15.161 -11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.399 17.407 -9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.759 15.848 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.260 17.369 -8.351 1.00 0.00 H new ATOM 618 N TRP A 38 7.173 12.338 -9.196 1.00 0.00 N ATOM 619 CA TRP A 38 8.199 11.302 -9.294 1.00 0.00 C ATOM 620 C TRP A 38 9.320 11.656 -10.277 1.00 0.00 C ATOM 621 O TRP A 38 10.489 11.387 -10.000 1.00 0.00 O ATOM 622 CB TRP A 38 7.563 9.969 -9.710 1.00 0.00 C ATOM 623 CG TRP A 38 6.369 9.463 -8.950 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.356 8.773 -9.520 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.060 9.495 -7.517 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.472 8.346 -8.555 1.00 0.00 N ATOM 627 CE2 TRP A 38 4.890 8.704 -7.293 1.00 0.00 C ATOM 628 CE3 TRP A 38 6.641 10.091 -6.375 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.376 8.455 -6.013 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.107 9.887 -5.088 1.00 0.00 C ATOM 631 CH2 TRP A 38 4.988 9.057 -4.902 1.00 0.00 C ATOM 0 H TRP A 38 6.225 11.963 -9.219 1.00 0.00 H new ATOM 0 HA TRP A 38 8.649 11.219 -8.305 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.274 10.055 -10.758 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.337 9.204 -9.655 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.255 8.584 -10.579 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.615 7.829 -8.750 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.514 10.717 -6.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.521 7.809 -5.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.561 10.372 -4.237 1.00 0.00 H new ATOM 0 HH2 TRP A 38 4.601 8.883 -3.909 1.00 0.00 H new ATOM 642 N PHE A 39 8.986 12.270 -11.414 1.00 0.00 N ATOM 643 CA PHE A 39 9.968 12.582 -12.444 1.00 0.00 C ATOM 644 C PHE A 39 10.913 13.706 -12.001 1.00 0.00 C ATOM 645 O PHE A 39 12.117 13.610 -12.225 1.00 0.00 O ATOM 646 CB PHE A 39 9.246 12.922 -13.757 1.00 0.00 C ATOM 647 CG PHE A 39 8.144 11.943 -14.150 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.390 10.554 -14.189 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.852 12.425 -14.445 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.355 9.660 -14.517 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.819 11.529 -14.775 1.00 0.00 C ATOM 652 CZ PHE A 39 6.070 10.146 -14.811 1.00 0.00 C ATOM 0 H PHE A 39 8.035 12.561 -11.642 1.00 0.00 H new ATOM 0 HA PHE A 39 10.593 11.705 -12.611 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.814 13.919 -13.671 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.981 12.962 -14.561 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.377 10.176 -13.966 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.655 13.486 -14.417 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.548 8.598 -14.543 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.832 11.904 -15.001 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.276 9.459 -15.064 1.00 0.00 H new ATOM 662 N GLN A 40 10.413 14.754 -11.331 1.00 0.00 N ATOM 663 CA GLN A 40 11.266 15.841 -10.831 1.00 0.00 C ATOM 664 C GLN A 40 11.985 15.408 -9.549 1.00 0.00 C ATOM 665 O GLN A 40 13.111 15.821 -9.279 1.00 0.00 O ATOM 666 CB GLN A 40 10.446 17.116 -10.606 1.00 0.00 C ATOM 667 CG GLN A 40 9.735 17.570 -11.893 1.00 0.00 C ATOM 668 CD GLN A 40 9.037 18.920 -11.744 1.00 0.00 C ATOM 669 OE1 GLN A 40 9.180 19.813 -12.576 1.00 0.00 O ATOM 670 NE2 GLN A 40 8.253 19.094 -10.694 1.00 0.00 N ATOM 0 H GLN A 40 9.421 14.872 -11.123 1.00 0.00 H new ATOM 0 HA GLN A 40 12.022 16.064 -11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.707 16.940 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.101 17.912 -10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.463 17.631 -12.702 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.001 16.817 -12.181 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.142 18.345 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.759 19.977 -10.567 1.00 0.00 H new ATOM 679 N LEU A 41 11.359 14.535 -8.763 1.00 0.00 N ATOM 680 CA LEU A 41 12.005 13.859 -7.647 1.00 0.00 C ATOM 681 C LEU A 41 13.240 13.123 -8.190 1.00 0.00 C ATOM 682 O LEU A 41 14.339 13.267 -7.651 1.00 0.00 O ATOM 683 CB LEU A 41 10.961 12.935 -6.997 1.00 0.00 C ATOM 684 CG LEU A 41 11.499 11.672 -6.296 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.382 12.004 -5.099 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.321 10.806 -5.846 1.00 0.00 C ATOM 0 H LEU A 41 10.380 14.276 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 41 12.358 14.541 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.399 13.517 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.256 12.623 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 41 12.118 11.132 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.735 11.081 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.236 12.595 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.807 12.574 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.696 9.911 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.698 11.371 -5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.729 10.518 -6.714 1.00 0.00 H new ATOM 698 N SER A 42 13.078 12.409 -9.306 1.00 0.00 N ATOM 699 CA SER A 42 14.173 11.725 -9.973 1.00 0.00 C ATOM 700 C SER A 42 15.189 12.716 -10.536 1.00 0.00 C ATOM 701 O SER A 42 16.383 12.454 -10.413 1.00 0.00 O ATOM 702 CB SER A 42 13.651 10.803 -11.077 1.00 0.00 C ATOM 703 OG SER A 42 12.692 9.910 -10.554 1.00 0.00 O ATOM 0 H SER A 42 12.177 12.292 -9.770 1.00 0.00 H new ATOM 0 HA SER A 42 14.680 11.114 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.208 11.396 -11.877 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.478 10.244 -11.515 1.00 0.00 H new ATOM 0 HG SER A 42 11.838 10.377 -10.440 1.00 0.00 H new ATOM 709 N GLU A 43 14.784 13.859 -11.108 1.00 0.00 N ATOM 710 CA GLU A 43 15.761 14.836 -11.592 1.00 0.00 C ATOM 711 C GLU A 43 16.607 15.349 -10.425 1.00 0.00 C ATOM 712 O GLU A 43 17.820 15.474 -10.562 1.00 0.00 O ATOM 713 CB GLU A 43 15.139 15.960 -12.454 1.00 0.00 C ATOM 714 CG GLU A 43 14.772 17.288 -11.762 1.00 0.00 C ATOM 715 CD GLU A 43 14.436 18.421 -12.749 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.617 18.224 -13.674 1.00 0.00 O ATOM 717 OE2 GLU A 43 14.980 19.536 -12.577 1.00 0.00 O ATOM 0 H GLU A 43 13.808 14.123 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 43 16.429 14.326 -12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.836 16.186 -13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.235 15.564 -12.916 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.917 17.123 -11.106 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.603 17.601 -11.130 1.00 0.00 H new ATOM 724 N SER A 44 15.998 15.571 -9.259 1.00 0.00 N ATOM 725 CA SER A 44 16.703 16.035 -8.067 1.00 0.00 C ATOM 726 C SER A 44 17.736 14.991 -7.621 1.00 0.00 C ATOM 727 O SER A 44 18.894 15.313 -7.349 1.00 0.00 O ATOM 728 CB SER A 44 15.685 16.318 -6.954 1.00 0.00 C ATOM 729 OG SER A 44 14.629 17.148 -7.410 1.00 0.00 O ATOM 0 H SER A 44 14.998 15.433 -9.116 1.00 0.00 H new ATOM 0 HA SER A 44 17.239 16.957 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.276 15.377 -6.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.188 16.797 -6.114 1.00 0.00 H new ATOM 0 HG SER A 44 14.015 16.622 -7.964 1.00 0.00 H new ATOM 735 N LEU A 45 17.324 13.720 -7.613 1.00 0.00 N ATOM 736 CA LEU A 45 18.190 12.595 -7.278 1.00 0.00 C ATOM 737 C LEU A 45 19.305 12.421 -8.322 1.00 0.00 C ATOM 738 O LEU A 45 20.422 12.042 -7.979 1.00 0.00 O ATOM 739 CB LEU A 45 17.309 11.344 -7.148 1.00 0.00 C ATOM 740 CG LEU A 45 18.014 10.100 -6.580 1.00 0.00 C ATOM 741 CD1 LEU A 45 18.675 10.339 -5.213 1.00 0.00 C ATOM 742 CD2 LEU A 45 16.973 8.987 -6.432 1.00 0.00 C ATOM 0 H LEU A 45 16.369 13.444 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 45 18.698 12.775 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.459 11.583 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.909 11.097 -8.132 1.00 0.00 H new ATOM 0 HG LEU A 45 18.811 9.833 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.152 9.420 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.425 11.125 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.917 10.642 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.450 8.093 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.185 9.314 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.541 8.761 -7.407 1.00 0.00 H new ATOM 754 N THR A 46 19.037 12.748 -9.587 1.00 0.00 N ATOM 755 CA THR A 46 19.999 12.634 -10.677 1.00 0.00 C ATOM 756 C THR A 46 20.989 13.808 -10.672 1.00 0.00 C ATOM 757 O THR A 46 22.168 13.609 -10.966 1.00 0.00 O ATOM 758 CB THR A 46 19.251 12.489 -12.012 1.00 0.00 C ATOM 759 OG1 THR A 46 18.327 11.422 -11.911 1.00 0.00 O ATOM 760 CG2 THR A 46 20.188 12.170 -13.180 1.00 0.00 C ATOM 0 H THR A 46 18.129 13.105 -9.885 1.00 0.00 H new ATOM 0 HA THR A 46 20.601 11.736 -10.536 1.00 0.00 H new ATOM 0 HB THR A 46 18.761 13.443 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.561 11.703 -11.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.607 12.078 -14.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.918 12.972 -13.291 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.707 11.232 -12.984 1.00 0.00 H new ATOM 768 N LYS A 47 20.576 15.016 -10.265 1.00 0.00 N ATOM 769 CA LYS A 47 21.514 16.116 -10.026 1.00 0.00 C ATOM 770 C LYS A 47 22.527 15.670 -8.977 1.00 0.00 C ATOM 771 O LYS A 47 23.722 15.891 -9.154 1.00 0.00 O ATOM 772 CB LYS A 47 20.784 17.391 -9.569 1.00 0.00 C ATOM 773 CG LYS A 47 19.967 18.040 -10.696 1.00 0.00 C ATOM 774 CD LYS A 47 19.012 19.124 -10.168 1.00 0.00 C ATOM 775 CE LYS A 47 17.979 19.434 -11.258 1.00 0.00 C ATOM 776 NZ LYS A 47 16.974 20.445 -10.853 1.00 0.00 N ATOM 0 H LYS A 47 19.599 15.254 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 47 22.025 16.359 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.121 17.148 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.514 18.109 -9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.645 18.480 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.392 17.273 -11.215 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.514 18.781 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.568 20.024 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.498 19.787 -12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.465 18.513 -11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.077 20.260 -11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.822 20.391 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.316 21.395 -11.103 1.00 0.00 H new ATOM 790 N PHE A 48 22.069 14.993 -7.921 1.00 0.00 N ATOM 791 CA PHE A 48 22.954 14.453 -6.900 1.00 0.00 C ATOM 792 C PHE A 48 23.831 13.328 -7.474 1.00 0.00 C ATOM 793 O PHE A 48 25.025 13.287 -7.175 1.00 0.00 O ATOM 794 CB PHE A 48 22.113 14.041 -5.679 1.00 0.00 C ATOM 795 CG PHE A 48 22.830 13.245 -4.604 1.00 0.00 C ATOM 796 CD1 