USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 51 TYR OH : rot 180:sc= 0.0821 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -158:sc= 0.55 (180deg=0.259) USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -2.05 USER MOD Set 2.2: A 38 MET CE :methyl -139:sc= -2.58 (180deg=-0.0687) USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= -2.83 (180deg=-7.12!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.396 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.372 K(o=-0.37,f=-2.2!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 76:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 136:sc= 1.24 (180deg=0.36) USER MOD Single : A 60 ASN : amide:sc= -0.338 K(o=-0.34,f=-4.7!) USER MOD Single : A 61 TYR OH : rot 165:sc= -2.34! USER MOD Single : A 64 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.1) USER MOD Single : A 66 HIS : no HD1:sc= 0.83 K(o=0.83,f=-3.6!) USER MOD Single : A 70 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-6.5!) USER MOD Single : A 83 CYS SG : rot 19:sc= -0.423 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PHE A 18 -8.111 8.935 3.912 1.00 0.00 N ATOM 28 CA PHE A 18 -7.199 8.809 2.780 1.00 0.00 C ATOM 29 C PHE A 18 -7.253 7.403 2.193 1.00 0.00 C ATOM 30 O PHE A 18 -7.792 6.481 2.805 1.00 0.00 O ATOM 31 CB PHE A 18 -5.770 9.134 3.215 1.00 0.00 C ATOM 32 CG PHE A 18 -5.015 9.965 2.218 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.060 11.348 2.277 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.263 9.361 1.225 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.368 12.115 1.361 1.00 0.00 C ATOM 36 CE2 PHE A 18 -3.568 10.122 0.306 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.620 11.502 0.374 1.00 0.00 C ATOM 0 HA PHE A 18 -7.511 9.517 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.800 9.662 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.229 8.203 3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.642 11.831 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.219 8.283 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.411 13.193 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.985 9.640 -0.465 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.077 12.100 -0.343 1.00 0.00 H new ATOM 47 N LYS A 19 -6.686 7.245 1.000 1.00 0.00 N ATOM 48 CA LYS A 19 -6.666 5.949 0.332 1.00 0.00 C ATOM 49 C LYS A 19 -5.694 5.956 -0.845 1.00 0.00 C ATOM 50 O LYS A 19 -5.841 6.743 -1.781 1.00 0.00 O ATOM 51 CB LYS A 19 -8.072 5.582 -0.153 1.00 0.00 C ATOM 52 CG LYS A 19 -8.577 4.258 0.398 1.00 0.00 C ATOM 53 CD LYS A 19 -8.331 3.118 -0.578 1.00 0.00 C ATOM 54 CE LYS A 19 -8.846 1.796 -0.030 1.00 0.00 C ATOM 55 NZ LYS A 19 -8.107 1.369 1.190 1.00 0.00 N ATOM 0 H LYS A 19 -6.236 7.997 0.478 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.329 5.202 1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.765 6.373 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.072 5.537 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.079 4.043 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.644 4.334 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.822 3.337 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.264 3.037 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.907 1.889 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.755 1.026 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.740 0.405 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.314 2.020 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.750 1.383 2.008 1.00 0.00 H new ATOM 69 N VAL A 20 -4.704 5.074 -0.791 1.00 0.00 N ATOM 70 CA VAL A 20 -3.711 4.975 -1.855 1.00 0.00 C ATOM 71 C VAL A 20 -3.374 3.519 -2.154 1.00 0.00 C ATOM 72 O VAL A 20 -3.309 2.687 -1.249 1.00 0.00 O ATOM 73 CB VAL A 20 -2.416 5.725 -1.492 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.609 7.227 -1.640 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.972 