USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 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 45 MET CE :methyl -142:sc= -0.361 (180deg=-0.989) USER MOD Set 1.2: A 60 MET CE :methyl -112:sc= -1.82 (180deg=-3.99) USER MOD Set 2.1: A 35 CYS SG : rot 33:sc= -0.767 USER MOD Set 2.2: A 69 SER OG : rot -84:sc= 1.39 USER MOD Set 2.3: A 71 THR OG1 : rot -53:sc= 0.426 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= -0.0558 (180deg=-0.0885) USER MOD Single : A 18 ASN : amide:sc= -0.0338 X(o=-0.034,f=-0.36) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.0435 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0.053 (180deg=0.0505) USER MOD Single : A 47 MET CE :methyl 144:sc= -0.415 (180deg=-0.892) USER MOD Single : A 50 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.92) USER MOD Single : A 51 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.47) USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.0158 USER MOD Single : A 58 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.2) USER MOD Single : A 80 MET CE :methyl -126:sc= -0.0204 (180deg=-1.26) USER MOD Single : A 81 MET CE :methyl 161:sc= -0.678 (180deg=-1.7) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.414 7.985 1.430 1.00 0.00 N ATOM 66 CA TYR A 5 -5.111 7.449 0.097 1.00 0.00 C ATOM 67 C TYR A 5 -6.401 7.300 -0.716 1.00 0.00 C ATOM 68 O TYR A 5 -6.397 7.447 -1.940 1.00 0.00 O ATOM 69 CB TYR A 5 -4.426 6.078 0.204 1.00 0.00 C ATOM 70 CG TYR A 5 -3.090 6.231 0.897 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.944 6.540 0.153 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.002 6.076 2.286 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.711 6.693 0.798 1.00 0.00 C ATOM 74 CE2 TYR A 5 -1.769 6.227 2.931 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.624 6.537 2.188 1.00 0.00 C ATOM 76 OH TYR A 5 0.592 6.690 2.824 1.00 0.00 O ATOM 0 HA TYR A 5 -4.438 8.146 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.059 5.387 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.285 5.652 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.012 6.660 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.886 5.840 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.173 6.931 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.701 6.104 4.002 1.00 0.00 H new ATOM 0 HH TYR A 5 0.477 6.550 3.787 1.00 0.00 H new ATOM 86 N LYS A 6 -7.503 7.013 -0.011 1.00 0.00 N ATOM 87 CA LYS A 6 -8.809 6.850 -0.656 1.00 0.00 C ATOM 88 C LYS A 6 -9.344 8.192 -1.168 1.00 0.00 C ATOM 89 O LYS A 6 -10.126 8.235 -2.117 1.00 0.00 O ATOM 90 CB LYS A 6 -9.822 6.260 0.330 1.00 0.00 C ATOM 91 CG LYS A 6 -9.568 4.758 0.492 1.00 0.00 C ATOM 92 CD LYS A 6 -10.836 4.075 1.012 1.00 0.00 C ATOM 93 CE LYS A 6 -10.890 4.177 2.539 1.00 0.00 C ATOM 94 NZ LYS A 6 -12.312 4.164 2.990 1.00 0.00 N ATOM 0 H LYS A 6 -7.515 6.890 1.001 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.675 6.173 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.738 6.759 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.837 6.431 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.275 4.324 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.743 4.591 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.718 4.544 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.848 3.028 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.347 3.346 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.401 5.093 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.348 4.233 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.816 4.971 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.764 3.278 2.686 1.00 0.00 H new ATOM 108 N ALA A 7 -8.917 9.288 -0.530 1.00 0.00 N ATOM 109 CA ALA A 7 -9.363 10.623 -0.934 1.00 0.00 C ATOM 110 C ALA A 7 -8.865 10.970 -2.342 1.00 0.00 C ATOM 111 O ALA A 7 -9.542 11.682 -3.084 1.00 0.00 O ATOM 112 CB ALA A 7 -8.850 11.681 0.049 1.00 0.00 C ATOM 0 H ALA A 7 -8.271 9.277 0.259 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.453 10.617 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.191 12.667 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.233 11.467 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.760 11.663 0.067 1.00 0.00 H new ATOM 118 N ALA A 8 -7.680 10.460 -2.704 1.00 0.00 N ATOM 119 CA ALA A 8 -7.108 10.729 -4.026 1.00 0.00 C ATOM 120 C ALA A 8 -7.807 9.904 -5.105 1.00 0.00 C ATOM 121 O ALA A 8 -8.160 10.427 -6.162 1.00 0.00 O ATOM 122 CB ALA A 8 -5.617 10.398 -4.044 1.00 0.00 C ATOM 0 H ALA A 8 -7.106 9.866 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.253 11.789 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.210 10.604 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.100 11.009 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.475 9.344 -3.806 1.00 0.00 H new ATOM 128 N VAL A 9 -8.011 8.611 -4.825 1.00 0.00 N ATOM 129 CA VAL A 9 -8.682 7.725 -5.782 1.00 0.00 C ATOM 130 C VAL A 9 -10.141 8.159 -5.991 1.00 0.00 C ATOM 131 O VAL A 9 -10.756 7.837 -7.009 1.00 0.00 O ATOM 132 CB VAL A 9 -8.630 6.267 -5.296 1.00 0.00 C ATOM 133 CG1 VAL A 9 -9.542 6.079 -4.081 1.00 0.00 C ATOM 134 CG2 VAL A 9 -9.082 5.329 -6.421 1.00 0.00 C ATOM 0 H VAL A 9 -7.725 8.160 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.157 7.795 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.605 6.030 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.495 5.042 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.213 6.735 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.568 6.326 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.043 4.297 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.103 5.576 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.421 5.446 -7.280 1.00 0.00 H new ATOM 144 N GLU A 10 -10.683 8.902 -5.019 1.00 0.00 N ATOM 145 CA GLU A 10 -12.059 9.389 -5.108 1.00 0.00 C ATOM 146 C GLU A 10 -12.146 10.657 -5.966 1.00 0.00 C ATOM 147 O GLU A 10 -13.229 11.023 -6.426 1.00 0.00 O ATOM 148 CB GLU A 10 -12.610 9.695 -3.711 1.00 0.00 C ATOM 149 CG GLU A 10 -12.975 8.386 -3.002 1.00 0.00 C ATOM 150 CD GLU A 10 -14.399 7.982 -3.369 1.00 0.00 C ATOM 151 OE1 GLU A 10 -14.560 7.279 -4.355 1.00 0.00 O ATOM 152 OE2 GLU A 10 -15.310 8.378 -2.659 1.00 0.00 O ATOM 0 H GLU A 10 -10.191 9.176 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.653 8.604 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.868 10.241 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.489 10.335 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.278 7.599 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.889 8.510 -1.922 1.00 0.00 H new ATOM 159 N GLN A 11 -11.001 11.327 -6.176 1.00 0.00 N ATOM 160 CA GLN A 11 -10.986 12.554 -6.980 1.00 0.00 C ATOM 161 C GLN A 11 -9.850 12.534 -8.012 1.00 0.00 C ATOM 162 O GLN A 11 -9.327 13.584 -8.397 1.00 0.00 O ATOM 163 CB GLN A 11 -10.834 13.788 -6.075 1.00 0.00 C ATOM 164 CG GLN A 11 -9.484 13.745 -5.347 1.00 0.00 C ATOM 165 CD GLN A 11 -9.537 14.650 -4.118 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.788 15.622 -4.025 1.00 0.00 O ATOM 167 NE2 GLN A 11 -10.383 14.387 -3.157 1.00 0.00 N ATOM 0 H GLN A 11 -10.093 11.045 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.936 12.608 -7.512 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.905 14.697 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.647 13.819 -5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.252 12.723 -5.049 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.688 14.070 -6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.005 13.582 -3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.421 14.987 -2.333 1.00 0.00 H new ATOM 176 N LEU A 12 -9.481 11.331 -8.466 1.00 0.00 N ATOM 177 CA LEU A 12 -8.410 11.200 -9.463 1.00 0.00 C ATOM 178 C LEU A 12 -8.895 11.675 -10.837 1.00 0.00 C ATOM 179 O LEU A 12 -10.045 12.096 -10.996 1.00 0.00 O ATOM 180 CB LEU A 12 -7.914 9.746 -9.574 1.00 0.00 C ATOM 181 CG LEU A 12 -8.974 8.648 -9.405 1.00 0.00 C ATOM 182 CD1 LEU A 12 -10.190 8.946 -10.287 1.00 0.00 C ATOM 183 CD2 LEU A 12 -8.371 7.300 -9.807 1.00 0.00 C ATOM 0 H LEU A 12 -9.898 10.449 -8.167 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.581 11.825 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.443 9.619 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.139 9.591 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.293 8.616 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.934 8.160 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.621 9.905 -10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.881 8.985 -11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.120 6.517 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.050 7.341 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.513 7.081 -9.171 1.00 0.00 H new ATOM 195 N THR A 13 -8.004 11.605 -11.828 1.00 0.00 N ATOM 196 CA THR A 13 -8.343 12.032 -13.187 1.00 0.00 C ATOM 197 C THR A 13 -8.678 10.829 -14.063 1.00 0.00 C ATOM 198 O THR A 13 -8.426 9.679 -13.694 1.00 0.00 O ATOM 199 CB THR A 13 -7.172 12.796 -13.830 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.956 12.480 -13.160 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.431 14.300 -13.743 1.00 0.00 C ATOM 0 H THR A 13 -7.051 11.260 -11.717 1.00 0.00 H new ATOM 0 HA THR A 13 -9.211 12.688 -13.115 1.00 0.00 H new ATOM 0 HB THR A 13 -7.088 12.502 -14.876 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.216 12.969 -13.577 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.601 14.839 