PHE A 48 24.190 13.460 -4.310 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.112 12.278 -3.879 1.00 0.00 C ATOM 798 CE1 PHE A 48 24.836 12.684 -3.336 1.00 0.00 C ATOM 799 CE2 PHE A 48 22.755 11.510 -2.896 1.00 0.00 C ATOM 800 CZ PHE A 48 24.124 11.698 -2.640 1.00 0.00 C ATOM 0 H PHE A 48 21.080 14.807 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 48 23.659 15.211 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.708 14.944 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 48 21.265 13.454 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 48 24.739 14.226 -4.837 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.062 12.126 -4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 48 25.882 12.847 -3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.197 10.774 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 48 24.627 11.083 -1.908 1.00 0.00 H new ATOM 810 N PHE A 49 23.296 12.446 -8.327 1.00 0.00 N ATOM 811 CA PHE A 49 24.093 11.421 -9.003 1.00 0.00 C ATOM 812 C PHE A 49 25.260 12.026 -9.796 1.00 0.00 C ATOM 813 O PHE A 49 26.365 11.482 -9.754 1.00 0.00 O ATOM 814 CB PHE A 49 23.191 10.550 -9.891 1.00 0.00 C ATOM 815 CG PHE A 49 23.918 9.521 -10.738 1.00 0.00 C ATOM 816 CD1 PHE A 49 24.226 8.249 -10.217 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.279 9.839 -12.063 1.00 0.00 C ATOM 818 CE1 PHE A 49 24.894 7.307 -11.020 1.00 0.00 C ATOM 819 CE2 PHE A 49 24.951 8.896 -12.860 1.00 0.00 C ATOM 820 CZ PHE A 49 25.259 7.628 -12.338 1.00 0.00 C ATOM 0 H PHE A 49 22.305 12.424 -8.565 1.00 0.00 H new ATOM 0 HA PHE A 49 24.541 10.785 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.473 10.032 -9.255 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.619 11.202 -10.551 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.950 7.998 -9.204 1.00 0.00 H new ATOM 0 HD2 PHE A 49 24.038 10.811 -12.467 1.00 0.00 H new ATOM 0 HE1 PHE A 49 25.128 6.331 -10.621 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.230 9.146 -13.873 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.775 6.902 -12.949 1.00 0.00 H new ATOM 830 N ASP A 50 25.045 13.149 -10.487 1.00 0.00 N ATOM 831 CA ASP A 50 26.104 13.827 -11.236 1.00 0.00 C ATOM 832 C ASP A 50 27.071 14.562 -10.299 1.00 0.00 C ATOM 833 O ASP A 50 28.285 14.525 -10.502 1.00 0.00 O ATOM 834 CB ASP A 50 25.487 14.825 -12.222 1.00 0.00 C ATOM 835 CG ASP A 50 26.583 15.604 -12.969 1.00 0.00 C ATOM 836 OD1 ASP A 50 27.250 15.018 -13.851 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.764 16.812 -12.702 1.00 0.00 O ATOM 0 H ASP A 50 24.137 13.611 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 50 26.667 13.069 -11.780 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.859 14.295 -12.938 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.841 15.521 -11.686 1.00 0.00 H new ATOM 842 N ASP A 51 26.537 15.223 -9.269 1.00 0.00 N ATOM 843 CA ASP A 51 27.287 16.063 -8.334 1.00 0.00 C ATOM 844 C ASP A 51 28.228 15.258 -7.423 1.00 0.00 C ATOM 845 O ASP A 51 29.352 15.696 -7.164 1.00 0.00 O ATOM 846 CB ASP A 51 26.293 16.862 -7.487 1.00 0.00 C ATOM 847 CG ASP A 51 27.014 17.537 -6.325 1.00 0.00 C ATOM 848 OD1 ASP A 51 27.543 18.658 -6.507 1.00 0.00 O ATOM 849 OD2 ASP A 51 27.085 16.902 -5.255 1.00 0.00 O ATOM 0 H ASP A 51 25.540 15.187 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 51 27.922 16.728 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.800 17.613 -8.104 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.514 16.201 -7.107 1.00 0.00 H new ATOM 854 N ALA A 52 27.789 14.074 -6.983 1.00 0.00 N ATOM 855 CA ALA A 52 28.567 13.083 -6.242 1.00 0.00 C ATOM 856 C ALA A 52 29.247 13.578 -4.942 1.00 0.00 C ATOM 857 O ALA A 52 30.238 12.973 -4.525 1.00 0.00 O ATOM 858 CB ALA A 52 29.544 12.399 -7.216 1.00 0.00 C ATOM 0 H ALA A 52 26.830 13.768 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 52 27.856 12.356 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.133 11.656 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.982 11.910 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.210 13.146 -7.648 1.00 0.00 H new ATOM 864 N LYS A 53 28.751 14.628 -4.259 1.00 0.00 N ATOM 865 CA LYS A 53 29.326 15.079 -2.971 1.00 0.00 C ATOM 866 C LYS A 53 29.422 13.956 -1.932 1.00 0.00 C ATOM 867 O LYS A 53 30.409 13.889 -1.198 1.00 0.00 O ATOM 868 CB LYS A 53 28.498 16.234 -2.355 1.00 0.00 C ATOM 869 CG LYS A 53 29.222 17.570 -2.137 1.00 0.00 C ATOM 870 CD LYS A 53 29.379 18.455 -3.383 1.00 0.00 C ATOM 871 CE LYS A 53 30.198 17.810 -4.510 1.00 0.00 C ATOM 872 NZ LYS A 53 30.206 18.647 -5.731 1.00 0.00 N ATOM 0 H LYS A 53 27.954 15.181 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 53 30.333 15.420 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.638 16.416 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.110 15.898 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.681 18.136 -1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 53 30.213 17.363 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.389 18.705 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.855 19.392 -3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.222 17.652 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.785 16.829 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.850 18.230 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.245 18.693 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 30.529 19.606 -5.492 1.00 0.00 H new ATOM 886 N SER A 54 28.407 13.090 -1.878 1.00 0.00 N ATOM 887 CA SER A 54 28.219 12.106 -0.817 1.00 0.00 C ATOM 888 C SER A 54 27.599 10.816 -1.371 1.00 0.00 C ATOM 889 O SER A 54 26.667 10.283 -0.780 1.00 0.00 O ATOM 890 CB SER A 54 27.327 12.739 0.270 1.00 0.00 C ATOM 891 OG SER A 54 27.865 13.950 0.789 1.00 0.00 O ATOM 0 H SER A 54 27.677 13.055 -2.590 1.00 0.00 H new ATOM 0 HA SER A 54 29.181 11.831 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 54 26.339 12.935 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 54 27.194 12.027 1.085 1.00 0.00 H new ATOM 0 HG SER A 54 28.014 13.855 1.753 1.00 0.00 H new ATOM 897 N THR A 55 28.054 10.329 -2.529 1.00 0.00 N ATOM 898 CA THR A 55 27.495 9.176 -3.245 1.00 0.00 C ATOM 899 C THR A 55 26.867 8.058 -2.372 1.00 0.00 C ATOM 900 O THR A 55 25.711 7.729 -2.640 1.00 0.00 O ATOM 901 CB THR A 55 28.564 8.704 -4.244 1.00 0.00 C ATOM 902 OG1 THR A 55 28.620 9.679 -5.275 1.00 0.00 O ATOM 903 CG2 THR A 55 28.324 7.325 -4.861 1.00 0.00 C ATOM 0 H THR A 55 28.852 10.742 -3.013 1.00 0.00 H new ATOM 0 HA THR A 55 26.601 9.499 -3.779 1.00 0.00 H new ATOM 0 HB THR A 55 29.498 8.598 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.294 9.417 -5.937 1.00 0.00 H new ATOM 0 HG21 THR A 55 29.135 7.089 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.288 6.574 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.378 7.328 -5.402 1.00 0.00 H new ATOM 911 N PRO A 56 27.516 7.515 -1.319 1.00 0.00 N ATOM 912 CA PRO A 56 26.931 6.518 -0.419 1.00 0.00 C ATOM 913 C PRO A 56 25.514 6.783 0.114 1.00 0.00 C ATOM 914 O PRO A 56 24.823 5.812 0.427 1.00 0.00 O ATOM 915 CB PRO A 56 27.914 6.392 0.745 1.00 0.00 C ATOM 916 CG PRO A 56 29.258 6.663 0.085 1.00 0.00 C ATOM 917 CD PRO A 56 28.925 7.691 -0.994 1.00 0.00 C ATOM 0 HA PRO A 56 26.789 5.608 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 56 27.699 7.112 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 56 27.879 5.401 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 56 29.984 7.051 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 56 29.685 5.756 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.116 8.703 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 56 29.547 7.541 -1.876 1.00 0.00 H new ATOM 925 N LEU A 57 25.039 8.035 0.211 1.00 0.00 N ATOM 926 CA LEU A 57 23.655 8.304 0.632 1.00 0.00 C ATOM 927 C LEU A 57 22.663 7.574 -0.281 1.00 0.00 C ATOM 928 O LEU A 57 21.611 7.119 0.172 1.00 0.00 O ATOM 929 CB LEU A 57 23.297 9.799 0.581 1.00 0.00 C ATOM 930 CG LEU A 57 24.184 10.799 1.340 1.00 0.00 C ATOM 931 CD1 LEU A 57 23.709 12.224 1.057 1.00 0.00 C ATOM 932 CD2 LEU A 57 24.242 10.566 2.840 1.00 0.00 C ATOM 0 H LEU A 57 25.587 8.870 0.006 1.00 0.00 H new ATOM 0 HA LEU A 57 23.587 7.952 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 57 23.283 10.099 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.280 9.908 0.958 1.00 0.00 H new ATOM 0 HG LEU A 57 25.198 10.646 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.339 12.931 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.773 12.423 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.676 12.335 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.888 11.314 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.239 10.646 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 57 24.640 9.571 3.039 1.00 0.00 H new ATOM 944 N ARG A 58 22.989 7.450 -1.575 1.00 0.00 N ATOM 945 CA ARG A 58 22.117 6.808 -2.553 1.00 0.00 C ATOM 946 C ARG A 58 21.921 5.320 -2.268 1.00 0.00 C ATOM 947 O ARG A 58 20.947 4.758 -2.763 1.00 0.00 O ATOM 948 CB ARG A 58 22.618 7.052 -3.985 1.00 0.00 C ATOM 949 CG ARG A 58 22.409 8.509 -4.413 1.00 0.00 C ATOM 950 CD ARG A 58 22.649 8.738 -5.910 1.00 0.00 C ATOM 951 NE ARG A 58 24.048 8.478 -6.301 1.00 0.00 N ATOM 952 CZ ARG A 58 25.063 9.349 -6.221 1.00 0.00 C ATOM 953 NH1 ARG A 58 24.900 10.531 -5.634 1.00 0.00 N ATOM 954 NH2 ARG A 58 26.238 9.050 -6.757 1.00 0.00 N ATOM 0 H ARG A 58 23.866 7.794 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 58 21.135 7.271 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 58 23.677 6.801 -4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.092 6.391 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 58 21.392 8.812 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 58 23.081 9.149 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.987 8.090 -6.485 1.00 0.00 H new ATOM 0 HD3 ARG A 58 22.388 9.765 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 58 24.262 7.550 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 58 23.994 10.783 -5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 58 25.681 11.185 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 58 26.370 8.156 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.010 9.714 -6.696 1.00 0.00 H new ATOM 968 N LEU A 59 22.757 4.684 -1.442 1.00 0.00 N ATOM 969 CA LEU A 59 22.554 3.294 -1.045 1.00 0.00 C ATOM 970 C LEU A 59 21.311 3.191 -0.153 1.00 0.00 C ATOM 971 O LEU A 59 20.434 2.370 -0.423 1.00 0.00 O ATOM 972 CB LEU A 59 23.827 2.755 -0.360 1.00 0.00 C ATOM 973 CG LEU A 59 24.250 1.368 -0.878 1.00 0.00 C ATOM 974 CD1 LEU A 59 25.674 1.060 -0.399 1.00 0.00 C ATOM 975 CD2 LEU A 59 23.289 0.259 -0.435 1.00 0.00 C ATOM 0 H LEU A 59 23.586 5.117 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 59 22.375 2.671 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.643 3.460 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.658 2.699 0.715 1.00 0.00 H new ATOM 0 HG LEU A 59 24.219 1.395 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 59 25.976 0.079 