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.354 14.541 -14.271 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.524 14.593 -12.697 1.00 0.00 H new ATOM 209 N ASP A 14 -9.229 11.114 -15.245 1.00 0.00 N ATOM 210 CA ASP A 14 -9.574 10.058 -16.194 1.00 0.00 C ATOM 211 C ASP A 14 -8.299 9.472 -16.794 1.00 0.00 C ATOM 212 O ASP A 14 -8.233 8.280 -17.108 1.00 0.00 O ATOM 213 CB ASP A 14 -10.451 10.609 -17.321 1.00 0.00 C ATOM 214 CG ASP A 14 -11.903 10.679 -16.858 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.266 11.675 -16.254 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.632 9.734 -17.115 1.00 0.00 O ATOM 0 H ASP A 14 -9.444 12.059 -15.564 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.127 9.284 -15.662 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.104 11.600 -17.612 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.371 9.972 -18.202 1.00 0.00 H new ATOM 221 N GLU A 15 -7.281 10.330 -16.936 1.00 0.00 N ATOM 222 CA GLU A 15 -5.993 9.907 -17.482 1.00 0.00 C ATOM 223 C GLU A 15 -5.355 8.846 -16.582 1.00 0.00 C ATOM 224 O GLU A 15 -4.761 7.892 -17.074 1.00 0.00 O ATOM 225 CB GLU A 15 -5.045 11.109 -17.622 1.00 0.00 C ATOM 226 CG GLU A 15 -4.597 11.601 -16.241 1.00 0.00 C ATOM 227 CD GLU A 15 -4.095 13.037 -16.344 1.00 0.00 C ATOM 228 OE1 GLU A 15 -2.924 13.214 -16.640 1.00 0.00 O ATOM 229 OE2 GLU A 15 -4.887 13.938 -16.125 1.00 0.00 O ATOM 0 H GLU A 15 -7.327 11.316 -16.681 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.166 9.478 -18.469 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.175 10.827 -18.214 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.547 11.915 -18.157 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.428 11.546 -15.538 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.808 10.957 -15.853 1.00 0.00 H new ATOM 236 N GLN A 16 -5.504 9.018 -15.258 1.00 0.00 N ATOM 237 CA GLN A 16 -4.949 8.061 -14.289 1.00 0.00 C ATOM 238 C GLN A 16 -5.536 6.667 -14.514 1.00 0.00 C ATOM 239 O GLN A 16 -4.836 5.659 -14.403 1.00 0.00 O ATOM 240 CB GLN A 16 -5.262 8.506 -12.856 1.00 0.00 C ATOM 241 CG GLN A 16 -4.044 9.219 -12.264 1.00 0.00 C ATOM 242 CD GLN A 16 -4.112 9.172 -10.740 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.607 8.236 -10.118 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.714 10.135 -10.093 1.00 0.00 N ATOM 0 H GLN A 16 -6.000 9.804 -14.838 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.869 8.028 -14.433 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.124 9.173 -12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.523 7.642 -12.245 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.127 8.743 -12.612 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.015 10.254 -12.605 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.133 10.911 -10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.765 10.111 -9.075 1.00 0.00 H new ATOM 253 N LYS A 17 -6.830 6.633 -14.845 1.00 0.00 N ATOM 254 CA LYS A 17 -7.528 5.368 -15.104 1.00 0.00 C ATOM 255 C LYS A 17 -7.062 4.731 -16.421 1.00 0.00 C ATOM 256 O LYS A 17 -7.399 3.585 -16.711 1.00 0.00 O ATOM 257 CB LYS A 17 -9.046 5.592 -15.184 1.00 0.00 C ATOM 258 CG LYS A 17 -9.557 6.244 -13.893 1.00 0.00 C ATOM 259 CD LYS A 17 -9.342 5.296 -12.714 1.00 0.00 C ATOM 260 CE LYS A 17 -10.567 5.326 -11.795 1.00 0.00 C ATOM 261 NZ LYS A 17 -10.422 4.285 -10.736 1.00 0.00 N ATOM 0 H LYS A 17 -7.415 7.463 -14.940 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.292 4.699 -14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.282 6.227 -16.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.553 4.640 -15.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.032 7.183 -13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.616 6.484 -13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.173 4.282 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.451 5.588 -12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.669 6.311 -11.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.473 5.147 -12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.290 4.248 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.260 3.358 -11.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.615 4.522 -10.125 1.00 0.00 H new ATOM 275 N ASN A 18 -6.296 5.486 -17.220 1.00 0.00 N ATOM 276 CA ASN A 18 -5.802 4.983 -18.502 1.00 0.00 C ATOM 277 C ASN A 18 -4.288 4.737 -18.465 1.00 0.00 C ATOM 278 O ASN A 18 -3.780 3.872 -19.181 1.00 0.00 O ATOM 279 CB ASN A 18 -6.118 5.984 -19.619 1.00 0.00 C ATOM 280 CG ASN A 18 -7.525 5.729 -20.158 1.00 0.00 C ATOM 281 OD1 ASN A 18 -7.873 4.598 -20.499 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.364 6.725 -20.258 1.00 0.00 N ATOM 0 H ASN A 18 -6.008 6.440 -17.001 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.304 4.035 -18.696 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.043 7.003 -19.239 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.388 5.889 -20.423 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.305 6.565 -20.618 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.078 7.663 -19.976 1.00 0.00 H new ATOM 289 N GLU A 19 -3.569 5.503 -17.629 1.00 0.00 N ATOM 290 CA GLU A 19 -2.106 5.347 -17.521 1.00 0.00 C ATOM 291 C GLU A 19 -1.756 3.940 -17.051 1.00 0.00 C ATOM 292 O GLU A 19 -0.936 3.251 -17.660 1.00 0.00 O ATOM 293 CB GLU A 19 -1.496 6.339 -16.515 1.00 0.00 C ATOM 294 CG GLU A 19 -2.043 7.745 -16.749 1.00 0.00 C ATOM 295 CD GLU A 19 -0.908 8.761 -16.663 1.00 0.00 C ATOM 296 OE1 GLU A 19 -0.219 8.937 -17.655 1.00 0.00 O ATOM 297 OE2 GLU A 19 -0.747 9.352 -15.607 1.00 0.00 O ATOM 0 H GLU A 19 -3.966 6.225 -17.027 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.698 5.540 -18.513 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.722 6.019 -15.498 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.410 6.344 -16.613 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.521 7.801 -17.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.807 7.976 -16.007 1.00 0.00 H new ATOM 304 N PHE A 20 -2.383 3.536 -15.948 1.00 0.00 N ATOM 305 CA PHE A 20 -2.138 2.220 -15.369 1.00 0.00 C ATOM 306 C PHE A 20 -2.935 1.133 -16.088 1.00 0.00 C ATOM 307 O PHE A 20 -2.439 0.026 -16.276 1.00 0.00 O ATOM 308 CB PHE A 20 -2.525 2.217 -13.891 1.00 0.00 C ATOM 309 CG PHE A 20 -1.421 2.837 -13.069 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.407 4.220 -12.845 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.420 2.028 -12.517 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.394 4.790 -12.067 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.593 2.599 -11.741 1.00 0.00 C ATOM 314 CZ PHE A 20 0.605 3.980 -11.515 1.00 0.00 C ATOM 0 H PHE A 20 -3.063 4.101 -15.439 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.075 2.007 -15.481 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.452 2.772 -13.748 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.710 1.196 -13.557 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.177 4.845 -13.272 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.431 0.962 -12.691 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.383 5.856 -11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.365 1.975 -11.316 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.386 4.421 -10.914 1.00 0.00 H new ATOM 324 N LYS A 21 -4.177 1.450 -16.476 1.00 0.00 N ATOM 325 CA LYS A 21 -5.030 0.469 -17.161 1.00 0.00 C ATOM 326 C LYS A 21 -4.364 -0.050 -18.439 1.00 0.00 C ATOM 327 O LYS A 21 -4.463 -1.235 -18.754 1.00 0.00 O ATOM 328 CB LYS A 21 -6.390 1.082 -17.508 1.00 0.00 C ATOM 329 CG LYS A 21 -7.280 0.031 -18.182 1.00 0.00 C ATOM 330 CD LYS A 21 -7.287 0.254 -19.698 1.00 0.00 C ATOM 331 CE LYS A 21 -8.468 1.149 -20.083 1.00 0.00 C ATOM 332 NZ LYS A 21 -9.688 0.313 -20.281 1.00 0.00 N ATOM 0 H LYS A 21 -4.609 2.363 -16.331 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.176 -0.368 -16.478 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.872 1.454 -16.604 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.255 1.936 -18.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.914 -0.970 -17.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.295 0.096 -17.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.351 0.716 -20.012 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.359 -0.703 -20.216 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.645 1.889 -19.303 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.239 1.697 -20.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.488 0.923 -20.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.517 -0.377 -21.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.911 -0.191 -19.399 1.00 0.00 H new ATOM 346 N ALA A 22 -3.681 0.843 -19.163 1.00 0.00 N ATOM 347 CA ALA A 22 -2.993 0.456 -20.401 1.00 0.00 C ATOM 348 C ALA A 22 -1.975 -0.650 -20.125 1.00 0.00 C ATOM 349 O ALA A 22 -1.892 -1.634 -20.859 1.00 0.00 O ATOM 350 CB ALA A 22 -2.267 1.654 -21.009 1.00 0.00 C ATOM 0 H ALA A 22 -3.590 1.829 -18.917 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.746 0.093 -21.101 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.763 1.347 -21.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.988 2.439 -21.236 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.531 2.032 -20.299 1.00 0.00 H new ATOM 356 N ALA A 23 -1.217 -0.482 -19.045 1.00 0.00 N ATOM 357 CA ALA A 23 -0.225 -1.478 -18.652 1.00 0.00 C ATOM 358 C ALA A 23 -0.924 -2.656 -17.970 1.00 0.00 C ATOM 359 O ALA A 23 -0.459 -3.792 -18.023 1.00 0.00 O ATOM 360 CB ALA A 23 0.786 -0.870 -17.680 1.00 0.00 C ATOM 0 H ALA A 23 -1.270 0.330 -18.429 1.00 0.00 H new ATOM 0 HA ALA A 23 0.298 -1.819 -19.546 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.519 -1.626 -17.397 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.294 -0.034 -18.160 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.267 -0.516 -16.789 1.00 0.00 H new ATOM 366 N PHE A 24 -2.055 -2.359 -17.326 1.00 0.00 N ATOM 367 CA PHE A 24 -2.831 -3.377 -16.625 1.00 0.00 C ATOM 368 C PHE A 24 -3.360 -4.439 -17.591 1.00 0.00 C ATOM 369 O PHE A 24 -3.331 -5.627 -17.276 1.00 0.00 O ATOM 370 CB PHE A 24 -4.018 -2.731 -15.893 1.00 0.00 C ATOM 371 CG PHE A 24 -4.567 -3.684 -14.854 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.365 -4.766 -15.245 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.278 -3.484 -13.498 1.00 0.00 C ATOM 374 CE1 PHE A 24 -5.874 -5.644 -14.283 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.786 -4.364 -12.538 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.583 -5.441 -12.930 1.00 0.00 C ATOM 0 H PHE A 24 -2.452 -1.421 -17.277 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.167 -3.857 -15.906 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.700 -1.804 -15.416 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.799 -2.471 -16.608 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.588 -4.923 -16.290 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.663 -2.650 -13.194 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.491 -6.478 -14.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.562 -4.211 -11.493 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.976 -6.119 -12.187 1.00 0.00 H new ATOM 386 N ASP A 25 -3.855 -4.011 -18.763 1.00 0.00 N ATOM 387 CA ASP A 25 -4.403 -4.969 -19.733 1.00 0.00 C ATOM 388 C ASP A 25 -3.309 -5.835 -20.372 1.00 0.00 C ATOM 389 O ASP A 25 -3.566 -6.979 -20.757 1.00 0.00 O ATOM 390 CB ASP A 25 -5.217 -4.262 -20.834 1.00 0.00 C ATOM 391 CG ASP A 25 -4.371 -3.235 -21.590 1.00 0.00 C ATOM 392 OD1 ASP A 25 -3.512 -3.641 -22.355 1.00 0.00 O ATOM 393 OD2 ASP A 25 -4.618 -2.056 -21.412 1.00 0.00 O ATOM 0 H ASP A 25 -3.887 -3.035 -19.056 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.070 -5.622 -19.170 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.602 -5.003 -21.534 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.079 -3.766 -20.388 1.00 0.00 H new ATOM 398 N ILE A 26 -2.094 -5.290 -20.487 1.00 0.00 N ATOM 399 CA ILE A 26 -0.989 -6.047 -21.092 1.00 0.00 C ATOM 400 C ILE A 26 -0.340 -6.991 -20.074 1.00 0.00 C ATOM 401 O ILE A 26 0.039 -8.111 -20.418 1.00 0.00 O ATOM 402 CB ILE A 26 0.079 -5.111 -21.682 1.00 0.00 C ATOM 403 CG1 ILE A 26 0.548 -4.103 -20.624 1.00 0.00 C ATOM 404 CG2 ILE A 26 -0.517 -4.360 -22.877 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.745 -3.307 -21.146 1.00 0.00 C ATOM 0 H ILE A 26 -1.851 -4.349 -20.177 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.417 -6.640 -21.900 1.00 0.00 H new ATOM 0 HB ILE A 26 0.935 -5.703 -22.005 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.267 -3.424 -20.371 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.822 -4.627 -19.708 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.235 -3.694 -23.300 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.835 -5.076 -23.635 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.375 -3.775 -22.547 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.068 -2.595 -20.386 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.563 -3.989 -21.376 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.458 -2.768 -22.049 1.00 0.00 H new ATOM 417 N PHE A 27 -0.215 -6.536 -18.820 1.00 0.00 N ATOM 418 CA PHE A 27 0.394 -7.368 -17.773 1.00 0.00 C ATOM 419 C PHE A 27 -0.529 -8.531 -17.386 1.00 0.00 C ATOM 420 O PHE A 27 -0.056 -9.641 -17.134 1.00 0.00 O ATOM 421 CB PHE A 27 0.718 -6.538 -16.522 1.00 0.00 C ATOM 422 CG PHE A 27 1.860 -5.586 -16.821 1.00 0.00 C ATOM 423 CD1 PHE A 27 3.007 -6.043 -17.489 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.768 -4.244 -16.438 1.00 0.00 C ATOM 425 CE1 PHE A 27 4.052 -5.157 -17.772 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.815 -3.360 -16.721 1.00 0.00 C ATOM 427 CZ PHE A 27 3.956 -3.816 -17.389 1.00 0.00 C ATOM 0 H PHE A 27 -0.521 -5.614 -18.509 1.00 0.00 H new ATOM 0 HA PHE A 27 1.321 -7.770 -18.181 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.162 -5.978 -16.208 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.988 -7.197 -15.697 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.083 -7.079 -17.785 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.887 -3.889 -15.923 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.934 -5.509 -18.287 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.742 -2.324 -16.423 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.763 -3.132 -17.609 1.00 0.00 H new ATOM 437 N ILE A 28 -1.847 -8.278 -17.355 1.00 0.00 N ATOM 438 CA ILE A 28 -2.811 -9.336 -17.010 1.00 0.00 C ATOM 439 C ILE A 28 -3.279 -10.096 -18.265 1.00 0.00 C ATOM 440 O ILE A 28 -4.216 -10.894 -18.198 1.00 0.00 O ATOM 441 CB ILE A 28 -4.042 -8.765 -16.278 1.00 0.00 C ATOM 442 CG1 ILE A 28 -4.897 -7.923 -17.238 1.00 0.00 C ATOM 443 CG2 ILE A 28 -3.588 -7.892 -15.107 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.038 -8.776 -17.798 1.00 0.00 C ATOM 0 H ILE A 28 -2.264 -7.370 -17.560 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.292 -10.026 -16.344 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.641 -9.597 -15.907 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.301 -7.056 -16.715 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.280 -7.544 -18.053 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.461 -7.491 -14.593 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.001 -8.492 -14.412 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.978 -7.070 -15.481 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.642 -8.175 -18.478 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.624 -9.628 -18.337 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.662 -9.133 -16.978 1.00 0.00 H new ATOM 456 N GLN A 29 -2.612 -9.849 -19.405 1.00 0.00 N ATOM 457 CA GLN A 29 -2.960 -10.517 -20.667 1.00 0.00 C ATOM 458 C GLN A 29 -3.053 -12.037 -20.482 1.00 0.00 C ATOM 459 O GLN A 29 -3.936 -12.688 -21.044 1.00 0.00 O ATOM 460 CB GLN A 29 -1.900 -10.206 -21.730 1.00 0.00 C ATOM 461 CG GLN A 29 -2.219 -10.958 -23.024 1.00 0.00 C ATOM 462 CD GLN A 29 -1.253 -10.512 -24.118 1.00 0.00 C ATOM 463 OE1 GLN A 29 -0.389 -11.281 -24.541 1.00 0.00 O ATOM 464 NE2 GLN A 29 -1.347 -9.302 -24.604 1.00 0.00 N ATOM 0 H GLN A 29 -1.833 -9.195 -19.477 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.932 -10.143 -20.987 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.869 -9.133 -21.921 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.913 -10.494 -21.366 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.134 -12.033 -22.864 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.247 -10.761 -23.328 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.063 -8.666 -24.253 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.705 -8.994 -25.334 1.00 0.00 H new ATOM 473 N ASP A 30 -2.129 -12.589 -19.694 1.00 0.00 N ATOM 474 CA ASP A 30 -2.103 -14.035 -19.442 1.00 0.00 C ATOM 475 C ASP A 30 -2.708 -14.386 -18.072 1.00 0.00 C ATOM 476 O ASP A 30 -2.538 -15.506 -17.582 1.00 0.00 O ATOM 477 CB ASP A 30 -0.659 -14.552 -19.498 1.00 0.00 C ATOM 478 CG ASP A 30 -0.069 -14.283 -20.882 1.00 0.00 C ATOM 479 OD1 ASP A 30 -0.221 -15.133 -21.745 1.00 0.00 O ATOM 480 OD2 ASP A 30 0.528 -13.232 -21.057 1.00 0.00 O ATOM 0 H ASP A 30 -1.393 -12.064 -19.222 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.704 -14.511 -20.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.057 -14.061 -18.734 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.636 -15.621 -19.284 1.00 0.00 H new ATOM 485 N ALA A 31 -3.422 -13.431 -17.464 1.00 0.00 N ATOM 486 CA ALA A 31 -4.050 -13.661 -16.162 1.00 0.00 C ATOM 487 C ALA A 31 -5.530 -13.993 -16.336 1.00 0.00 C ATOM 488 O ALA A 31 -6.169 -13.570 -17.302 1.00 0.00 O ATOM 489 CB ALA A 31 -3.921 -12.425 -15.269 1.00 0.00 C ATOM 0 H ALA A 31 -3.577 -12.500 -17.851 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.538 -14.500 -15.691 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.395 -12.620 -14.307 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.867 -12.196 -15.114 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.409 -11.577 -15.749 1.00 0.00 H new ATOM 495 N GLU A 32 -6.063 -14.756 -15.382 1.00 0.00 N ATOM 496 CA GLU A 32 -7.473 -15.150 -15.420 1.00 0.00 C ATOM 497 C GLU A 32 -8.160 -14.797 -14.095 1.00 0.00 C ATOM 498 O GLU A 32 -8.932 -15.588 -13.546 1.00 0.00 O ATOM 499 CB GLU A 32 -7.598 -16.658 -15.682 1.00 0.00 C ATOM 500 CG GLU A 32 -6.945 -17.003 -17.026 1.00 0.00 C ATOM 501 CD GLU A 32 -7.161 -18.480 -17.340 1.00 0.00 C ATOM 502 OE1 GLU A 32 -6.371 -19.287 -16.876 1.00 0.00 O ATOM 503 OE2 GLU A 32 -8.113 -18.783 -18.040 1.00 0.00 O ATOM 0 H GLU A 32 -5.545 -15.112 -14.579 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.961 -14.607 -16.229 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.118 -17.218 -14.879 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.648 -16.950 -15.691 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.372 -16.387 -17.817 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.878 -16.781 -16.990 1.00 