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.359 1.817 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 59 25.701 1.066 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 59 23.633 -0.698 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 59 23.260 0.216 0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 59 22.290 0.469 -0.817 1.00 0.00 H new ATOM 987 N ARG A 60 21.178 4.077 0.849 1.00 0.00 N ATOM 988 CA ARG A 60 19.955 4.160 1.665 1.00 0.00 C ATOM 989 C ARG A 60 18.760 4.493 0.778 1.00 0.00 C ATOM 990 O ARG A 60 17.677 3.933 0.940 1.00 0.00 O ATOM 991 CB ARG A 60 20.032 5.254 2.748 1.00 0.00 C ATOM 992 CG ARG A 60 21.185 5.162 3.756 1.00 0.00 C ATOM 993 CD ARG A 60 20.907 6.177 4.878 1.00 0.00 C ATOM 994 NE ARG A 60 22.072 6.435 5.736 1.00 0.00 N ATOM 995 CZ ARG A 60 22.520 5.704 6.759 1.00 0.00 C ATOM 996 NH1 ARG A 60 21.962 4.534 7.065 1.00 0.00 N ATOM 997 NH2 ARG A 60 23.536 6.166 7.478 1.00 0.00 N ATOM 0 H ARG A 60 21.902 4.745 1.113 1.00 0.00 H new ATOM 0 HA ARG A 60 19.847 3.189 2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.097 6.220 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.095 5.245 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 60 21.258 4.153 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.136 5.380 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 60 20.577 7.116 4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.086 5.810 5.494 1.00 0.00 H new ATOM 0 HE ARG A 60 22.605 7.278 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 60 21.179 4.183 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 60 22.318 3.989 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.959 7.064 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 60 23.893 5.623 8.264 1.00 0.00 H new ATOM 1011 N LEU A 61 18.970 5.437 -0.141 1.00 0.00 N ATOM 1012 CA LEU A 61 17.937 5.977 -1.011 1.00 0.00 C ATOM 1013 C LEU A 61 17.355 4.873 -1.897 1.00 0.00 C ATOM 1014 O LEU A 61 16.136 4.739 -1.994 1.00 0.00 O ATOM 1015 CB LEU A 61 18.553 7.147 -1.800 1.00 0.00 C ATOM 1016 CG LEU A 61 17.606 8.315 -2.099 1.00 0.00 C ATOM 1017 CD1 LEU A 61 16.559 7.902 -3.126 1.00 0.00 C ATOM 1018 CD2 LEU A 61 16.966 8.874 -0.821 1.00 0.00 C ATOM 0 H LEU A 61 19.887 5.854 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 61 17.092 6.362 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.407 7.529 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.937 6.763 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 61 18.196 9.125 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.895 8.743 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.054 7.602 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.978 7.066 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.302 9.700 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.394 8.089 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.747 9.231 -0.149 1.00 0.00 H new ATOM 1030 N TYR A 62 18.208 4.031 -2.481 1.00 0.00 N ATOM 1031 CA TYR A 62 17.780 2.838 -3.193 1.00 0.00 C ATOM 1032 C TYR A 62 17.027 1.892 -2.250 1.00 0.00 C ATOM 1033 O TYR A 62 15.923 1.458 -2.579 1.00 0.00 O ATOM 1034 CB TYR A 62 19.016 2.148 -3.807 1.00 0.00 C ATOM 1035 CG TYR A 62 18.839 0.658 -4.042 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.132 0.193 -5.166 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.315 -0.259 -3.083 1.00 0.00 C ATOM 1038 CE1 TYR A 62 17.882 -1.183 -5.319 1.00 0.00 C ATOM 1039 CE2 TYR A 62 19.073 -1.632 -3.231 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.345 -2.103 -4.347 1.00 0.00 C ATOM 1041 OH TYR A 62 18.106 -3.439 -4.468 1.00 0.00 O ATOM 0 H TYR A 62 19.219 4.163 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 62 17.095 3.114 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.254 2.629 -4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 62 19.870 2.302 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.781 0.892 -5.911 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.870 0.099 -2.228 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.336 -1.539 -6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.442 -2.329 -2.493 1.00 0.00 H new ATOM 0 HH TYR A 62 18.501 -3.912 -3.706 1.00 0.00 H new ATOM 1051 N ASP A 63 17.606 1.595 -1.082 1.00 0.00 N ATOM 1052 CA ASP A 63 17.117 0.535 -0.205 1.00 0.00 C ATOM 1053 C ASP A 63 15.738 0.775 0.390 1.00 0.00 C ATOM 1054 O ASP A 63 14.935 -0.158 0.455 1.00 0.00 O ATOM 1055 CB ASP A 63 18.065 0.358 0.987 1.00 0.00 C ATOM 1056 CG ASP A 63 17.666 -0.867 1.827 1.00 0.00 C ATOM 1057 OD1 ASP A 63 17.802 -2.012 1.340 1.00 0.00 O ATOM 1058 OD2 ASP A 63 17.253 -0.695 2.995 1.00 0.00 O ATOM 0 H ASP A 63 18.425 2.084 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 63 17.064 -0.340 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.088 0.241 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.045 1.253 1.609 1.00 0.00 H new ATOM 1063 N ASN A 64 15.440 2.013 0.800 1.00 0.00 N ATOM 1064 CA ASN A 64 14.258 2.288 1.614 1.00 0.00 C ATOM 1065 C ASN A 64 13.419 3.476 1.125 1.00 0.00 C ATOM 1066 O ASN A 64 12.468 3.858 1.807 1.00 0.00 O ATOM 1067 CB ASN A 64 14.735 2.444 3.077 1.00 0.00 C ATOM 1068 CG ASN A 64 13.727 1.911 4.095 1.00 0.00 C ATOM 1069 OD1 ASN A 64 13.997 0.962 4.826 1.00 0.00 O ATOM 1070 ND2 ASN A 64 12.554 2.498 4.153 1.00 0.00 N ATOM 0 H ASN A 64 16.001 2.836 0.581 1.00 0.00 H new ATOM 0 HA ASN A 64 13.564 1.452 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.682 1.919 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.926 3.498 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.850 2.167 4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.347 3.285 3.538 1.00 0.00 H new ATOM 1077 N PHE A 65 13.719 4.071 -0.033 1.00 0.00 N ATOM 1078 CA PHE A 65 12.941 5.197 -0.554 1.00 0.00 C ATOM 1079 C PHE A 65 12.487 4.865 -1.975 1.00 0.00 C ATOM 1080 O PHE A 65 11.303 4.605 -2.186 1.00 0.00 O ATOM 1081 CB PHE A 65 13.769 6.486 -0.438 1.00 0.00 C ATOM 1082 CG PHE A 65 13.016 7.790 -0.620 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.580 8.189 -1.898 1.00 0.00 C ATOM 1084 CD2 PHE A 65 12.810 8.646 0.478 1.00 0.00 C ATOM 1085 CE1 PHE A 65 11.918 9.419 -2.068 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.185 9.890 0.299 1.00 0.00 C ATOM 1087 CZ PHE A 65 11.725 10.273 -0.970 1.00 0.00 C ATOM 0 H PHE A 65 14.498 3.790 -0.629 1.00 0.00 H new ATOM 0 HA PHE A 65 12.036 5.369 0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.244 6.500 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.568 6.447 -1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.754 7.549 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.134 8.344 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.558 9.707 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.058 10.555 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.224 11.221 -1.102 1.00 0.00 H new ATOM 1097 N VAL A 66 13.415 4.781 -2.932 1.00 0.00 N ATOM 1098 CA VAL A 66 13.110 4.462 -4.328 1.00 0.00 C ATOM 1099 C VAL A 66 12.523 3.049 -4.450 1.00 0.00 C ATOM 1100 O VAL A 66 11.688 2.814 -5.324 1.00 0.00 O ATOM 1101 CB VAL A 66 14.376 4.724 -5.178 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.393 4.059 -6.558 1.00 0.00 C ATOM 1103 CG2 VAL A 66 14.537 6.235 -5.404 1.00 0.00 C ATOM 0 H VAL A 66 14.408 4.934 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 66 12.327 5.110 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 66 15.189 4.284 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.323 4.307 -7.070 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.319 2.978 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.549 4.419 -7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.429 6.420 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.662 6.620 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.635 6.738 -4.442 1.00 0.00 H new ATOM 1113 N SER A 67 12.859 2.133 -3.538 1.00 0.00 N ATOM 1114 CA SER A 67 12.265 0.806 -3.460 1.00 0.00 C ATOM 1115 C SER A 67 10.738 0.823 -3.372 1.00 0.00 C ATOM 1116 O SER A 67 10.087 -0.111 -3.848 1.00 0.00 O ATOM 1117 CB SER A 67 12.888 0.059 -2.278 1.00 0.00 C ATOM 1118 OG SER A 67 12.927 0.880 -1.123 1.00 0.00 O ATOM 0 H SER A 67 13.566 2.301 -2.822 1.00 0.00 H new ATOM 0 HA SER A 67 12.485 0.284 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.312 -0.843 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.898 -0.260 -2.536 1.00 0.00 H new ATOM 0 HG SER A 67 13.522 0.478 -0.456 1.00 0.00 H new ATOM 1124 N LYS A 68 10.144 1.877 -2.802 1.00 0.00 N ATOM 1125 CA LYS A 68 8.696 1.970 -2.655 1.00 0.00 C ATOM 1126 C LYS A 68 7.998 2.257 -3.990 1.00 0.00 C ATOM 1127 O LYS A 68 6.787 2.051 -4.074 1.00 0.00 O ATOM 1128 CB LYS A 68 8.336 3.021 -1.588 1.00 0.00 C ATOM 1129 CG LYS A 68 8.966 2.694 -0.219 1.00 0.00 C ATOM 1130 CD LYS A 68 8.441 3.624 0.884 1.00 0.00 C ATOM 1131 CE LYS A 68 9.149 3.407 2.233 1.00 0.00 C ATOM 1132 NZ LYS A 68 8.879 2.075 2.838 1.00 0.00 N ATOM 0 H LYS A 68 10.652 2.681 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 68 8.330 1.000 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.675 4.003 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.252 3.076 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.749 1.659 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.050 2.785 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.572 4.660 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.370 3.462 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.224 3.522 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.833 4.184 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.476 1.949 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.877 2.014 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.095 1.329 2.146 1.00 0.00 H new ATOM 1146 N PHE A 69 8.713 2.709 -5.031 1.00 0.00 N ATOM 1147 CA PHE A 69 8.103 3.183 -6.274 1.00 0.00 C ATOM 1148 C PHE A 69 8.942 2.858 -7.520 1.00 0.00 C ATOM 1149 O PHE A 69 8.771 3.529 -8.537 1.00 0.00 O ATOM 1150 CB PHE A 69 7.758 4.685 -6.147 1.00 0.00 C ATOM 1151 CG PHE A 69 8.900 5.619 -5.774 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.777 6.122 -6.756 1.00 0.00 C ATOM 1153 CD2 PHE A 69 9.060 6.026 -4.433 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.818 6.995 -6.397 1.00 0.00 C ATOM 1155 CE2 PHE A 69 10.096 6.902 -4.076 1.00 0.00 C ATOM 1156 CZ PHE A 69 10.983 7.377 -5.056 1.00 0.00 C ATOM 0 H PHE A 69 9.732 2.755 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 69 7.173 2.635 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.341 5.020 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.973 4.792 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.648 5.835 -7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 69 8.381 5.661 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.491 7.372 -7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.212 7.211 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.792 8.036 -4.778 1.00 0.00 H new ATOM 1166 N TYR A 70 9.810 1.834 -7.473 1.00 0.00 N ATOM 1167 