0.00 H new ATOM 510 N ASP A 33 -7.859 -13.596 -13.587 1.00 0.00 N ATOM 511 CA ASP A 33 -8.441 -13.136 -12.321 1.00 0.00 C ATOM 512 C ASP A 33 -8.815 -11.654 -12.389 1.00 0.00 C ATOM 513 O ASP A 33 -9.923 -11.266 -12.012 1.00 0.00 O ATOM 514 CB ASP A 33 -7.450 -13.351 -11.171 1.00 0.00 C ATOM 515 CG ASP A 33 -7.562 -14.786 -10.662 1.00 0.00 C ATOM 516 OD1 ASP A 33 -6.851 -15.634 -11.178 1.00 0.00 O ATOM 517 OD2 ASP A 33 -8.355 -15.015 -9.763 1.00 0.00 O ATOM 0 H ASP A 33 -7.223 -12.931 -14.028 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.345 -13.719 -12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.434 -13.153 -11.511 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.658 -12.650 -10.362 1.00 0.00 H new ATOM 522 N GLY A 34 -7.876 -10.834 -12.863 1.00 0.00 N ATOM 523 CA GLY A 34 -8.102 -9.390 -12.971 1.00 0.00 C ATOM 524 C GLY A 34 -7.090 -8.622 -12.122 1.00 0.00 C ATOM 525 O GLY A 34 -7.439 -7.659 -11.436 1.00 0.00 O ATOM 0 H GLY A 34 -6.956 -11.142 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.020 -9.081 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.114 -9.150 -12.646 1.00 0.00 H new ATOM 529 N CYS A 35 -5.832 -9.071 -12.176 1.00 0.00 N ATOM 530 CA CYS A 35 -4.754 -8.438 -11.412 1.00 0.00 C ATOM 531 C CYS A 35 -3.401 -8.772 -12.040 1.00 0.00 C ATOM 532 O CYS A 35 -3.210 -9.861 -12.587 1.00 0.00 O ATOM 533 CB CYS A 35 -4.771 -8.926 -9.959 1.00 0.00 C ATOM 534 SG CYS A 35 -4.936 -10.729 -9.921 1.00 0.00 S ATOM 0 H CYS A 35 -5.536 -9.868 -12.739 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.908 -7.359 -11.429 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.854 -8.625 -9.454 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.598 -8.464 -9.420 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.336 -11.242 -10.954 1.00 0.00 H new ATOM 540 N ILE A 36 -2.463 -7.824 -11.959 1.00 0.00 N ATOM 541 CA ILE A 36 -1.129 -8.037 -12.530 1.00 0.00 C ATOM 542 C ILE A 36 -0.245 -8.796 -11.538 1.00 0.00 C ATOM 543 O ILE A 36 -0.631 -9.021 -10.391 1.00 0.00 O ATOM 544 CB ILE A 36 -0.457 -6.700 -12.905 1.00 0.00 C ATOM 545 CG1 ILE A 36 0.005 -5.964 -11.641 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.443 -5.814 -13.676 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.525 -6.094 -11.496 1.00 0.00 C ATOM 0 H ILE A 36 -2.598 -6.917 -11.512 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.248 -8.627 -13.439 1.00 0.00 H new ATOM 0 HB ILE A 36 0.408 -6.912 -13.533 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.276 -4.912 -11.697 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.491 -6.380 -10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.959 -4.872 -13.936 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.756 -6.325 -14.587 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.315 -5.614 -13.054 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.851 -5.570 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.794 -7.147 -11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.012 -5.657 -12.367 1.00 0.00 H new ATOM 559 N SER A 37 0.945 -9.188 -11.995 1.00 0.00 N ATOM 560 CA SER A 37 1.874 -9.923 -11.138 1.00 0.00 C ATOM 561 C SER A 37 2.813 -8.962 -10.413 1.00 0.00 C ATOM 562 O SER A 37 3.643 -8.295 -11.035 1.00 0.00 O ATOM 563 CB SER A 37 2.709 -10.907 -11.963 1.00 0.00 C ATOM 564 OG SER A 37 3.494 -11.709 -11.088 1.00 0.00 O ATOM 0 H SER A 37 1.284 -9.012 -12.941 1.00 0.00 H new ATOM 0 HA SER A 37 1.283 -10.474 -10.406 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.057 -11.539 -12.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.354 -10.364 -12.654 1.00 0.00 H new ATOM 0 HG SER A 37 4.028 -12.341 -11.614 1.00 0.00 H new ATOM 570 N THR A 38 2.676 -8.913 -9.083 1.00 0.00 N ATOM 571 CA THR A 38 3.526 -8.047 -8.255 1.00 0.00 C ATOM 572 C THR A 38 5.003 -8.361 -8.502 1.00 0.00 C ATOM 573 O THR A 38 5.850 -7.469 -8.499 1.00 0.00 O ATOM 574 CB THR A 38 3.219 -8.248 -6.765 1.00 0.00 C ATOM 575 OG1 THR A 38 3.424 -9.611 -6.414 1.00 0.00 O ATOM 576 CG2 THR A 38 1.768 -7.863 -6.484 1.00 0.00 C ATOM 0 H THR A 38 1.991 -9.458 -8.559 1.00 0.00 H new ATOM 0 HA THR A 38 3.318 -7.013 -8.530 1.00 0.00 H new ATOM 0 HB THR A 38 3.883 -7.618 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.852 -9.661 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.552 -8.006 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.611 -6.817 -6.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.104 -8.490 -7.078 1.00 0.00 H new ATOM 584 N LYS A 39 5.294 -9.644 -8.734 1.00 0.00 N ATOM 585 CA LYS A 39 6.670 -10.076 -9.006 1.00 0.00 C ATOM 586 C LYS A 39 7.191 -9.410 -10.284 1.00 0.00 C ATOM 587 O LYS A 39 8.386 -9.139 -10.415 1.00 0.00 O ATOM 588 CB LYS A 39 6.740 -11.600 -9.182 1.00 0.00 C ATOM 589 CG LYS A 39 6.093 -12.291 -7.979 1.00 0.00 C ATOM 590 CD LYS A 39 5.456 -13.612 -8.421 1.00 0.00 C ATOM 591 CE LYS A 39 6.524 -14.709 -8.482 1.00 0.00 C ATOM 592 NZ LYS A 39 5.899 -16.035 -8.207 1.00 0.00 N ATOM 0 H LYS A 39 4.604 -10.395 -8.739 1.00 0.00 H new ATOM 0 HA LYS A 39 7.285 -9.782 -8.155 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.229 -11.893 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.778 -11.917 -9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.842 -12.477 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.337 -11.641 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.668 -13.897 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.989 -13.492 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.997 -14.716 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.308 -14.507 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.626 -16.777 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.468 -16.026 -7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.166 -16.228 -8.919 1.00 0.00 H new ATOM 606 N GLU A 40 6.271 -9.153 -11.222 1.00 0.00 N ATOM 607 CA GLU A 40 6.629 -8.518 -12.494 1.00 0.00 C ATOM 608 C GLU A 40 6.442 -6.991 -12.451 1.00 0.00 C ATOM 609 O GLU A 40 6.452 -6.337 -13.498 1.00 0.00 O ATOM 610 CB GLU A 40 5.775 -9.087 -13.632 1.00 0.00 C ATOM 611 CG GLU A 40 6.103 -10.571 -13.834 1.00 0.00 C ATOM 612 CD GLU A 40 6.069 -10.906 -15.323 1.00 0.00 C ATOM 613 OE1 GLU A 40 4.980 -11.064 -15.851 1.00 0.00 O ATOM 614 OE2 GLU A 40 7.133 -11.002 -15.914 1.00 0.00 O ATOM 0 H GLU A 40 5.280 -9.374 -11.124 1.00 0.00 H new ATOM 0 HA GLU A 40 7.683 -8.732 -12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.717 -8.967 -13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.964 -8.535 -14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.087 -10.795 -13.423 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.384 -11.189 -13.296 1.00 0.00 H new ATOM 621 N LEU A 41 6.285 -6.419 -11.242 1.00 0.00 N ATOM 622 CA LEU A 41 6.117 -4.962 -11.108 1.00 0.00 C ATOM 623 C LEU A 41 7.310 -4.216 -11.719 1.00 0.00 C ATOM 624 O LEU A 41 7.186 -3.057 -12.108 1.00 0.00 O ATOM 625 CB LEU A 41 5.981 -4.546 -9.636 1.00 0.00 C ATOM 626 CG LEU A 41 4.742 -3.703 -9.287 1.00 0.00 C ATOM 627 CD1 LEU A 41 4.661 -2.475 -10.200 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.476 -4.546 -9.462 1.00 0.00 C ATOM 0 H LEU A 41 6.271 -6.933 -10.361 1.00 0.00 H new ATOM 0 HA LEU A 41 5.204 -4.698 -11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.967 -5.448 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.871 -3.983 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 41 4.824 -3.374 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.780 -1.887 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.555 -1.865 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.591 -2.798 -11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.601 -3.945 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.403 -4.883 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.521 -5.411 -8.801 1.00 0.00 H new ATOM 640 N GLY A 42 8.466 -4.894 -11.809 1.00 0.00 N ATOM 641 CA GLY A 42 9.662 -4.281 -12.391 1.00 0.00 C ATOM 642 C GLY A 42 9.383 -3.813 -13.822 1.00 0.00 C ATOM 643 O GLY A 42 9.733 -2.694 -14.198 1.00 0.00 O ATOM 0 H GLY A 42 8.593 -5.854 -11.490 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.978 -3.435 -11.781 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.483 -4.999 -12.390 1.00 0.00 H new ATOM 647 N LYS A 43 8.721 -4.678 -14.603 1.00 0.00 N ATOM 648 CA LYS A 43 8.367 -4.343 -15.988 1.00 0.00 C ATOM 649 C LYS A 43 7.282 -3.262 -16.005 1.00 0.00 C ATOM 650 O LYS A 43 7.173 -2.485 -16.957 1.00 0.00 O ATOM 651 CB LYS A 43 7.840 -5.578 -16.731 1.00 0.00 C ATOM 652 CG LYS A 43 8.923 -6.661 -16.780 1.00 0.00 C ATOM 653 CD LYS A 43 8.274 -8.023 -17.048 1.00 0.00 C ATOM 654 CE LYS A 43 9.310 -8.979 -17.646 1.00 0.00 C ATOM 655 NZ LYS A 43 9.993 -9.728 -16.551 1.00 0.00 N ATOM 0 H LYS A 43 8.423 -5.606 -14.303 1.00 0.00 H new ATOM 0 HA LYS A 43 9.267 -3.980 -16.485 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.952 -5.963 -16.230 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.542 -5.304 -17.743 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.647 -6.431 -17.562 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.470 -6.686 -15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.876 -8.436 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.433 -7.908 -17.732 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.824 -9.676 -18.329 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.042 -8.420 -18.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.742 -10.326 -16.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.412 -9.054 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.301 -10.326 -16.056 1.00 0.00 H new ATOM 669 N VAL A 44 6.488 -3.225 -14.930 1.00 0.00 N ATOM 670 CA VAL A 44 5.409 -2.249 -14.795 1.00 0.00 C ATOM 671 C VAL A 44 5.989 -0.863 -14.531 1.00 0.00 C ATOM 672 O VAL A 44 5.647 0.103 -15.214 1.00 0.00 O ATOM 673 CB VAL A 44 4.483 -2.626 -13.632 1.00 0.00 C ATOM 674 CG1 VAL A 44 3.250 -1.725 -13.650 1.00 0.00 C ATOM 675 CG2 VAL A 44 4.042 -4.091 -13.760 1.00 0.00 C ATOM 0 H VAL A 44 6.575 -3.864 -14.139 1.00 0.00 H new ATOM 0 HA VAL A 44 4.839 -2.243 -15.724 1.00 0.00 H new ATOM 0 HB VAL A 44 5.023 -2.496 -12.694 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.592 -1.993 -12.824 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.558 -0.685 -13.546 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.719 -1.854 -14.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.385 -4.347 -12.929 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.508 -4.230 -14.700 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.919 -4.738 -13.742 1.00 0.00 H new ATOM 685 N MET A 45 6.876 -0.784 -13.533 1.00 0.00 N ATOM 686 CA MET A 45 7.513 0.484 -13.181 1.00 0.00 C ATOM 687 C MET A 45 8.239 1.065 -14.391 1.00 0.00 C ATOM 688 O MET A 45 8.209 2.273 -14.615 1.00 0.00 O ATOM 689 CB MET A 45 8.518 0.292 -12.040 1.00 0.00 C ATOM 690 CG MET A 45 7.797 0.413 -10.695 1.00 0.00 C ATOM 691 SD MET A 45 7.493 2.160 -10.325 1.00 0.00 S ATOM 692 CE MET A 45 5.823 1.965 -9.657 1.00 0.00 C ATOM 0 H MET A 45 7.165 -1.577 -12.961 1.00 0.00 H new ATOM 0 HA MET A 45 6.732 1.171 -12.856 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.994 -0.685 -12.122 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.309 1.039 -12.109 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.854 -0.132 -10.726 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.399 -0.037 -9.906 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.204 2.805 -9.973 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.390 1.036 -10.026 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.868 1.937 -8.568 1.00 0.00 H new ATOM 702 N ARG A 46 8.882 0.188 -15.174 1.00 0.00 N ATOM 703 CA ARG A 46 9.605 0.630 -16.373 1.00 0.00 C ATOM 704 C ARG A 46 8.641 1.281 -17.365 1.00 0.00 C ATOM 705 O ARG A 46 8.982 2.266 -18.023 1.00 0.00 O ATOM 706 CB ARG A 46 10.311 -0.549 -17.043 1.00 0.00 C ATOM 707 CG ARG A 46 11.457 -1.023 -16.149 1.00 0.00 C ATOM 708 CD ARG A 46 12.024 -2.339 -16.688 1.00 0.00 C ATOM 709 NE ARG A 46 13.468 -2.412 -16.458 1.00 0.00 N ATOM 710 CZ ARG A 46 14.344 -1.745 -17.226 1.00 0.00 C ATOM 711 NH1 ARG A 46 13.933 -1.001 -18.227 1.00 0.00 N ATOM 712 NH2 ARG A 46 15.626 -1.839 -16.975 1.00 0.00 N ATOM 0 H ARG A 46 8.916 -0.817 -15.002 1.00 0.00 H new ATOM 0 HA ARG A 46 10.353 1.361 -16.067 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.605 -1.362 -17.212 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.694 -0.252 -18.019 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.240 -0.266 -16.114 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.101 -1.161 -15.128 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.530 -3.180 -16.201 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.816 -2.421 -17.755 1.00 0.00 H new ATOM 0 HE ARG A 46 13.819 -2.987 -15.692 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.936 -0.924 -18.430 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.610 -0.500 -18.802 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.953 -2.416 -16.200 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.297 -1.335 -17.554 1.00 0.00 H new ATOM 726 N MET A 47 7.424 0.733 -17.442 1.00 0.00 N ATOM 727 CA MET A 47 6.396 1.280 -18.335 1.00 0.00 C ATOM 728 C MET A 47 5.937 2.650 -17.827 1.00 0.00 C ATOM 729 O MET A 47 5.641 3.550 -18.614 1.00 0.00 O ATOM 730 CB MET A 47 5.184 0.344 -18.407 1.00 0.00 C ATOM 731 CG MET A 47 5.452 -0.772 -19.421 1.00 0.00 C ATOM 732 SD MET A 47 5.229 -0.132 -21.101 1.00 0.00 S ATOM 733 CE MET A 47 6.967 -0.195 -21.604 1.00 0.00 C ATOM 0 H MET A 47 7.128 -0.081 -16.903 1.00 0.00 H new ATOM 0 HA MET A 47 6.830 1.379 -19.330 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.985 -0.084 -17.425 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.296 0.905 -18.696 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.466 -1.154 -19.298 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.774 -1.607 -19.246 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.031 -0.471 -22.657 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.424 0.783 -21.457 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.493 -0.936 -21.002 1.00 0.00 H new ATOM 743 N LEU A 48 5.898 2.794 -16.495 1.00 0.00 N ATOM 744 CA LEU A 48 5.493 4.053 -15.866 1.00 0.00 C ATOM 745 C LEU A 48 6.578 5.119 -16.053 1.00 0.00 C ATOM 746 O LEU A 48 6.284 6.310 -16.170 1.00 0.00 O ATOM 747 CB LEU A 48 5.260 3.844 -14.364 1.00 0.00 C ATOM 748 CG LEU A 48 3.842 3.415 -13.958 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.433 2.157 -14.730 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.817 3.114 -12.456 1.00 0.00 C ATOM 0 H LEU A 48 6.142 2.055 -15.836 1.00 0.00 H new ATOM 0 HA LEU A 48 4.570 4.386 -16.340 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.962 3.090 -14.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.500 4.773 -13.846 1.00 0.00 H new ATOM 0 HG LEU A 48 3.145 4.220 -14.189 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.426 1.861 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.452 2.365 -15.800 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.130 1.349 -14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.812 2.809 -12.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.519 2.311 -12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.101 4.008 -11.901 1.00 0.00 H new ATOM 762 N GLY A 49 7.838 4.667 -16.083 1.00 0.00 N ATOM 763 CA GLY A 49 8.978 5.572 -16.260 1.00 0.00 C ATOM 764 C GLY A 49 10.006 5.431 -15.128 1.00 0.00 C ATOM 765 O GLY A 49 10.751 6.368 -14.842 1.00 0.00 O ATOM 0 H GLY A 49 8.092 3.684 -15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.460 5.365 -17.215 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.621 6.601 -16.299 1.00 0.00 H new ATOM 769 N GLN A 50 10.043 4.251 -14.491 1.00 0.00 N ATOM 770 CA GLN A 50 10.986 3.999 -13.396 1.00 0.00 C ATOM 771 C GLN A 50 11.632 2.625 -13.563 1.00 0.00 C ATOM 772 O GLN A 50 10.984 1.670 -13.986 1.00 0.00 O ATOM 773 CB GLN A 50 10.276 4.040 -12.032 1.00 0.00 C ATOM 774 CG GLN A 50 9.253 5.185 -11.989 1.00 0.00 C ATOM 775 CD GLN A 50 9.973 6.532 -11.909 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.995 6.662 -11.233 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.493 7.556 -12.564 1.00 0.00 N ATOM 0 H GLN A 50 9.435 3.463 -14.714 1.00 0.00 H new ATOM 0 HA GLN A 50 11.745 4.780 -13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.774 3.090 -11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.011 4.171 -11.237 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.623 5.153 -12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.596 5.064 -11.128 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.647 7.452 -13.125 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.964 8.459 -12.515 1.00 0.00 H new ATOM 786 N ASN A 51 12.914 2.532 -13.218 1.00 0.00 N ATOM 787 CA ASN A 51 13.637 1.263 -13.331 1.00 0.00 C ATOM 788 C ASN A 51 14.253 0.879 -11.977 1.00 0.00 C ATOM 789 O ASN A 51 15.450 1.066 -11.748 1.00 0.00 O ATOM 790 CB ASN A 51 14.742 1.354 -14.402 1.00 0.00 C ATOM 791 CG ASN A 51 15.533 2.656 -14.252 1.00 0.00 C ATOM 792 OD1 ASN A 51 16.600 2.675 -13.636 1.00 0.00 O ATOM 793 ND2 ASN A 51 15.072 3.756 -14.790 1.00 0.00 N ATOM 0 H ASN A 51 13.470 3.309 -12.862 1.00 0.00 H new ATOM 0 HA ASN A 51 12.926 0.494 -13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.415 0.501 -14.311 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.297 1.305 -15.396 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.596 4.627 -14.699 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.189 3.743 -15.300 1.00 0.00 H new ATOM 800 N PRO A 52 13.433 0.346 -11.059 1.00 0.00 N ATOM 801 CA PRO A 52 13.902 -0.054 -9.717 1.00 0.00 C ATOM 802 C PRO A 52 14.548 -1.446 -9.705 1.00 0.00 C ATOM 803 O PRO A 52 14.944 -1.971 -10.747 1.00 0.00 O ATOM 804 CB PRO A 52 12.607 -0.047 -8.912 1.00 0.00 C ATOM 805 CG PRO A 52 11.468 -0.252 -9.900 1.00 0.00 C ATOM 806 CD PRO A 52 11.994 0.110 -11.295 1.00 0.00 C ATOM 0 HA PRO A 52 14.679 0.604 -9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.615 -0.838 -8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 52 12.490 0.896 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.123 -1.286 -9.877 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.616 0.375 -9.637 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.830 -0.696 -12.010 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.500 0.996 -11.695 1.00 0.00 H new ATOM 814 N THR A 53 14.638 -2.031 -8.509 1.00 0.00 N ATOM 815 CA THR A 53 15.225 -3.366 -8.344 1.00 0.00 C ATOM 816 C THR A 53 14.122 -4.364 -7.969 1.00 0.00 C ATOM 817 O THR A 53 12.977 -3.965 -7.748 1.00 0.00 O ATOM 818 CB THR A 53 16.306 -3.340 -7.243 1.00 0.00 C ATOM 819 OG1 THR A 53 15.697 -3.496 -5.967 1.00 0.00 O ATOM 820 CG2 THR A 53 17.060 -2.010 -7.280 1.00 0.00 C ATOM 0 H THR A 53 14.313 -1.604 -7.641 1.00 0.00 H new ATOM 0 HA THR A 53 15.689 -3.672 -9.282 1.00 0.00 H new ATOM 0 HB THR A 53 