CA TYR A 70 10.782 1.487 -8.520 1.00 0.00 C ATOM 1168 C TYR A 70 10.263 1.712 -9.948 1.00 0.00 C ATOM 1169 O TYR A 70 10.855 2.473 -10.712 1.00 0.00 O ATOM 1170 CB TYR A 70 11.189 0.003 -8.405 1.00 0.00 C ATOM 1171 CG TYR A 70 12.157 -0.432 -7.316 1.00 0.00 C ATOM 1172 CD1 TYR A 70 13.354 0.274 -7.081 1.00 0.00 C ATOM 1173 CD2 TYR A 70 11.925 -1.645 -6.636 1.00 0.00 C ATOM 1174 CE1 TYR A 70 14.303 -0.215 -6.163 1.00 0.00 C ATOM 1175 CE2 TYR A 70 12.869 -2.146 -5.725 1.00 0.00 C ATOM 1176 CZ TYR A 70 14.061 -1.430 -5.478 1.00 0.00 C ATOM 1177 OH TYR A 70 14.940 -1.902 -4.552 1.00 0.00 O ATOM 0 H TYR A 70 9.855 1.202 -6.674 1.00 0.00 H new ATOM 0 HA TYR A 70 11.628 2.154 -8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.274 -0.576 -8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.622 -0.291 -9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.545 1.197 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.013 -2.194 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.214 0.336 -5.982 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.683 -3.079 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 70 15.857 -1.738 -4.858 1.00 0.00 H new ATOM 1187 N ASP A 71 9.156 1.054 -10.313 1.00 0.00 N ATOM 1188 CA ASP A 71 8.673 1.000 -11.695 1.00 0.00 C ATOM 1189 C ASP A 71 7.927 2.263 -12.146 1.00 0.00 C ATOM 1190 O ASP A 71 7.595 2.375 -13.328 1.00 0.00 O ATOM 1191 CB ASP A 71 7.817 -0.258 -11.927 1.00 0.00 C ATOM 1192 CG ASP A 71 6.326 -0.042 -11.638 1.00 0.00 C ATOM 1193 OD1 ASP A 71 5.987 0.320 -10.489 1.00 0.00 O ATOM 1194 OD2 ASP A 71 5.496 -0.267 -12.549 1.00 0.00 O ATOM 0 H ASP A 71 8.569 0.543 -9.654 1.00 0.00 H new ATOM 0 HA ASP A 71 9.565 0.947 -12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.936 -0.584 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.189 -1.064 -11.294 1.00 0.00 H new ATOM 1199 N LYS A 72 7.676 3.233 -11.254 1.00 0.00 N ATOM 1200 CA LYS A 72 7.148 4.542 -11.659 1.00 0.00 C ATOM 1201 C LYS A 72 8.227 5.386 -12.340 1.00 0.00 C ATOM 1202 O LYS A 72 7.872 6.378 -12.980 1.00 0.00 O ATOM 1203 CB LYS A 72 6.528 5.302 -10.466 1.00 0.00 C ATOM 1204 CG LYS A 72 5.011 5.081 -10.321 1.00 0.00 C ATOM 1205 CD LYS A 72 4.562 3.633 -10.073 1.00 0.00 C ATOM 1206 CE LYS A 72 5.033 3.114 -8.708 1.00 0.00 C ATOM 1207 NZ LYS A 72 4.650 1.695 -8.510 1.00 0.00 N ATOM 0 H LYS A 72 7.830 3.135 -10.250 1.00 0.00 H new ATOM 0 HA LYS A 72 6.353 4.359 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.023 4.987 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.723 6.368 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.651 5.698 -9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.523 5.442 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.475 3.576 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.955 2.991 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.116 3.215 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.600 3.724 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.997 1.368 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.614 1.607 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.070 1.114 -9.263 1.00 0.00 H new ATOM 1221 N ILE A 73 9.509 5.024 -12.231 1.00 0.00 N ATOM 1222 CA ILE A 73 10.615 5.803 -12.776 1.00 0.00 C ATOM 1223 C ILE A 73 11.568 4.894 -13.558 1.00 0.00 C ATOM 1224 O ILE A 73 11.409 3.670 -13.581 1.00 0.00 O ATOM 1225 CB ILE A 73 11.307 6.635 -11.668 1.00 0.00 C ATOM 1226 CG1 ILE A 73 11.967 5.779 -10.564 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.283 7.620 -11.074 1.00 0.00 C ATOM 1228 CD1 ILE A 73 12.989 6.573 -9.736 1.00 0.00 C ATOM 0 H ILE A 73 9.807 4.172 -11.756 1.00 0.00 H new ATOM 0 HA ILE A 73 10.232 6.532 -13.490 1.00 0.00 H new ATOM 0 HB ILE A 73 12.131 7.178 -12.131 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.195 5.387 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.462 4.922 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.759 8.212 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.918 8.282 -11.859 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.447 7.064 -10.650 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.423 5.925 -8.975 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.778 6.943 -10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.492 7.415 -9.255 1.00 0.00 H new ATOM 1240 N ASN A 74 12.519 5.518 -14.257 1.00 0.00 N ATOM 1241 CA ASN A 74 13.404 4.823 -15.183 1.00 0.00 C ATOM 1242 C ASN A 74 14.234 3.762 -14.454 1.00 0.00 C ATOM 1243 O ASN A 74 14.927 4.071 -13.484 1.00 0.00 O ATOM 1244 CB ASN A 74 14.317 5.822 -15.902 1.00 0.00 C ATOM 1245 CG ASN A 74 15.381 5.115 -16.736 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.092 4.183 -17.477 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.636 5.506 -16.607 1.00 0.00 N ATOM 0 H ASN A 74 12.694 6.521 -14.194 1.00 0.00 H new ATOM 0 HA ASN A 74 12.789 4.317 -15.928 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.717 6.465 -16.546 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.799 6.468 -15.168 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.374 5.031 -17.127 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.867 6.283 -15.988 1.00 0.00 H new ATOM 1254 N GLN A 75 14.200 2.524 -14.954 1.00 0.00 N ATOM 1255 CA GLN A 75 14.859 1.382 -14.326 1.00 0.00 C ATOM 1256 C GLN A 75 16.366 1.615 -14.211 1.00 0.00 C ATOM 1257 O GLN A 75 16.944 1.414 -13.146 1.00 0.00 O ATOM 1258 CB GLN A 75 14.588 0.106 -15.145 1.00 0.00 C ATOM 1259 CG GLN A 75 13.097 -0.255 -15.224 1.00 0.00 C ATOM 1260 CD GLN A 75 12.854 -1.428 -16.175 1.00 0.00 C ATOM 1261 OE1 GLN A 75 13.142 -2.582 -15.870 1.00 0.00 O ATOM 1262 NE2 GLN A 75 12.306 -1.169 -17.350 1.00 0.00 N ATOM 0 H GLN A 75 13.708 2.287 -15.816 1.00 0.00 H new ATOM 0 HA GLN A 75 14.453 1.262 -13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.977 0.240 -16.154 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.134 -0.726 -14.701 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.730 -0.509 -14.230 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.529 0.612 -15.561 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.068 -0.210 -17.601 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.122 -1.929 -18.005 1.00 0.00 H new ATOM 1271 N LEU A 76 17.012 2.099 -15.275 1.00 0.00 N ATOM 1272 CA LEU A 76 18.453 2.337 -15.228 1.00 0.00 C ATOM 1273 C LEU A 76 18.786 3.487 -14.281 1.00 0.00 C ATOM 1274 O LEU A 76 19.905 3.509 -13.793 1.00 0.00 O ATOM 1275 CB LEU A 76 19.046 2.555 -16.632 1.00 0.00 C ATOM 1276 CG LEU A 76 18.998 1.308 -17.542 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.663 1.622 -18.887 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.691 0.085 -16.922 1.00 0.00 C ATOM 0 H LEU A 76 16.568 2.330 -16.164 1.00 0.00 H new ATOM 0 HA LEU A 76 18.923 1.438 -14.830 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.507 3.367 -17.119 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.083 2.877 -16.530 1.00 0.00 H new ATOM 0 HG LEU A 76 17.945 1.059 -17.675 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.627 0.739 -19.526 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.134 2.443 -19.372 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.702 1.908 -18.721 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.624 -0.759 -17.609 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.739 0.317 -16.734 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.202 -0.172 -15.982 1.00 0.00 H new ATOM 1290 N SER A 77 17.868 4.402 -13.956 1.00 0.00 N ATOM 1291 CA SER A 77 18.113 5.396 -12.919 1.00 0.00 C ATOM 1292 C SER A 77 18.205 4.726 -11.551 1.00 0.00 C ATOM 1293 O SER A 77 19.216 4.907 -10.874 1.00 0.00 O ATOM 1294 CB SER A 77 17.069 6.511 -12.968 1.00 0.00 C ATOM 1295 OG SER A 77 17.080 7.108 -14.258 1.00 0.00 O ATOM 0 H SER A 77 16.951 4.471 -14.398 1.00 0.00 H new ATOM 0 HA SER A 77 19.076 5.873 -13.105 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.080 6.109 -12.749 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.284 7.260 -12.206 1.00 0.00 H new ATOM 0 HG SER A 77 16.410 7.823 -14.293 1.00 0.00 H new ATOM 1301 N VAL A 78 17.227 3.895 -11.162 1.00 0.00 N ATOM 1302 CA VAL A 78 17.266 3.264 -9.838 1.00 0.00 C ATOM 1303 C VAL A 78 18.513 2.382 -9.708 1.00 0.00 C ATOM 1304 O VAL A 78 19.202 2.398 -8.683 1.00 0.00 O ATOM 1305 CB VAL A 78 15.947 2.548 -9.463 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.727 3.390 -9.861 1.00 0.00 C ATOM 1307 CG2 VAL A 78 15.744 1.132 -10.009 1.00 0.00 C ATOM 0 H VAL A 78 16.417 3.649 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 78 17.351 4.053 -9.091 1.00 0.00 H new ATOM 0 HB VAL A 78 16.041 2.439 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.814 2.861 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.762 4.348 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.737 3.559 -10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.782 0.747 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 78 15.764 1.156 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 78 16.542 0.484 -9.646 1.00 0.00 H new ATOM 1317 N VAL A 79 18.839 1.665 -10.784 1.00 0.00 N ATOM 1318 CA VAL A 79 19.996 0.795 -10.829 1.00 0.00 C ATOM 1319 C VAL A 79 21.270 1.653 -10.792 1.00 0.00 C ATOM 1320 O VAL A 79 22.184 1.298 -10.056 1.00 0.00 O ATOM 1321 CB VAL A 79 19.888 -0.130 -12.058 1.00 0.00 C ATOM 1322 CG1 VAL A 79 21.015 -1.168 -12.104 1.00 0.00 C ATOM 1323 CG2 VAL A 79 18.571 -0.937 -12.101 1.00 0.00 C ATOM 0 H VAL A 79 18.299 1.677 -11.649 1.00 0.00 H new ATOM 0 HA VAL A 79 20.043 0.139 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 79 19.942 0.556 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.896 -1.796 -12.987 1.00 0.00 H new ATOM 0 HG12 VAL A 79 21.977 -0.658 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 79 20.974 -1.789 -11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 79 18.559 -1.567 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.499 -1.563 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 79 17.725 -0.251 -12.131 1.00 0.00 H new ATOM 1333 N LYS A 80 21.348 2.795 -11.492 1.00 0.00 N ATOM 1334 CA LYS A 80 22.511 3.690 -11.443 1.00 0.00 C ATOM 1335 C LYS A 80 22.762 4.222 -10.039 1.00 0.00 C ATOM 1336 O LYS A 80 23.922 4.305 -9.637 1.00 0.00 O ATOM 1337 CB LYS A 80 22.383 4.861 -12.434 1.00 0.00 C ATOM 1338 CG LYS A 80 22.923 4.486 -13.826 1.00 0.00 C ATOM 1339 CD LYS A 80 22.833 5.639 -14.838 1.00 0.00 C ATOM 1340 CE LYS A 80 21.381 6.049 -15.134 1.00 0.00 C ATOM 1341 NZ LYS A 80 21.299 7.121 -16.159 1.00 0.00 N ATOM 0 H LYS A 80 20.605 3.123 -12.108 1.00 0.00 H new ATOM 0 HA LYS A 80 23.368 3.086 -11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.337 5.156 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 80 22.929 5.724 -12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.963 4.172 -13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.365 3.631 -14.208 1.00 0.00 H new ATOM 0 HD2 LYS A 80 23.379 6.500 -14.453 1.00 0.00 H new ATOM 0 HD3 LYS A 80 23.320 5.342 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.822 5.178 -15.476 1.00 0.00 H new ATOM 0 HE3 LYS A 80 20.907 6.391 -14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.302 7.365 -16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.810 7.962 -15.