17.005 -4.158 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.231 -3.029 -5.291 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.821 -2.001 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.537 -1.889 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.361 -1.191 -7.114 1.00 0.00 H new ATOM 828 N PRO A 54 14.440 -5.666 -7.874 1.00 0.00 N ATOM 829 CA PRO A 54 13.435 -6.681 -7.502 1.00 0.00 C ATOM 830 C PRO A 54 13.075 -6.622 -6.017 1.00 0.00 C ATOM 831 O PRO A 54 11.952 -6.953 -5.628 1.00 0.00 O ATOM 832 CB PRO A 54 14.125 -7.989 -7.872 1.00 0.00 C ATOM 833 CG PRO A 54 15.621 -7.712 -7.877 1.00 0.00 C ATOM 834 CD PRO A 54 15.799 -6.208 -8.111 1.00 0.00 C ATOM 0 HA PRO A 54 12.480 -6.541 -8.009 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.879 -8.772 -7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.793 -8.338 -8.850 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.071 -8.011 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.116 -8.285 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.529 -5.777 -7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.147 -5.996 -9.122 1.00 0.00 H new ATOM 842 N GLU A 55 14.028 -6.169 -5.196 1.00 0.00 N ATOM 843 CA GLU A 55 13.785 -6.040 -3.759 1.00 0.00 C ATOM 844 C GLU A 55 13.032 -4.736 -3.462 1.00 0.00 C ATOM 845 O GLU A 55 12.221 -4.677 -2.537 1.00 0.00 O ATOM 846 CB GLU A 55 15.100 -6.074 -2.964 1.00 0.00 C ATOM 847 CG GLU A 55 16.018 -4.922 -3.392 1.00 0.00 C ATOM 848 CD GLU A 55 17.176 -4.797 -2.408 1.00 0.00 C ATOM 849 OE1 GLU A 55 17.015 -4.096 -1.420 1.00 0.00 O ATOM 850 OE2 GLU A 55 18.207 -5.401 -2.654 1.00 0.00 O ATOM 0 H GLU A 55 14.961 -5.890 -5.498 1.00 0.00 H new ATOM 0 HA GLU A 55 13.176 -6.888 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.889 -6.001 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.604 -7.027 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.400 -5.102 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.455 -3.989 -3.427 1.00 0.00 H new ATOM 857 N GLU A 56 13.309 -3.694 -4.261 1.00 0.00 N ATOM 858 CA GLU A 56 12.654 -2.396 -4.077 1.00 0.00 C ATOM 859 C GLU A 56 11.218 -2.434 -4.599 1.00 0.00 C ATOM 860 O GLU A 56 10.293 -1.988 -3.917 1.00 0.00 O ATOM 861 CB GLU A 56 13.426 -1.295 -4.809 1.00 0.00 C ATOM 862 CG GLU A 56 14.506 -0.727 -3.882 1.00 0.00 C ATOM 863 CD GLU A 56 15.471 0.143 -4.686 1.00 0.00 C ATOM 864 OE1 GLU A 56 15.054 1.197 -5.139 1.00 0.00 O ATOM 865 OE2 GLU A 56 16.613 -0.256 -4.830 1.00 0.00 O ATOM 0 H GLU A 56 13.976 -3.726 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 56 12.641 -2.180 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.882 -1.696 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.745 -0.503 -5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.045 -0.138 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.049 -1.540 -3.400 1.00 0.00 H new ATOM 872 N LEU A 57 11.040 -2.969 -5.813 1.00 0.00 N ATOM 873 CA LEU A 57 9.707 -3.060 -6.410 1.00 0.00 C ATOM 874 C LEU A 57 8.770 -3.887 -5.524 1.00 0.00 C ATOM 875 O LEU A 57 7.581 -3.594 -5.429 1.00 0.00 O ATOM 876 CB LEU A 57 9.777 -3.683 -7.812 1.00 0.00 C ATOM 877 CG LEU A 57 10.045 -5.195 -7.867 1.00 0.00 C ATOM 878 CD1 LEU A 57 8.724 -5.963 -7.750 1.00 0.00 C ATOM 879 CD2 LEU A 57 10.713 -5.542 -9.201 1.00 0.00 C ATOM 0 H LEU A 57 11.793 -3.340 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 57 9.312 -2.048 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.836 -3.483 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.560 -3.175 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 57 10.699 -5.474 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.921 -7.034 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.243 -5.717 -6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.067 -5.684 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.905 -6.614 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.055 -5.258 -10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.655 -5.001 -9.288 1.00 0.00 H new ATOM 891 N GLN A 58 9.318 -4.919 -4.874 1.00 0.00 N ATOM 892 CA GLN A 58 8.511 -5.770 -3.996 1.00 0.00 C ATOM 893 C GLN A 58 8.121 -5.023 -2.715 1.00 0.00 C ATOM 894 O GLN A 58 7.045 -5.251 -2.161 1.00 0.00 O ATOM 895 CB GLN A 58 9.278 -7.044 -3.624 1.00 0.00 C ATOM 896 CG GLN A 58 8.317 -8.068 -3.010 1.00 0.00 C ATOM 897 CD GLN A 58 7.339 -8.569 -4.074 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.700 -9.388 -4.921 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.110 -8.123 -4.081 1.00 0.00 N ATOM 0 H GLN A 58 10.301 -5.182 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 58 7.606 -6.039 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.754 -7.464 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.073 -6.808 -2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.880 -8.906 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.768 -7.615 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.809 -7.445 -3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.452 -8.453 -4.787 1.00 0.00 H new ATOM 908 N GLU A 59 9.006 -4.129 -2.254 1.00 0.00 N ATOM 909 CA GLU A 59 8.744 -3.352 -1.036 1.00 0.00 C ATOM 910 C GLU A 59 7.550 -2.419 -1.232 1.00 0.00 C ATOM 911 O GLU A 59 6.644 -2.378 -0.398 1.00 0.00 O ATOM 912 CB GLU A 59 9.971 -2.514 -0.656 1.00 0.00 C ATOM 913 CG GLU A 59 10.976 -3.382 0.105 1.00 0.00 C ATOM 914 CD GLU A 59 12.291 -2.622 0.262 1.00 0.00 C ATOM 915 OE1 GLU A 59 13.120 -2.715 -0.631 1.00 0.00 O ATOM 916 OE2 GLU A 59 12.452 -1.958 1.272 1.00 0.00 O ATOM 0 H GLU A 59 9.900 -3.927 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 59 8.522 -4.059 -0.237 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.436 -2.105 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.668 -1.667 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.577 -3.645 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.145 -4.316 -0.431 1.00 0.00 H new ATOM 923 N MET A 60 7.555 -1.674 -2.342 1.00 0.00 N ATOM 924 CA MET A 60 6.459 -0.746 -2.634 1.00 0.00 C ATOM 925 C MET A 60 5.140 -1.505 -2.812 1.00 0.00 C ATOM 926 O MET A 60 4.069 -0.989 -2.489 1.00 0.00 O ATOM 927 CB MET A 60 6.751 0.084 -3.895 1.00 0.00 C ATOM 928 CG MET A 60 7.026 -0.840 -5.085 1.00 0.00 C ATOM 929 SD MET A 60 7.070 0.129 -6.612 1.00 0.00 S ATOM 930 CE MET A 60 6.748 -1.240 -7.749 1.00 0.00 C ATOM 0 H MET A 60 8.295 -1.694 -3.044 1.00 0.00 H new ATOM 0 HA MET A 60 6.370 -0.068 -1.785 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.903 0.732 -4.117 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.611 0.732 -3.722 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.975 -1.358 -4.944 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.252 -1.605 -5.150 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.637 -1.431 -8.349 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.496 -2.134 -7.179 1.00 0.00 H new ATOM 0 HE3 MET A 60 5.917 -0.981 -8.405 1.00 0.00 H new ATOM 940 N ILE A 61 5.233 -2.742 -3.314 1.00 0.00 N ATOM 941 CA ILE A 61 4.042 -3.571 -3.515 1.00 0.00 C ATOM 942 C ILE A 61 3.517 -4.065 -2.169 1.00 0.00 C ATOM 943 O ILE A 61 2.326 -3.973 -1.890 1.00 0.00 O ATOM 944 CB ILE A 61 4.357 -4.779 -4.406 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.753 -4.294 -5.802 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.120 -5.680 -4.516 1.00 0.00 C ATOM 947 CD1 ILE A 61 5.533 -5.396 -6.519 1.00 0.00 C ATOM 0 H ILE A 61 6.110 -3.186 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 61 3.285 -2.959 -4.006 1.00 0.00 H new ATOM 0 HB ILE A 61 5.179 -5.344 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.863 -4.032 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.361 -3.392 -5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.349 -6.537 -5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.835 -6.029 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.296 -5.115 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.816 -5.053 -7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.430 -5.636 -5.949 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.909 -6.286 -6.606 1.00 0.00 H new ATOM 959 N ASP A 62 4.423 -4.586 -1.338 1.00 0.00 N ATOM 960 CA ASP A 62 4.042 -5.091 -0.015 1.00 0.00 C ATOM 961 C ASP A 62 3.279 -4.025 0.781 1.00 0.00 C ATOM 962 O ASP A 62 2.382 -4.346 1.563 1.00 0.00 O ATOM 963 CB ASP A 62 5.287 -5.512 0.776 1.00 0.00 C ATOM 964 CG ASP A 62 4.970 -6.739 1.625 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.482 -6.560 2.729 1.00 0.00 O ATOM 966 OD2 ASP A 62 5.224 -7.839 1.161 1.00 0.00 O ATOM 0 H ASP A 62 5.416 -4.669 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 62 3.394 -5.955 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.106 -5.734 0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.618 -4.693 1.414 1.00 0.00 H new ATOM 971 N GLU A 63 3.647 -2.754 0.575 1.00 0.00 N ATOM 972 CA GLU A 63 2.992 -1.647 1.282 1.00 0.00 C ATOM 973 C GLU A 63 1.627 -1.314 0.665 1.00 0.00 C ATOM 974 O GLU A 63 0.640 -1.146 1.386 1.00 0.00 O ATOM 975 CB GLU A 63 3.867 -0.387 1.245 1.00 0.00 C ATOM 976 CG GLU A 63 5.207 -0.662 1.937 1.00 0.00 C ATOM 977 CD GLU A 63 5.046 -0.514 3.448 1.00 0.00 C ATOM 978 OE1 GLU A 63 5.200 0.593 3.937 1.00 0.00 O ATOM 979 OE2 GLU A 63 4.775 -1.513 4.095 1.00 0.00 O ATOM 0 H GLU A 63 4.386 -2.469 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 63 2.848 -1.969 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.037 -0.082 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.354 0.437 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.553 -1.667 1.695 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.965 0.032 1.573 1.00 0.00 H new ATOM 986 N VAL A 64 1.581 -1.200 -0.668 1.00 0.00 N ATOM 987 CA VAL A 64 0.329 -0.861 -1.365 1.00 0.00 C ATOM 988 C VAL A 64 -0.671 -2.023 -1.344 1.00 0.00 C ATOM 989 O VAL A 64 -1.881 -1.804 -1.244 1.00 0.00 O ATOM 990 CB VAL A 64 0.608 -0.458 -2.825 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.183 -1.647 -3.600 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.694 -0.003 -3.492 1.00 0.00 C ATOM 0 H VAL A 64 2.384 -1.335 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.111 -0.019 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 64 1.330 0.358 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.376 -1.350 -4.631 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.115 -1.969 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.468 -2.470 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.494 0.282 -4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.416 -0.819 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.100 0.853 -2.952 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.163 -3.255 -1.452 1.00 0.00 N ATOM 1003 CA ASP A 65 -1.029 -4.431 -1.460 1.00 0.00 C ATOM 1004 C ASP A 65 -1.585 -4.687 -0.059 1.00 0.00 C ATOM 1005 O ASP A 65 -0.899 -5.224 0.813 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.259 -5.665 -1.944 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.041 -6.346 -3.066 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -0.933 -5.892 -4.196 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -1.735 -7.307 -2.782 1.00 0.00 O ATOM 0 H ASP A 65 0.833 -3.459 -1.534 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.856 -4.242 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.729 -5.374 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.108 -6.360 -1.118 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.842 -4.279 0.141 1.00 0.00 N ATOM 1015 CA GLU A 66 -3.511 -4.444 1.438 1.00 0.00 C ATOM 1016 C GLU A 66 -3.654 -5.923 1.809 1.00 0.00 C ATOM 1017 O GLU A 66 -3.507 -6.299 2.973 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.905 -3.798 1.416 1.00 0.00 C ATOM 1019 CG GLU A 66 -5.769 -4.429 0.312 1.00 0.00 C ATOM 1020 CD GLU A 66 -6.877 -3.461 -0.092 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -7.934 -3.511 0.516 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -6.651 -2.684 -1.008 1.00 0.00 O ATOM 0 H GLU A 66 -3.416 -3.834 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.889 -3.950 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.389 -3.928 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.813 -2.725 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.151 -4.671 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.202 -5.365 0.666 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.950 -6.751 0.806 1.00 0.00 N ATOM 1030 CA ASP A 67 -4.122 -8.187 1.029 1.00 0.00 C ATOM 1031 C ASP A 67 -2.788 -8.931 0.907 1.00 0.00 C ATOM 1032 O ASP A 67 -2.539 -9.893 1.636 1.00 0.00 O ATOM 1033 CB ASP A 67 -5.134 -8.779 0.031 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.855 -8.271 -1.384 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -5.404 -7.243 -1.746 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -4.097 -8.915 -2.083 1.00 0.00 O ATOM 0 H ASP A 67 -4.075 -6.455 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.503 -8.315 2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.078 -9.867 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.147 -8.507 0.328 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.939 -8.483 -0.022 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.641 -9.121 -0.233 1.00 0.00 C ATOM 1043 C GLY A 68 -0.826 -10.491 -0.878 1.00 0.00 C ATOM 1044 O GLY A 68 -0.269 -11.490 -0.417 1.00 0.00 O ATOM 0 H GLY A 68 -2.126 -7.689 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.018 -8.493 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.120 -9.226 0.719 1.00 0.00 H new ATOM 1048 N SER A 69 -1.626 -10.525 -1.948 1.00 0.00 N ATOM 1049 CA SER A 69 -1.899 -11.777 -2.657 1.00 0.00 C ATOM 1050 C SER A 69 -0.875 -12.040 -3.773 1.00 0.00 C ATOM 1051 O SER A 69 -1.008 -13.009 -4.525 1.00 0.00 O ATOM 1052 CB SER A 69 -3.304 -11.744 -3.274 1.00 0.00 C ATOM 1053 OG SER A 69 -3.414 -10.623 -4.147 1.00 0.00 O ATOM 0 H SER A 69 -2.092 -9.706 -2.339 1.00 0.00 H new ATOM 0 HA SER A 69 -1.827 -12.580 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.493 -12.666 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.057 -11.681 -2.488 1.00 0.00 H new ATOM 0 HG SER A 69 -3.650 -9.826 -3.628 1.00 0.00 H new ATOM 1059 N GLY A 70 0.135 -11.168 -3.889 1.00 0.00 N ATOM 1060 CA GLY A 70 1.150 -11.322 -4.930 1.00 0.00 C ATOM 1061 C GLY A 70 0.617 -10.844 -6.282 1.00 0.00 C ATOM 1062 O GLY A 70 1.152 -11.205 -7.334 1.00 0.00 O ATOM 0 H GLY A 70 0.268 -10.359 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.041 -10.753 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.449 -12.368 -5.001 1.00 0.00 H new ATOM 1066 N THR A 71 -0.445 -10.025 -6.243 1.00 0.00 N ATOM 1067 CA THR A 71 -1.049 -9.496 -7.465 1.00 0.00 C ATOM 1068 C THR A 71 -1.589 -8.089 -7.217 1.00 0.00 C ATOM 1069 O THR A 71 -2.162 -7.808 -6.161 1.00 0.00 O ATOM 1070 CB THR A 71 -2.198 -10.397 -7.948 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.302 -10.287 -7.057 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.732 -11.854 -7.999 1.00 0.00 C ATOM 0 H THR A 71 -0.898 -9.719 -5.382 1.00 0.00 H new ATOM 0 HA THR A 71 -0.277 -9.466 -8.233 1.00 0.00 H new ATOM 0 HB THR A 71 -2.501 -10.079 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.001 -10.461 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.551 -12.486 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.892 -11.943 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.421 -12.172 -7.004 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.398 -7.208 -8.200 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.868 -5.829 -8.076 1.00 0.00 C ATOM 1082 C VAL A 72 -3.144 -5.621 -8.882 1.00 0.00 C ATOM 1083 O VAL A 72 -3.149 -5.736 -10.110 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.816 -4.833 -8.577 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.172 -3.425 -8.092 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.567 -5.214 -8.041 1.00 0.00 C ATOM 0 H VAL A 72 -0.927 -7.421 -9.080 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.059 -5.653 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.799 -4.856 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.424 -2.717 -8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.151 -3.144 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.195 -3.410 -7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.307 -4.500 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.552 -5.200 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.828 -6.214 -8.387 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.217 -5.274 -8.178 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.494 -5.007 -8.831 1.00 0.00 C ATOM 1098 C ASP A 73 -5.496 -3.560 -9.311 1.00 0.00 C ATOM 1099 O ASP A 73 -4.598 -2.794 -8.966 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.660 -5.232 -7.863 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.839 -6.729 -7.620 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -6.195 -7.245 -6.720 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -7.611 -7.337 -8.342 1.00 0.00 O ATOM 0 H ASP A 73 -4.229 -5.172 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.618 -5.689 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.468 -4.720 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.576 -4.808 -8.275 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.489 -3.182 -10.115 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.542 -1.807 -10.620 1.00 0.00 C ATOM 1110 C PHE A 74 -6.625 -0.798 -9.469 1.00 0.00 C ATOM 1111 O PHE A 74 -6.073 0.301 -9.560 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.724 -1.602 -11.568 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.445 -0.414 -12.455 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.212 -0.314 -13.106 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.412 0.581 -12.624 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.945 0.784 -13.929 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.145 1.682 -13.448 1.00 0.00 C ATOM 1118 CZ PHE A 74 -6.911 1.783 -14.099 1.00 0.00 C ATOM 0 H PHE A 74 -7.249 -3.788 -10.425 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.619 -1.637 -11.175 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.880 -2.495 -12.173 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.639 -1.439 -10.998 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.467 -1.084 -12.973 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.364 0.501 -12.120 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.993 0.862 -14.434 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.891 2.452 -13.580 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.703 2.632 -14.733 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.294 -1.187 -8.378 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.410 -0.310 -7.210 1.00 0.00 C ATOM 1130 C ASP A 75 -6.036 -0.127 -6.560 1.00 0.00 C ATOM 1131 O ASP A 75 -5.657 0.983 -6.181 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.378 -0.903 -6.179 1.00 0.00 C ATOM 1133 