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.727 6.787 -17.046 1.00 0.00 H new ATOM 1355 N TYR A 81 21.718 4.574 -9.286 1.00 0.00 N ATOM 1356 CA TYR A 81 21.895 5.082 -7.931 1.00 0.00 C ATOM 1357 C TYR A 81 22.575 4.017 -7.059 1.00 0.00 C ATOM 1358 O TYR A 81 23.558 4.312 -6.366 1.00 0.00 O ATOM 1359 CB TYR A 81 20.540 5.532 -7.354 1.00 0.00 C ATOM 1360 CG TYR A 81 19.733 6.515 -8.199 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.352 7.554 -8.931 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.333 6.376 -8.254 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.581 8.431 -9.718 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.561 7.223 -9.068 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.178 8.270 -9.787 1.00 0.00 C ATOM 1366 OH TYR A 81 17.407 9.119 -10.521 1.00 0.00 O ATOM 0 H TYR A 81 20.747 4.516 -9.593 1.00 0.00 H new ATOM 0 HA TYR A 81 22.546 5.956 -7.946 1.00 0.00 H new ATOM 0 HB2 TYR A 81 19.929 4.645 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.718 5.986 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.424 7.676 -8.886 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.848 5.612 -7.665 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.061 9.226 -10.269 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.494 7.073 -9.144 1.00 0.00 H new ATOM 0 HH TYR A 81 17.970 9.823 -10.906 1.00 0.00 H new ATOM 1376 N LEU A 82 22.106 2.764 -7.143 1.00 0.00 N ATOM 1377 CA LEU A 82 22.747 1.657 -6.439 1.00 0.00 C ATOM 1378 C LEU A 82 24.160 1.423 -6.973 1.00 0.00 C ATOM 1379 O LEU A 82 25.083 1.291 -6.171 1.00 0.00 O ATOM 1380 CB LEU A 82 21.906 0.376 -6.543 1.00 0.00 C ATOM 1381 CG LEU A 82 22.564 -0.839 -5.849 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.833 -0.613 -4.353 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.664 -2.062 -6.024 1.00 0.00 C ATOM 0 H LEU A 82 21.288 2.498 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 82 22.820 1.925 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 82 20.927 0.554 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 82 21.741 0.141 -7.595 1.00 0.00 H new ATOM 0 HG LEU A 82 23.534 -0.992 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.295 -1.504 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.503 0.238 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.892 -0.413 -3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.122 -2.923 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.691 -1.865 -5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.537 -2.271 -7.086 1.00 0.00 H new ATOM 1395 N LEU A 83 24.329 1.387 -8.302 1.00 0.00 N ATOM 1396 CA LEU A 83 25.609 1.144 -8.964 1.00 0.00 C ATOM 1397 C LEU A 83 26.651 2.094 -8.403 1.00 0.00 C ATOM 1398 O LEU A 83 27.643 1.622 -7.868 1.00 0.00 O ATOM 1399 CB LEU A 83 25.518 1.321 -10.499 1.00 0.00 C ATOM 1400 CG LEU A 83 24.972 0.110 -11.281 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.466 0.502 -12.680 1.00 0.00 C ATOM 1402 CD2 LEU A 83 26.060 -0.963 -11.428 1.00 0.00 C ATOM 0 H LEU A 83 23.560 1.530 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 83 25.892 0.109 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.884 2.182 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.512 1.557 -10.879 1.00 0.00 H new ATOM 0 HG LEU A 83 24.130 -0.282 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.091 -0.384 -13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.663 1.233 -12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.285 0.935 -13.255 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.661 -1.812 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.911 -0.546 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.381 -1.293 -10.440 1.00 0.00 H new ATOM 1414 N ALA A 84 26.432 3.411 -8.462 1.00 0.00 N ATOM 1415 CA ALA A 84 27.449 4.356 -8.018 1.00 0.00 C ATOM 1416 C ALA A 84 27.781 4.165 -6.539 1.00 0.00 C ATOM 1417 O ALA A 84 28.957 4.210 -6.172 1.00 0.00 O ATOM 1418 CB ALA A 84 27.000 5.795 -8.282 1.00 0.00 C ATOM 0 H ALA A 84 25.572 3.838 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 84 28.355 4.161 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 84 27.773 6.485 -7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 84 26.832 5.934 -9.350 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.075 5.993 -7.741 1.00 0.00 H new ATOM 1424 N SER A 85 26.770 3.922 -5.699 1.00 0.00 N ATOM 1425 CA SER A 85 26.990 3.725 -4.272 1.00 0.00 C ATOM 1426 C SER A 85 27.882 2.502 -4.032 1.00 0.00 C ATOM 1427 O SER A 85 28.890 2.575 -3.328 1.00 0.00 O ATOM 1428 CB SER A 85 25.647 3.562 -3.553 1.00 0.00 C ATOM 1429 OG SER A 85 24.746 4.595 -3.894 1.00 0.00 O ATOM 0 H SER A 85 25.794 3.858 -5.987 1.00 0.00 H new ATOM 0 HA SER A 85 27.498 4.601 -3.869 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.210 2.597 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 85 25.809 3.560 -2.475 1.00 0.00 H new ATOM 0 HG SER A 85 24.311 4.382 -4.746 1.00 0.00 H new ATOM 1435 N LEU A 86 27.524 1.373 -4.645 1.00 0.00 N ATOM 1436 CA LEU A 86 28.135 0.083 -4.361 1.00 0.00 C ATOM 1437 C LEU A 86 29.456 -0.102 -5.115 1.00 0.00 C ATOM 1438 O LEU A 86 30.329 -0.827 -4.645 1.00 0.00 O ATOM 1439 CB LEU A 86 27.099 -0.999 -4.685 1.00 0.00 C ATOM 1440 CG LEU A 86 27.438 -2.401 -4.151 1.00 0.00 C ATOM 1441 CD1 LEU A 86 27.795 -2.432 -2.659 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.205 -3.282 -4.359 1.00 0.00 C ATOM 0 H LEU A 86 26.795 1.333 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 86 28.409 0.013 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.136 -0.693 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 86 26.982 -1.057 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 86 28.317 -2.750 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 86 28.021 -3.456 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 86 28.666 -1.801 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.952 -2.061 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 86 26.410 -4.287 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.361 -2.861 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.965 -3.327 -5.421 1.00 0.00 H new ATOM 1454 N LYS A 87 29.635 0.584 -6.249 1.00 0.00 N ATOM 1455 CA LYS A 87 30.910 0.645 -6.960 1.00 0.00 C ATOM 1456 C LYS A 87 31.906 1.493 -6.175 1.00 0.00 C ATOM 1457 O LYS A 87 33.099 1.193 -6.214 1.00 0.00 O ATOM 1458 CB LYS A 87 30.720 1.213 -8.379 1.00 0.00 C ATOM 1459 CG LYS A 87 29.919 0.281 -9.311 1.00 0.00 C ATOM 1460 CD LYS A 87 30.793 -0.747 -10.045 1.00 0.00 C ATOM 1461 CE LYS A 87 29.906 -1.838 -10.668 1.00 0.00 C ATOM 1462 NZ LYS A 87 30.634 -2.671 -11.653 1.00 0.00 N ATOM 0 H LYS A 87 28.891 1.116 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 87 31.303 -0.367 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 87 30.209 2.174 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 87 31.699 1.402 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 29.166 -0.246 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 87 29.387 0.885 -10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 87 31.376 -0.253 -10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 87 31.503 -1.196 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 87 29.513 -2.477 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 87 29.050 -1.371 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 30.177 -3.602 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 30.617 -2.204 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 31.620 -2.792 -11.344 1.00 0.00 H new ATOM 1476 N ASP A 88 31.456 2.543 -5.476 1.00 0.00 N ATOM 1477 CA ASP A 88 32.336 3.345 -4.625 1.00 0.00 C ATOM 1478 C ASP A 88 32.806 2.559 -3.399 1.00 0.00 C ATOM 1479 O ASP A 88 33.937 2.768 -2.955 1.00 0.00 O ATOM 1480 CB ASP A 88 31.649 4.643 -4.186 1.00 0.00 C ATOM 1481 CG ASP A 88 32.578 5.472 -3.283 1.00 0.00 C ATOM 1482 OD1 ASP A 88 33.558 6.056 -3.797 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.323 5.560 -2.062 1.00 0.00 O ATOM 0 H ASP A 88 30.485 2.855 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 88 33.212 3.598 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.370 5.227 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.728 4.410 -3.652 1.00 0.00 H new ATOM 1488 N SER A 89 31.981 1.647 -2.869 1.00 0.00 N ATOM 1489 CA SER A 89 32.404 0.696 -1.840 1.00 0.00 C ATOM 1490 C SER A 89 33.564 -0.187 -2.341 1.00 0.00 C ATOM 1491 O SER A 89 33.652 -0.517 -3.527 1.00 0.00 O ATOM 1492 CB SER A 89 31.222 -0.172 -1.393 1.00 0.00 C ATOM 1493 OG SER A 89 30.107 0.630 -1.037 1.00 0.00 O ATOM 0 H SER A 89 31.003 1.550 -3.143 1.00 0.00 H new ATOM 0 HA SER A 89 32.762 1.266 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.942 -0.853 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 89 31.519 -0.786 -0.543 1.00 0.00 H new ATOM 0 HG SER A 89 29.365 0.054 -0.757 1.00 0.00 H new ATOM 1499 N LYS A 90 34.461 -0.587 -1.431 1.00 0.00 N ATOM 1500 CA LYS A 90 35.714 -1.279 -1.751 1.00 0.00 C ATOM 1501 C LYS A 90 35.458 -2.789 -1.815 1.00 0.00 C ATOM 1502 O LYS A 90 36.073 -3.568 -1.085 1.00 0.00 O ATOM 1503 CB LYS A 90 36.814 -0.867 -0.742 1.00 0.00 C ATOM 1504 CG LYS A 90 37.457 0.511 -1.006 1.00 0.00 C ATOM 1505 CD LYS A 90 36.466 1.674 -1.141 1.00 0.00 C ATOM 1506 CE LYS A 90 37.148 3.024 -1.381 1.00 0.00 C ATOM 1507 NZ LYS A 90 36.137 4.089 -1.599 1.00 0.00 N ATOM 0 H LYS A 90 34.332 -0.435 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 90 36.083 -0.986 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.385 -0.865 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.597 -1.625 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 90 38.148 0.735 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.049 0.450 -1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.784 1.467 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 90 35.862 1.735 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 90 37.774 3.279 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.805 2.956 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 36.553 4.851 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 35.316 3.691 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 35.833 4.472 -0.681 1.00 0.00 H new ATOM 1521 N ASP A 91 34.511 -3.205 -2.654 1.00 0.00 N ATOM 1522 CA ASP A 91 34.162 -4.606 -2.890 1.00 0.00 C ATOM 1523 C ASP A 91 33.675 -4.760 -4.340 1.00 0.00 C ATOM 1524 O ASP A 91 33.492 -3.761 -5.040 1.00 0.00 O ATOM 1525 CB ASP A 91 33.103 -5.067 -1.871 1.00 0.00 C ATOM 1526 CG ASP A 91 33.139 -6.591 -1.678 1.00 0.00 C ATOM 1527 OD1 ASP A 91 32.586 -7.314 -2.535 1.00 0.00 O ATOM 1528 OD2 ASP A 91 33.764 -7.063 -0.701 1.00 0.00 O ATOM 0 H ASP A 91 33.948 -2.557 -3.205 1.00 0.00 H new ATOM 0 HA ASP A 91 35.036 -5.243 -2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 91 33.276 -4.573 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 91 32.112 -4.765 -2.211 1.00 0.00 H new ATOM 1533 N PHE A 92 33.472 -6.001 -4.791 1.00 0.00 N ATOM 1534 CA PHE A 92 32.990 -6.357 -6.126 1.00 0.00 C ATOM 1535 C PHE A 92 32.087 -7.598 -6.080 1.00 0.00 C ATOM 1536 O PHE A 92 31.244 -7.762 -6.961 1.00 0.00 O ATOM 1537 CB PHE A 92 34.173 -6.638 -7.070 1.00 0.00 C ATOM 1538 CG PHE A 92 35.035 -5.434 -7.405 1.00 0.00 C ATOM 1539 CD1 PHE A 92 34.643 -4.552 -8.433 1.00 0.00 C ATOM 1540 CD2 PHE A 92 36.231 -5.194 -6.699 1.00 0.00 C ATOM 1541 CE1 PHE A 92 35.441 -3.437 -8.749 1.00 0.00 C ATOM 1542 CE2 PHE A 92 37.025 -4.078 -7.015 1.00 0.00 C ATOM 1543 CZ PHE A 92 36.632 -3.199 -8.039 1.00 0.00 C ATOM 0 H PHE A 92 33.647 -6.820 -4.209 1.00 0.00 H new ATOM 0 HA PHE A 92 32.413 -5.511 -6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 92 34.805 -7.402 -6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 92 33.784 -7.056 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 92 33.729 -4.733 -8.979 1.00 0.00 H new ATOM 0 HD2 PHE A 92 36.538 -5.869 -5.914 1.00 0.00 H new ATOM 0 HE1 PHE A 92 35.139 -2.763 -9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 92 37.939 -3.895 -6.470 1.00 0.00 H new ATOM 0 HZ PHE A 92 37.243 -2.342 -8.280 1.00 0.00 H new ATOM 1553 N ASP A 93 32.223 -8.466 -5.074 1.00 0.00 N ATOM 1554 CA ASP A 93 31.358 -9.630 -4.902 1.00 0.00 C ATOM 1555 C ASP A 93 29.994 -9.183 -4.381 1.00 0.00 C ATOM 1556 O ASP A 93 28.964 -9.676 -4.842 1.00 0.00 O ATOM 1557 CB ASP A 93 31.996 -10.617 -3.920 1.00 0.00 C ATOM 1558 CG ASP A 93 31.054 -11.795 -3.629 1.00 0.00 C ATOM 1559 OD1 ASP A 93 30.849 -12.643 -4.526 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.564 -11.904 -2.484 1.00 0.00 O ATOM 0 H ASP A 93 32.940 -8.378 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 93 31.229 -10.126 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.933 -10.990 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 93 32.239 -10.103 -2.990 1.00 0.00 H new ATOM 1565 N GLU A 94 29.970 -8.191 -3.487 1.00 0.00 N ATOM 1566 CA GLU A 94 28.725 -7.555 -3.070 1.00 0.00 C ATOM 1567 C GLU A 94 28.055 -6.893 -4.277 1.00 0.00 C ATOM 1568 O GLU A 94 26.853 -7.058 -4.468 1.00 0.00 O ATOM 1569 CB GLU A 94 28.973 -6.532 -1.951 1.00 0.00 C ATOM 1570 CG GLU A 94 29.382 -7.208 -0.634 1.00 0.00 C ATOM 1571 CD GLU A 94 29.464 -6.194 0.521 1.00 0.00 C ATOM 1572 OE1 GLU A 94 30.513 -5.531 0.687 1.00 0.00 O ATOM 1573 OE2 GLU A 94 28.487 -6.068 1.294 1.00 0.00 O ATOM 0 H GLU A 94 30.804 -7.812 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 94 28.059 -8.320 -2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.755 -5.838 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 94 28.070 -5.943 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 94 28.661 -7.987 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 94 30.348 -7.696 -0.760 1.00 0.00 H new ATOM 1580 N SER A 95 28.825 -6.205 -5.125 1.00 0.00 N ATOM 1581 CA SER A 95 28.322 -5.595 -6.350 1.00 0.00 C ATOM 1582 C SER A 95 27.703 -6.651 -7.273 1.00 0.00 C ATOM 1583 O SER A 95 26.588 -6.459 -7.758 1.00 0.00 O ATOM 1584 CB SER A 95 29.451 -4.826 -7.048 1.00 0.00 C ATOM 1585 OG SER A 95 30.212 -4.101 -6.095 1.00 0.00 O ATOM 0 H SER A 95 29.823 -6.057 -4.975 1.00 0.00 H new ATOM 0 HA SER A 95 27.532 -4.888 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 95 30.096 -5.521 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.033 -4.142 -7.786 1.00 0.00 H new ATOM 0 HG SER A 95 30.931 -3.615 -6.551 1.00 0.00 H new ATOM 1591 N LEU A 96 28.389 -7.782 -7.478 1.00 0.00 N ATOM 1592 CA LEU A 96 27.911 -8.892 -8.277 1.00 0.00 C ATOM 1593 C LEU A 96 26.562 -9.382 -7.752 1.00 0.00 C ATOM 1594 O LEU A 96 25.597 -9.458 -8.513 1.00 0.00 O ATOM 1595 CB LEU A 96 29.002 -9.972 -8.292 1.00 0.00 C ATOM 1596 CG LEU A 96 28.732 -11.193 -9.180 1.00 0.00 C ATOM 1597 CD1 LEU A 96 27.835 -12.235 -8.504 1.00 0.00 C ATOM 1598 CD2 LEU A 96 28.185 -10.814 -10.555 1.00 0.00 C ATOM 0 H LEU A 96 29.313 -7.944 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 96 27.727 -8.591 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.935 -9.512 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 96 29.156 -10.319 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 96 29.707 -11.656 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 96 27.680 -13.075 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 96 28.313 -12.588 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 96 26.873 -11.784 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 96 28.013 -11.718 -11.140 1.00 0.00 H new ATOM 0 HD22 LEU A 96 27.246 -10.274 -10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.906 -10.180 -11.071 1.00 0.00 H new ATOM 1610 N LYS A 97 26.473 -9.669 -6.449 1.00 0.00 N ATOM 1611 CA LYS A 97 25.247 -10.179 -5.845 1.00 0.00 C ATOM 1612 C LYS A 97 24.118 -9.162 -5.977 1.00 0.00 C ATOM 1613 O LYS A 97 23.054 -9.502 -6.493 1.00 0.00 O ATOM 1614 CB LYS A 97 25.506 -10.536 -4.378 1.00 0.00 C ATOM 1615 CG LYS A 97 26.338 -11.823 -4.270 1.00 0.00 C ATOM 1616 CD LYS A 97 26.803 -12.018 -2.826 1.00 0.00 C ATOM 1617 CE LYS A 97 27.624 -13.302 -2.638 1.00 0.00 C ATOM 1618 NZ LYS A 97 26.815 -14.540 -2.776 1.00 0.00 N ATOM 0 H LYS A 97 27.244 -9.554 -5.792 1.00 0.00 H new ATOM 0 HA LYS A 97 24.937 -11.082 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.030 -9.716 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.557 -10.666 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.744 -12.679 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 97 27.200 -11.767 -4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.403 -11.160 -2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.934 -12.048 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 28.431 -13.320 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.088 -13.287 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.425 -15.371 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 26.060 -14.543 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.392 -14.574 -3.726 1.00 0.00 H new ATOM 1632 N TYR A 98 24.335 -7.924 -5.530 1.00 0.00 N ATOM 1633 CA TYR A 98 23.282 -6.921 -5.472 1.00 0.00 C ATOM 1634 C TYR A 98 22.755 -6.563 -6.852 1.00 0.00 C ATOM 1635 O TYR A 98 21.545 -6.390 -6.989 1.00 0.00 O ATOM 1636 CB TYR A 98 23.757 -5.664 -4.737 1.00 0.00 C ATOM 1637 CG TYR A 98 23.493 -5.666 -3.242 1.00 0.00 C ATOM 1638 CD1 TYR A 98 22.185 -5.434 -2.773 1.00 0.00 C ATOM 1639 CD2 TYR A 98 24.537 -5.871 -2.319 1.00 0.00 C ATOM 1640 CE1 TYR A 98 21.916 -5.413 -1.392 1.00 0.00 C ATOM 1641 CE2 TYR A 98 24.277 -5.853 -0.937 1.00 0.00 C ATOM 1642 CZ TYR A 98 22.964 -5.626 -0.466 1.00 0.00 C ATOM 1643 OH TYR A 98 22.724 -5.610 0.876 1.00 0.00 O ATOM 0 H TYR A 98 25.242 -7.594 -5.201 1.00 0.00 H new ATOM 0 HA TYR A 98 22.458 -7.361 -4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.828 -5.545 -4.903 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.268 -4.795 -5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 98 21.383 -5.271 -3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 98 25.542 -6.043 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 98 20.911 -5.235 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 98 25.082 -6.013 -0.235 1.00 0.00 H new ATOM 0 HH TYR A 98 23.560 -5.776 1.360 1.00 0.00 H new ATOM 1653 N LEU A 99 23.606 -6.431 -7.875 1.00 0.00 N ATOM 1654 CA LEU A 99 23.139 -5.877 -9.140 1.00 0.00 C ATOM 1655 C LEU A 99 22.575 -6.986 -10.015 1.00 0.00 C ATOM 1656 O LEU A 99 21.672 -6.712 -10.801 1.00 0.00 O ATOM 1657 CB LEU A 99 24.224 -5.033 -9.834 1.00 0.00 C ATOM 1658 CG LEU A 99 24.358 -3.591 -9.308 1.00 0.00 C ATOM 1659 CD1 LEU A 99 23.142 -2.732 -9.668 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.603 -3.511 -7.799 1.00 0.00 C ATOM 0 H LEU A 99 24.592 -6.693 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 99 22.325 -5.179 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 99 25.184 -5.537 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 99 24.008 -4.996 -10.902 1.00 0.00 H new ATOM 0 HG LEU A 99 25.241 -3.195 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.280 -1.724 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.035 -2.689 -10.752 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.245 -3.171 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.687 -2.467 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.770 -3.975 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.526 -4.035 -7.552 1.00 0.00 H new ATOM 1672 N ASP A 100 23.019 -8.235 -9.841 1.00 0.00 N ATOM 1673 CA ASP A 100 22.357 -9.360 -10.491 1.00 0.00 C ATOM 1674 C ASP A 100 20.999 -9.611 -9.836 1.00 0.00 C ATOM 1675 O ASP A 100 20.024 -9.869 -10.534 1.00 0.00 O ATOM 1676 CB ASP A 100 23.203 -10.632 -10.450 1.00 0.00 C ATOM 1677 CG ASP A 100 22.491 -11.744 -11.235 1.00 0.00 C ATOM 1678 OD1 ASP A 100 22.238 -11.554 -12.448 1.00 0.00 O ATOM 1679 OD2 ASP A 100 22.210 -12.815 -10.651 1.00 0.00 O ATOM 0 H ASP A 100 23.822 -8.486 -9.264 1.00 0.00 H new ATOM 0 HA ASP A 100 22.218 -9.098 -11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.187 -10.442 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 100 23.360 -10.944 -9.418 1.00 0.00 H new ATOM 1684 N ASP A 101 20.889 -9.466 -8.511 1.00 0.00 N ATOM 1685 CA ASP A 101 19.599 -9.547 -7.827 1.00 0.00 C ATOM 1686 C ASP A 101 18.667 -8.427 -8.296 1.00 0.00 C ATOM 1687 O ASP A 101 17.508 -8.687 -8.617 1.00 0.00 O ATOM 1688 CB ASP A 101 19.773 -9.488 -6.307 1.00 0.00 C ATOM 1689 CG ASP A 101 18.404 -9.520 -5.608 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.789 -10.609 -5.531 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.954 -8.471 -5.099 1.00 0.00 O ATOM 0 H ASP A 101 21.681 -9.292 -7.892 1.00 0.00 H new ATOM 0 HA ASP A 101 19.149 -10.507 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.379 -10.329 -5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.308 -8.579 -6.031 1.00 0.00 H new ATOM 1696 N LEU A 102 19.167 -7.192 -8.406 1.00 0.00 N ATOM 1697 CA LEU A 102 18.354 -6.070 -8.858 1.00 0.00 C ATOM 1698 C LEU A 102 17.927 -6.256 -10.317 1.00 0.00 C ATOM 1699 O LEU A 102 16.750 -6.056 -10.631 1.00 0.00 O ATOM 1700 CB LEU A 102 19.090 -4.736 -8.634 1.00 0.00 C ATOM 1701 CG LEU A 102 18.240 -3.507 -9.026 1.00 0.00 C ATOM 1702 CD1 LEU A 102 16.864 -3.466 -8.344 1.00 0.00 C ATOM 1703 CD2 LEU A 102 19.005 -2.227 -8.672 1.00 0.00 C ATOM 0 H LEU A 102 20.133 -6.949 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 102 17.443 -6.040 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.374 -4.655 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 102 20.012 -4.734 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 102 18.062 -3.584 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.324 -2.576 -8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.295 -4.355 -8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.995 -3.438 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 102 18.407 -1.358 