CG ASP A 75 -8.943 0.216 -5.305 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -9.971 0.764 -5.670 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -8.341 0.507 -4.284 1.00 0.00 O ATOM 0 H ASP A 75 -7.757 -2.091 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.795 0.654 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -9.188 -1.427 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.862 -1.637 -5.560 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.290 -1.234 -6.458 1.00 0.00 N ATOM 1141 CA GLU A 76 -3.943 -1.209 -5.874 1.00 0.00 C ATOM 1142 C GLU A 76 -2.945 -0.581 -6.858 1.00 0.00 C ATOM 1143 O GLU A 76 -1.941 0.009 -6.452 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.475 -2.633 -5.533 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.497 -3.317 -4.611 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.061 -4.755 -4.312 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.973 -5.537 -5.245 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.830 -5.055 -3.153 1.00 0.00 O ATOM 0 H GLU A 76 -5.595 -2.156 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.984 -0.613 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.353 -3.213 -6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.501 -2.597 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.590 -2.757 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.480 -3.318 -5.083 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.237 -0.722 -8.157 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.379 -0.183 -9.214 1.00 0.00 C ATOM 1157 C PHE A 77 -2.375 1.347 -9.186 1.00 0.00 C ATOM 1158 O PHE A 77 -1.316 1.977 -9.195 1.00 0.00 O ATOM 1159 CB PHE A 77 -2.895 -0.657 -10.581 1.00 0.00 C ATOM 1160 CG PHE A 77 -1.770 -0.891 -11.567 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.436 -1.053 -11.149 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.085 -0.953 -12.927 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.567 -1.271 -12.101 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.082 -1.172 -13.870 1.00 0.00 C ATOM 1165 CZ PHE A 77 0.240 -1.330 -13.461 1.00 0.00 C ATOM 0 H PHE A 77 -4.066 -1.208 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.363 -0.540 -9.048 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.462 -1.579 -10.454 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.582 0.086 -10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.187 -1.009 -10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.109 -0.831 -13.249 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.593 -1.394 -11.786 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.331 -1.219 -14.920 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.015 -1.498 -14.195 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.577 1.929 -9.157 1.00 0.00 N ATOM 1176 CA LEU A 78 -3.724 3.389 -9.135 1.00 0.00 C ATOM 1177 C LEU A 78 -3.301 3.968 -7.783 1.00 0.00 C ATOM 1178 O LEU A 78 -2.791 5.086 -7.713 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.177 3.783 -9.415 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.548 3.926 -10.898 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -4.910 2.798 -11.714 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.068 3.856 -11.044 1.00 0.00 C ATOM 0 H LEU A 78 -4.459 1.416 -9.148 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.076 3.796 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.831 3.036 -8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.382 4.729 -8.914 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.180 4.883 -11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.181 2.910 -12.764 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.826 2.843 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.269 1.836 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.338 3.957 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.426 2.897 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.526 4.664 -10.473 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.509 3.193 -6.713 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.132 3.638 -5.369 1.00 0.00 C ATOM 1196 C VAL A 79 -1.621 3.893 -5.314 1.00 0.00 C ATOM 1197 O VAL A 79 -1.172 4.914 -4.800 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.537 2.578 -4.329 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.555 2.575 -3.156 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -4.944 2.888 -3.810 1.00 0.00 C ATOM 0 H VAL A 79 -3.931 2.265 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.654 4.566 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.522 1.597 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.857 1.820 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.553 2.348 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.554 3.555 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.233 2.139 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.952 3.875 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.650 2.872 -4.640 1.00 0.00 H new ATOM 1210 N MET A 80 -0.849 2.945 -5.858 1.00 0.00 N ATOM 1211 CA MET A 80 0.616 3.057 -5.888 1.00 0.00 C ATOM 1212 C MET A 80 1.070 4.438 -6.392 1.00 0.00 C ATOM 1213 O MET A 80 2.127 4.931 -5.994 1.00 0.00 O ATOM 1214 CB MET A 80 1.212 1.981 -6.802 1.00 0.00 C ATOM 1215 CG MET A 80 2.332 1.238 -6.069 1.00 0.00 C ATOM 1216 SD MET A 80 3.305 0.285 -7.262 1.00 0.00 S ATOM 1217 CE MET A 80 2.075 -1.003 -7.591 1.00 0.00 C ATOM 0 H MET A 80 -1.213 2.092 -6.283 1.00 0.00 H new ATOM 0 HA MET A 80 0.970 2.922 -4.866 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.436 1.279 -7.106 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.602 2.439 -7.711 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.972 1.948 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.910 0.574 -5.315 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.521 -1.983 -7.424 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.224 -0.873 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.738 -0.929 -8.625 1.00 0.00 H new ATOM 1227 N MET A 81 0.259 5.059 -7.266 1.00 0.00 N ATOM 1228 CA MET A 81 0.595 6.383 -7.804 1.00 0.00 C ATOM 1229 C MET A 81 0.661 7.407 -6.671 1.00 0.00 C ATOM 1230 O MET A 81 1.687 8.063 -6.471 1.00 0.00 O ATOM 1231 CB MET A 81 -0.451 6.833 -8.836 1.00 0.00 C ATOM 1232 CG MET A 81 -0.099 8.229 -9.364 1.00 0.00 C ATOM 1233 SD MET A 81 -0.027 8.197 -11.174 1.00 0.00 S ATOM 1234 CE MET A 81 1.555 7.333 -11.327 1.00 0.00 C ATOM 0 H MET A 81 -0.620 4.671 -7.609 1.00 0.00 H new ATOM 0 HA MET A 81 1.567 6.315 -8.293 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.489 6.122 -9.661 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.441 6.846 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.844 8.952 -9.033 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.860 8.551 -8.958 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.642 6.908 -12.327 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.371 8.036 -11.159 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.606 6.534 -10.588 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.441 7.525 -5.925 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.499 8.461 -4.798 1.00 0.00 C ATOM 1246 C VAL A 82 0.437 8.005 -3.673 1.00 0.00 C ATOM 1247 O VAL A 82 0.968 8.826 -2.927 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.931 8.590 -4.255 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.814 9.278 -5.301 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.509 7.205 -3.940 1.00 0.00 C ATOM 0 H VAL A 82 -1.296 6.991 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.177 9.436 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.907 9.182 -3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.830 9.370 -4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.417 10.270 -5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.825 8.685 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.524 7.313 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.527 6.603 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.888 6.713 -3.191 1.00 0.00 H new ATOM 1260 N ARG A 83 0.644 6.685 -3.572 1.00 0.00 N ATOM 1261 CA ARG A 83 1.534 6.122 -2.549 1.00 0.00 C ATOM 1262 C ARG A 83 2.965 6.649 -2.713 1.00 0.00 C ATOM 1263 O ARG A 83 3.742 6.658 -1.759 1.00 0.00 O ATOM 1264 CB ARG A 83 1.568 4.593 -2.646 1.00 0.00 C ATOM 1265 CG ARG A 83 0.279 4.006 -2.063 1.00 0.00 C ATOM 1266 CD ARG A 83 0.603 2.738 -1.270 1.00 0.00 C ATOM 1267 NE ARG A 83 0.060 2.821 0.088 1.00 0.00 N ATOM 1268 CZ ARG A 83 0.703 3.464 1.075 1.00 0.00 C ATOM 1269 NH1 ARG A 83 1.857 4.054 0.856 1.00 0.00 N ATOM 1270 NH2 ARG A 83 0.176 3.506 2.271 1.00 0.00 N ATOM 0 H ARG A 83 0.210 5.992 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 83 1.143 6.425 -1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.679 4.288 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.432 4.205 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.205 4.738 -1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.423 3.776 -2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.188 1.869 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.683 2.597 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.835 2.376 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.275 4.027 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.334 4.539 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.719 3.051 2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.660 3.993 3.025 1.00 0.00 H new