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 102 19.203 -2.206 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 102 19.949 -2.205 -9.216 1.00 0.00 H new ATOM 1715 N LYS A 103 18.828 -6.688 -11.215 1.00 0.00 N ATOM 1716 CA LYS A 103 18.431 -6.963 -12.597 1.00 0.00 C ATOM 1717 C LYS A 103 17.383 -8.081 -12.611 1.00 0.00 C ATOM 1718 O LYS A 103 16.473 -8.032 -13.431 1.00 0.00 O ATOM 1719 CB LYS A 103 19.637 -7.233 -13.532 1.00 0.00 C ATOM 1720 CG LYS A 103 20.070 -8.694 -13.763 1.00 0.00 C ATOM 1721 CD LYS A 103 19.418 -9.360 -14.987 1.00 0.00 C ATOM 1722 CE LYS A 103 19.511 -10.897 -14.956 1.00 0.00 C ATOM 1723 NZ LYS A 103 20.893 -11.432 -14.856 1.00 0.00 N ATOM 0 H LYS A 103 19.814 -6.850 -11.011 1.00 0.00 H new ATOM 0 HA LYS A 103 17.973 -6.066 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.408 -6.796 -14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.495 -6.691 -13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.153 -8.726 -13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.828 -9.277 -12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.370 -9.066 -15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.898 -8.991 -15.893 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.931 -11.266 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.046 -11.294 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.879 -12.460 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.493 -10.981 -15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.276 -11.230 -13.911 1.00 0.00 H new ATOM 1737 N ALA A 104 17.484 -9.069 -11.712 1.00 0.00 N ATOM 1738 CA ALA A 104 16.558 -10.192 -11.646 1.00 0.00 C ATOM 1739 C ALA A 104 15.172 -9.759 -11.158 1.00 0.00 C ATOM 1740 O ALA A 104 14.180 -10.279 -11.662 1.00 0.00 O ATOM 1741 CB ALA A 104 17.116 -11.317 -10.768 1.00 0.00 C ATOM 0 H ALA A 104 18.220 -9.105 -11.007 1.00 0.00 H new ATOM 0 HA ALA A 104 16.444 -10.575 -12.660 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.404 -12.142 -10.737 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.060 -11.668 -11.184 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.281 -10.942 -9.758 1.00 0.00 H new ATOM 1747 N GLN A 105 15.067 -8.800 -10.232 1.00 0.00 N ATOM 1748 CA GLN A 105 13.767 -8.249 -9.840 1.00 0.00 C ATOM 1749 C GLN A 105 13.073 -7.647 -11.067 1.00 0.00 C ATOM 1750 O GLN A 105 11.896 -7.914 -11.315 1.00 0.00 O ATOM 1751 CB GLN A 105 13.922 -7.201 -8.721 1.00 0.00 C ATOM 1752 CG GLN A 105 14.324 -7.799 -7.363 1.00 0.00 C ATOM 1753 CD GLN A 105 13.229 -8.684 -6.766 1.00 0.00 C ATOM 1754 OE1 GLN A 105 13.262 -9.908 -6.871 1.00 0.00 O ATOM 1755 NE2 GLN A 105 12.222 -8.095 -6.137 1.00 0.00 N ATOM 0 H GLN A 105 15.863 -8.391 -9.742 1.00 0.00 H new ATOM 0 HA GLN A 105 13.148 -9.055 -9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.672 -6.470 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.981 -6.663 -8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 105 15.235 -8.385 -7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.554 -6.992 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 105 12.198 -7.079 -6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.471 -8.658 -5.738 1.00 0.00 H new ATOM 1764 N PHE A 106 13.812 -6.893 -11.884 1.00 0.00 N ATOM 1765 CA PHE A 106 13.282 -6.370 -13.136 1.00 0.00 C ATOM 1766 C PHE A 106 13.032 -7.480 -14.164 1.00 0.00 C ATOM 1767 O PHE A 106 12.057 -7.395 -14.901 1.00 0.00 O ATOM 1768 CB PHE A 106 14.161 -5.219 -13.630 1.00 0.00 C ATOM 1769 CG PHE A 106 13.995 -3.940 -12.824 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.743 -3.294 -12.783 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.081 -3.395 -12.112 1.00 0.00 C ATOM 1772 CE1 PHE A 106 12.571 -2.124 -12.023 1.00 0.00 C ATOM 1773 CE2 PHE A 106 14.914 -2.214 -11.367 1.00 0.00 C ATOM 1774 CZ PHE A 106 13.658 -1.581 -11.322 1.00 0.00 C ATOM 0 H PHE A 106 14.780 -6.633 -11.697 1.00 0.00 H new ATOM 0 HA PHE A 106 12.292 -5.948 -12.965 1.00 0.00 H new ATOM 0 HB2 PHE A 106 15.205 -5.529 -13.594 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.925 -5.014 -14.674 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.911 -3.700 -13.339 1.00 0.00 H new ATOM 0 HD2 PHE A 106 16.043 -3.885 -12.138 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.604 -1.644 -11.979 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.750 -1.793 -10.829 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.531 -0.676 -10.747 1.00 0.00 H new ATOM 1784 N GLN A 107 13.828 -8.550 -14.172 1.00 0.00 N ATOM 1785 CA GLN A 107 13.583 -9.728 -15.006 1.00 0.00 C ATOM 1786 C GLN A 107 12.245 -10.410 -14.670 1.00 0.00 C ATOM 1787 O GLN A 107 11.630 -10.995 -15.560 1.00 0.00 O ATOM 1788 CB GLN A 107 14.768 -10.703 -14.892 1.00 0.00 C ATOM 1789 CG GLN A 107 14.853 -11.703 -16.055 1.00 0.00 C ATOM 1790 CD GLN A 107 16.159 -12.505 -16.038 1.00 0.00 C ATOM 1791 OE1 GLN A 107 16.760 -12.751 -14.994 1.00 0.00 O ATOM 1792 NE2 GLN A 107 16.650 -12.916 -17.197 1.00 0.00 N ATOM 0 H GLN A 107 14.667 -8.624 -13.596 1.00 0.00 H new ATOM 0 HA GLN A 107 13.501 -9.401 -16.043 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.695 -10.132 -14.846 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.686 -11.254 -13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 107 14.007 -12.389 -16.004 1.00 0.00 H new ATOM 0 HG3 GLN A 107 14.771 -11.166 -17.000 1.00 0.00 H new ATOM 0 HE21 GLN A 107 16.151 -12.712 -18.063 1.00 0.00 H new ATOM 0 HE22 GLN A 107 17.527 -13.437 -17.224 1.00 0.00 H new ATOM 1801 N GLU A 108 11.761 -10.325 -13.427 1.00 0.00 N ATOM 1802 CA GLU A 108 10.436 -10.828 -13.067 1.00 0.00 C ATOM 1803 C GLU A 108 9.372 -9.832 -13.531 1.00 0.00 C ATOM 1804 O GLU A 108 8.391 -10.224 -14.164 1.00 0.00 O ATOM 1805 CB GLU A 108 10.330 -11.054 -11.548 1.00 0.00 C ATOM 1806 CG GLU A 108 11.228 -12.185 -11.021 1.00 0.00 C ATOM 1807 CD GLU A 108 10.798 -13.570 -11.539 1.00 0.00 C ATOM 1808 OE1 GLU A 108 9.830 -14.152 -10.996 1.00 0.00 O ATOM 1809 OE2 GLU A 108 11.432 -14.106 -12.474 1.00 0.00 O ATOM 0 H GLU A 108 12.273 -9.909 -12.649 1.00 0.00 H new ATOM 0 HA GLU A 108 10.276 -11.786 -13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.589 -10.128 -11.034 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.294 -11.279 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.259 -11.994 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.205 -12.185 -9.931 1.00 0.00 H new ATOM 1816 N LEU A 109 9.577 -8.534 -13.265 1.00 0.00 N ATOM 1817 CA LEU A 109 8.650 -7.480 -13.685 1.00 0.00 C ATOM 1818 C LEU A 109 8.508 -7.432 -15.208 1.00 0.00 C ATOM 1819 O LEU A 109 7.464 -7.020 -15.716 1.00 0.00 O ATOM 1820 CB LEU A 109 9.089 -6.107 -13.144 1.00 0.00 C ATOM 1821 CG LEU A 109 8.926 -5.945 -11.620 1.00 0.00 C ATOM 1822 CD1 LEU A 109 9.596 -4.645 -11.162 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.451 -5.924 -11.193 1.00 0.00 C ATOM 0 H LEU A 109 10.389 -8.189 -12.754 1.00 0.00 H new ATOM 0 HA LEU A 109 7.674 -7.721 -13.263 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.135 -5.944 -13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.510 -5.330 -13.644 1.00 0.00 H new ATOM 0 HG LEU A 109 9.401 -6.807 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.478 -4.535 -10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.657 -4.676 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.130 -3.798 -11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.387 -5.808 -10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.944 -5.090 -11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.974 -6.859 -11.487 1.00 0.00 H new ATOM 1835 N ASP A 110 9.528 -7.873 -15.945 1.00 0.00 N ATOM 1836 CA ASP A 110 9.483 -8.004 -17.392 1.00 0.00 C ATOM 1837 C ASP A 110 8.301 -8.874 -17.793 1.00 0.00 C ATOM 1838 O ASP A 110 7.410 -8.400 -18.499 1.00 0.00 O ATOM 1839 CB ASP A 110 10.796 -8.561 -17.950 1.00 0.00 C ATOM 1840 CG ASP A 110 10.738 -8.667 -19.479 1.00 0.00 C ATOM 1841 OD1 ASP A 110 10.273 -9.691 -20.021 1.00 0.00 O ATOM 1842 OD2 ASP A 110 11.214 -7.741 -20.167 1.00 0.00 O ATOM 0 H ASP A 110 10.422 -8.153 -15.541 1.00 0.00 H new ATOM 0 HA ASP A 110 9.352 -7.012 -17.823 1.00 0.00 H new ATOM 0 HB2 ASP A 110 11.624 -7.915 -17.657 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.991 -9.544 -17.520 1.00 0.00 H new ATOM 2059 N GLY A 125 17.307 -2.450 -21.272 1.00 0.00 N ATOM 2060 CA GLY A 125 17.204 -2.210 -19.835 1.00 0.00 C ATOM 2061 C GLY A 125 18.088 -3.166 -19.047 1.00 0.00 C ATOM 2062 O GLY A 125 19.302 -2.971 -18.987 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.491 -1.182 -19.615 1.00 0.00 H new ATOM 0 HA3 GLY A 125 16.167 -2.326 -19.519 1.00 0.00 H new ATOM 2066 N ILE A 126 17.497 -4.219 -18.477 1.00 0.00 N ATOM 2067 CA ILE A 126 18.238 -5.246 -17.749 1.00 0.00 C ATOM 2068 C ILE A 126 19.359 -5.890 -18.572 1.00 0.00 C ATOM 2069 O ILE A 126 20.319 -6.365 -17.974 1.00 0.00 O ATOM 2070 CB ILE A 126 17.304 -6.280 -17.095 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.512 -7.147 -18.095 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.347 -5.578 -16.121 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.616 -8.168 -17.378 1.00 0.00 C ATOM 0 H ILE A 126 16.491 -4.382 -18.509 1.00 0.00 H new ATOM 0 HA ILE A 126 18.747 -4.728 -16.936 1.00 0.00 H new ATOM 0 HB ILE A 126 17.952 -6.973 -16.558 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.898 -6.505 -18.727 1.00 0.00 H new ATOM 0 HG13 ILE A 126 17.206 -7.671 -18.752 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.689 -6.316 -15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 126 16.923 -5.073 -15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 126 15.749 -4.846 -16.663 1.00 0.00 H new ATOM 0 HD11 ILE A 126 15.075 -8.759 -18.117 1.00 0.00 H new ATOM 0 HD12 ILE A 126 16.232 -8.827 -16.767 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.904 -7.643 -16.741 1.00 0.00 H new ATOM 2085 N LEU A 127 19.303 -5.856 -19.908 1.00 0.00 N ATOM 2086 CA LEU A 127 20.416 -6.262 -20.772 1.00 0.00 C ATOM 2087 C LEU A 127 21.696 -5.477 -20.444 1.00 0.00 C ATOM 2088 O LEU A 127 22.776 -6.063 -20.350 1.00 0.00 O ATOM 2089 CB LEU A 127 19.969 -6.082 -22.237 1.00 0.00 C ATOM 2090 CG LEU A 127 20.948 -6.476 -23.364 1.00 0.00 C ATOM 2091 CD1 LEU A 127 22.001 -5.402 -23.661 1.00 0.00 C ATOM 2092 CD2 LEU A 127 21.610 -7.840 -23.135 1.00 0.00 C ATOM 0 H LEU A 127 18.479 -5.544 -20.423 1.00 0.00 H new ATOM 0 HA LEU A 127 20.666 -7.309 -20.601 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.055 -6.658 -22.377 1.00 0.00 H new ATOM 0 HB3 LEU A 127 19.709 -5.033 -22.377 1.00 0.00 H new ATOM 0 HG LEU A 127 20.321 -6.562 -24.251 1.00 0.00 H new ATOM 0 HD11 LEU A 127 22.655 -5.745 -24.463 1.00 0.00 H new ATOM 0 HD12 LEU A 127 21.505 -4.481 -23.967 1.00 0.00 H new ATOM 0 HD13 LEU A 127 22.593 -5.215 -22.765 1.00 0.00 H new ATOM 0 HD21 LEU A 127 22.286 -8.059 -23.961 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.172 -7.819 -22.201 1.00 0.00 H new ATOM 0 HD23 LEU A 127 20.843 -8.612 -23.079 1.00 0.00 H new ATOM 2104 N LEU A 128 21.583 -4.160 -20.231 1.00 0.00 N ATOM 2105 CA LEU A 128 22.726 -3.329 -19.855 1.00 0.00 C ATOM 2106 C LEU A 128 23.221 -3.740 -18.474 1.00 0.00 C ATOM 2107 O LEU A 128 24.422 -3.928 -18.293 1.00 0.00 O ATOM 2108 CB LEU A 128 22.361 -1.832 -19.911 1.00 0.00 C ATOM 2109 CG LEU A 128 23.492 -0.820 -19.596 1.00 0.00 C ATOM 2110 CD1 LEU A 128 23.771 -0.628 -18.097 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.808 -1.133 -20.322 1.00 0.00 C ATOM 0 H LEU A 128 20.705 -3.648 -20.314 1.00 0.00 H new ATOM 0 HA LEU A 128 23.534 -3.484 -20.570 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.979 -1.614 -20.908 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.544 -1.656 -19.211 1.00 0.00 H new ATOM 0 HG LEU A 128 23.095 0.120 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 128 24.576 0.096 -17.966 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.871 -0.263 -17.603 1.00 0.00 H new ATOM 0 HD13 LEU A 128 24.065 -1.581 -17.657 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.556 -0.386 -20.057 1.00 0.00 H new ATOM 0 HD22 LEU A 128 25.161 -2.121 -20.026 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.643 -1.114 -21.399 1.00 0.00 H new ATOM 2123 N ILE A 129 22.314 -3.923 -17.510 1.00 0.00 N ATOM 2124 CA ILE A 129 22.694 -4.289 -16.145 1.00 0.00 C ATOM 2125 C ILE A 129 23.412 -5.643 -16.166 1.00 0.00 C ATOM 2126 O ILE A 129 24.421 -5.811 -15.490 1.00 0.00 O ATOM 2127 CB ILE A 129 21.480 -4.344 -15.188 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.468 -3.195 -15.397 1.00 0.00 C ATOM 2129 CG2 ILE A 129 22.001 -4.357 -13.734 1.00 0.00 C ATOM 2130 CD1 ILE A 129 19.189 -3.401 -14.576 1.00 0.00 C ATOM 0 H ILE A 129 21.309 -3.823 -17.652 1.00 0.00 H new ATOM 0 HA ILE A 129 23.361 -3.515 -15.766 1.00 0.00 H new ATOM 0 HB ILE A 129 20.927 -5.257 -15.410 1.00 0.00 H new ATOM 0 HG12 ILE A 129 20.931 -2.249 -15.117 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.213 -3.124 -16.454 1.00 0.00 H new ATOM 0 HG21 ILE A 129 21.157 -4.396 -13.045 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.634 -5.231 -13.582 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.581 -3.453 -13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.505 -2.571 -14.753 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.711 -4.334 -14.875 1.00 0.00 H new ATOM 0 HD13 ILE A 129 19.440 -3.445 -13.516 1.00 0.00 H new ATOM 2142 N ASP A 130 22.925 -6.600 -16.956 1.00 0.00 N ATOM 2143 CA ASP A 130 23.515 -7.927 -17.079 1.00 0.00 C ATOM 2144 C ASP A 130 24.912 -7.846 -17.696 1.00 0.00 C ATOM 2145 O ASP A 130 25.823 -8.547 -17.261 1.00 0.00 O ATOM 2146 CB ASP A 130 22.613 -8.822 -17.930 1.00 0.00 C ATOM 2147 CG ASP A 130 23.086 -10.276 -17.855 1.00 0.00 C ATOM 2148 OD1 ASP A 130 22.766 -10.935 -16.840 1.00 0.00 O ATOM 2149 OD2 ASP A 130 23.725 -10.769 -18.811 1.00 0.00 O ATOM 0 H ASP A 130 22.096 -6.470 -17.536 1.00 0.00 H new ATOM 0 HA ASP A 130 23.607 -8.358 -16.082 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.583 -8.749 -17.581 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.624 -8.482 -18.965 1.00 0.00 H new ATOM 2154 N SER A 131 25.098 -6.945 -18.665 1.00 0.00 N ATOM 2155 CA SER A 131 26.398 -6.681 -19.269 1.00 0.00 C ATOM 2156 C SER A 131 27.349 -6.024 -18.258 1.00 0.00 C ATOM 2157 O SER A 131 28.525 -6.381 -18.196 1.00 0.00 O ATOM 2158 CB SER A 131 26.216 -5.796 -20.512 1.00 0.00 C ATOM 2159 OG SER A 131 25.282 -6.363 -21.418 1.00 0.00 O ATOM 0 H SER A 131 24.344 -6.377 -19.051 1.00 0.00 H new ATOM 0 HA SER A 131 26.847 -7.627 -19.572 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.876 -4.806 -20.209 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.176 -5.665 -21.011 1.00 0.00 H new ATOM 0 HG SER A 131 24.375 -6.255 -21.063 1.00 0.00 H new ATOM 2165 N GLU A 132 26.854 -5.106 -17.424 1.00 0.00 N ATOM 2166 CA GLU A 132 27.656 -4.495 -16.371 1.00 0.00 C ATOM 2167 C GLU A 132 28.018 -5.547 -15.315 1.00 0.00 C ATOM 2168 O GLU A 132 29.139 -5.562 -14.807 1.00 0.00 O ATOM 2169 CB GLU A 132 26.913 -3.290 -15.769 1.00 0.00 C ATOM 2170 CG GLU A 132 27.708 -2.554 -14.674 1.00 0.00 C ATOM 2171 CD GLU A 132 29.106 -2.066 -15.104 1.00 0.00 C ATOM 2172 OE1 GLU A 132 29.336 -1.820 -16.310 1.00 0.00 O ATOM 2173 OE2 GLU A 132 29.975 -1.906 -14.215 1.00 0.00 O ATOM 0 H GLU A 132 25.892 -4.770 -17.462 1.00 0.00 H new ATOM 0 HA GLU A 132 28.589 -4.118 -16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 132 26.674 -2.587 -16.567 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.966 -3.631 -15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 132 27.127 -1.695 -14.338 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.819 -3.218 -13.817 1.00 0.00 H new ATOM 2180 N ILE A 133 27.101 -6.464 -15.009 1.00 0.00 N ATOM 2181 CA ILE A 133 27.361 -7.598 -14.138 1.00 0.00 C ATOM 2182 C ILE A 133 28.429 -8.508 -14.749 1.00 0.00 C ATOM 2183 O ILE A 133 29.312 -8.947 -14.012 1.00 0.00 O ATOM 2184 CB ILE A 133 26.027 -8.302 -13.774 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.353 -7.622 -12.563 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.150 -9.807 -13.487 1.00 0.00 C ATOM 2187 CD1 ILE A 133 26.248 -7.487 -11.323 1.00 0.00 C ATOM 0 H ILE A 133 26.146 -6.435 -15.366 1.00 0.00 H new ATOM 0 HA ILE A 133 27.784 -7.265 -13.190 1.00 0.00 H new ATOM 0 HB ILE A 133 25.415 -8.199 -14.670 1.00 0.00 H new ATOM 0 HG12 ILE A 133 25.017 -6.629 -12.862 1.00 0.00 H new ATOM 0 HG13 ILE A 133 24.464 -8.191 -12.292 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.168 -10.212 -13.242 1.00 0.00 H new ATOM 0 HG22 ILE A 133 26.543 -10.315 -14.368 1.00 0.00 H new ATOM 0 HG23 ILE A 133 26.827 -9.963 -12.647 1.00 0.00 H new ATOM 0 HD11 ILE A 133 25.691 -6.998 -10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.564 -8.477 -10.993 1.00 0.00 H new ATOM 0 HD13 ILE A 133 27.126 -6.890 -11.571 1.00 0.00 H new ATOM 2199 N ALA A 134 28.428 -8.743 -16.066 1.00 0.00 N ATOM 2200 CA ALA A 134 29.497 -9.495 -16.711 1.00 0.00 C ATOM 2201 C ALA A 134 30.847 -8.801 -16.492 1.00 0.00 C ATOM 2202 O ALA A 134 31.806 -9.465 -16.108 1.00 0.00 O ATOM 2203 CB ALA A 134 29.198 -9.706 -18.199 1.00 0.00 C ATOM 0 H ALA A 134 27.697 -8.421 -16.701 1.00 0.00 H new ATOM 0 HA ALA A 134 29.554 -10.482 -16.253 1.00 0.00 H new ATOM 0 HB1 ALA A 134 30.011 -10.270 -18.657 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.266 -10.260 -18.308 1.00 0.00 H new ATOM 0 HB3 ALA A 134 29.104 -8.738 -18.692 1.00 0.00 H new ATOM 2209 N ARG A 135 30.928 -7.472 -16.654 1.00 0.00 N ATOM 2210 CA ARG A 135 32.158 -6.725 -16.351 1.00 0.00 C ATOM 2211 C ARG A 135 32.545 -6.886 -14.880 1.00 0.00 C ATOM 2212 O ARG A 135 33.714 -7.112 -14.573 1.00 0.00 O ATOM 2213 CB ARG A 135 32.017 -5.230 -16.690 1.00 0.00 C ATOM 2214 CG ARG A 135 31.749 -4.960 -18.176 1.00 0.00 C ATOM 2215 CD ARG A 135 31.632 -3.453 -18.429 1.00 0.00 C ATOM 2216 NE ARG A 135 31.035 -3.183 -19.750 1.00 0.00 N ATOM 2217 CZ ARG A 135 29.830 -2.648 -19.999 1.00 0.00 C ATOM 2218 NH1 ARG A 135 29.045 -2.190 -19.026 1.00 0.00 N ATOM 2219 NH2 ARG A 135 29.405 -2.576 -21.257 1.00 0.00 N ATOM 0 H ARG A 135 30.159 -6.894 -16.992 1.00 0.00 H new ATOM 0 HA ARG A 135 32.947 -7.143 -16.977 1.00 0.00 H new ATOM 0 HB2 ARG A 135 31.204 -4.807 -16.100 1.00 0.00 H new ATOM 0 HB3 ARG A 135 32.929 -4.711 -16.394 1.00 0.00 H new ATOM 0 HG2 ARG A 135 32.556 -5.376 -18.780 1.00 0.00 H new ATOM 0 HG3 ARG A 135 30.831 -5.460 -18.484 1.00 0.00 H new ATOM 0 HD2 ARG A 135 31.021 -2.996 -17.650 1.00 0.00 H new ATOM 0 HD3 ARG A 135 32.619 -2.993 -18.371 1.00 0.00 H new ATOM 0 HE ARG A 135 31.600 -3.430 -20.563 1.00 0.00 H new ATOM 0 HH11 ARG A 135 29.354 -2.240 -18.055 1.00 0.00 H new ATOM 0 HH12 ARG A 135 28.134 -1.789 -19.251 1.00 0.00 H new ATOM 0 HH21 ARG A 135 29.992 -2.924 -22.015 1.00 0.00 H new ATOM 0 HH22 ARG A 135 28.492 -2.172 -21.464 1.00 0.00 H new ATOM 2233 N THR A 136 31.572 -6.806 -13.973 1.00 0.00 N ATOM 2234 CA THR A 136 31.792 -6.928 -12.536 1.00 0.00 C ATOM 2235 C THR A 136 32.359 -8.318 -12.198 1.00 0.00 C ATOM 2236 O THR A 136 33.283 -8.424 -11.393 1.00 0.00 O ATOM 2237 CB THR A 136 30.472 -6.622 -11.800 1.00 0.00 C ATOM 2238 OG1 THR A 136 29.957 -5.366 -12.219 1.00 0.00 O ATOM 2239 CG2 THR A 136 30.635 -6.537 -10.283 1.00 0.00 C ATOM 0 H THR A 136 30.595 -6.652 -14.222 1.00 0.00 H new ATOM 0 HA THR A 136 32.535 -6.205 -12.201 1.00 0.00 H new ATOM 0 HB THR A 136 29.804 -7.447 -12.046 1.00 0.00 H new ATOM 0 HG1 THR A 136 29.575 -5.452 -13.117 1.00 0.00 H new ATOM 0 HG21 THR A 136 29.670 -6.319 -9.825 1.00 0.00 H new ATOM 0 HG22 THR A 136 31.011 -7.487 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 136 31.341 -5.744 -10.037 1.00 0.00 H new ATOM 2247 N TYR A 137 31.848 -9.379 -12.831 1.00 0.00 N ATOM 2248 CA TYR A 137 32.321 -10.744 -12.633 1.00 0.00 C ATOM 2249 C TYR A 137 33.708 -10.951 -13.261 1.00 0.00 C ATOM 2250 O TYR A 137 34.552 -11.642 -12.689 1.00 0.00 O ATOM 2251 CB TYR A 137 31.291 -11.704 -13.247 1.00 0.00 C ATOM 2252 CG TYR A 137 31.579 -13.172 -13.000 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.182 -13.769 -11.788 1.00 0.00 C ATOM 2254 CD2 TYR A 137 32.239 -13.941 -13.978 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.442 -15.130 -11.551 1.00 0.00 C ATOM 2256 CE2 TYR A 137 32.504 -15.304 -13.747 1.00 0.00 C ATOM 2257 CZ TYR A 137 32.106 -15.905 -12.529 1.00 0.00 C ATOM 2258 OH TYR A 137 32.352 -17.225 -12.288 1.00 0.00 O ATOM 0 H TYR A 137 31.084 -9.308 -13.503 1.00 0.00 H new ATOM 0 HA TYR A 137 32.425 -10.943 -11.566 1.00 0.00 H new ATOM 0 HB2 TYR A 137 30.306 -11.467 -12.845 1.00 0.00 H new ATOM 0 HB3 TYR A 137 31.246 -11.531 -14.322 1.00 0.00 H new ATOM 0 HD1 TYR A 137 30.676 -13.179 -11.038 1.00 0.00 H new ATOM 0 HD2 TYR A 137 32.543 -13.484 -14.908 1.00 0.00 H new ATOM 0 HE1 TYR A 137 31.134 -15.584 -10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 137 33.011 -15.891 -14.499 1.00 0.00 H new ATOM 0 HH TYR A 137 32.814 -17.617 -13.058 1.00 0.00 H new ATOM 2268 N LEU A 138 33.946 -10.350 -14.434 1.00 0.00 N ATOM 2269 CA LEU A 138 35.210 -10.431 -15.163 1.00 0.00 C ATOM 2270 C LEU A 138 36.338 -9.791 -14.353 1.00 0.00 C ATOM 2271 O LEU A 138 37.432 -10.353 -14.289 1.00 0.00 O ATOM 2272 CB LEU A 138 35.015 -9.766 -16.544 1.00 0.00 C ATOM 2273 CG LEU A 138 36.205 -9.713 -17.526 1.00 0.00 C ATOM 2274 CD1 LEU A 138 37.199 -8.581 -17.227 1.00 0.00 C ATOM 2275 CD2 LEU A 138 36.930 -11.055 -17.666 1.00 0.00 C ATOM 0 H LEU A 138 33.246 -9.781 -14.910 1.00 0.00 H new ATOM 0 HA LEU A 138 35.501 -11.470 -15.318 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.198 -10.284 -17.046 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.685 -8.741 -16.372 1.00 0.00 H new ATOM 0 HG LEU A 138 35.749 -9.487 -18.490 1.00 0.00 H new ATOM 0 HD11 LEU A 138 38.008 -8.605 -17.957 1.00 0.00 H new ATOM 0 HD12 LEU A 138 36.686 -7.621 -17.286 1.00 0.00 H new ATOM 0 HD13 LEU A 138 37.609 -8.712 -16.226 1.00 0.00 H new ATOM 0 HD21 LEU A 138 37.756 -10.951 -18.370 1.00 0.00 H new ATOM 0 HD22 LEU A 138 37.318 -11.362 -16.695 1.00 0.00 H new ATOM 0 HD23 LEU A 138 36.233 -11.808 -18.033 1.00 0.00 H new