5.375 -0.080 1.00 0.00 C ATOM 0 H VAL A 20 -4.567 4.417 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.150 5.436 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.633 5.412 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.683 7.740 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.875 7.460 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.407 7.558 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.055 5.915 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.752 5.656 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.789 4.303 -0.011 1.00 0.00 H new ATOM 85 N THR A 21 -3.160 3.217 -3.430 1.00 0.00 N ATOM 86 CA THR A 21 -2.831 1.861 -3.850 1.00 0.00 C ATOM 87 C THR A 21 -1.335 1.722 -4.110 1.00 0.00 C ATOM 88 O THR A 21 -0.784 2.376 -4.995 1.00 0.00 O ATOM 89 CB THR A 21 -3.615 1.489 -5.109 1.00 0.00 C ATOM 90 OG1 THR A 21 -4.996 1.747 -4.934 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.465 0.034 -5.499 1.00 0.00 C ATOM 0 H THR A 21 -3.209 3.894 -4.191 1.00 0.00 H new ATOM 0 HA THR A 21 -3.108 1.181 -3.045 1.00 0.00 H new ATOM 0 HB THR A 21 -3.196 2.106 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.480 1.504 -5.751 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.046 -0.163 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.414 -0.185 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.826 -0.599 -4.688 1.00 0.00 H new ATOM 99 N VAL A 22 -0.683 0.863 -3.332 1.00 0.00 N ATOM 100 CA VAL A 22 0.750 0.637 -3.479 1.00 0.00 C ATOM 101 C VAL A 22 1.022 -0.628 -4.284 1.00 0.00 C ATOM 102 O VAL A 22 0.869 -1.740 -3.781 1.00 0.00 O ATOM 103 CB VAL A 22 1.444 0.521 -2.109 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.956 0.514 -2.276 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.007 1.651 -1.189 1.00 0.00 C ATOM 0 H VAL A 22 -1.124 0.313 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 22 1.156 1.498 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 22 1.147 -0.423 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.430 0.431 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.250 -0.334 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.273 1.440 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.508 1.551 -0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.271 2.608 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.072 1.604 -1.043 1.00 0.00 H new ATOM 115 N CYS A 23 1.426 -0.450 -5.537 1.00 0.00 N ATOM 116 CA CYS A 23 1.719 -1.580 -6.410 1.00 0.00 C ATOM 117 C CYS A 23 3.119 -2.124 -6.145 1.00 0.00 C ATOM 118 O CYS A 23 4.111 -1.561 -6.603 1.00 0.00 O ATOM 119 CB CYS A 23 1.591 -1.164 -7.876 1.00 0.00 C ATOM 120 SG CYS A 23 1.396 -2.548 -9.022 1.00 0.00 S ATOM 0 H CYS A 23 1.558 0.464 -5.970 1.00 0.00 H new ATOM 0 HA CYS A 23 0.996 -2.368 -6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.735 -0.497 -7.980 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.476 -0.594 -8.159 1.00 0.00 H new ATOM 0 HG CYS A 23 1.294 -2.095 -10.236 1.00 0.00 H new ATOM 126 N PHE A 24 3.190 -3.226 -5.409 1.00 0.00 N ATOM 127 CA PHE A 24 4.471 -3.846 -5.088 1.00 0.00 C ATOM 128 C PHE A 24 4.863 -4.855 -6.159 1.00 0.00 C ATOM 129 O PHE A 24 4.337 -5.966 -6.201 1.00 0.00 O ATOM 130 CB PHE A 24 4.406 -4.532 -3.723 1.00 0.00 C ATOM 131 CG PHE A 24 4.435 -3.571 -2.569 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.540 -2.764 -2.352 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.359 -3.477 -1.704 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.569 -1.877 -1.292 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.382 -2.594 -0.642 1.00 0.00 C ATOM 136 CZ PHE A 24 4.489 -1.793 -0.436 1.00 0.00 C ATOM 0 H PHE A 24 2.378 -3.708 -5.024 1.00 0.00 H new ATOM 0 HA PHE A 24 5.228 -3.063 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.495 -5.127 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.244 -5.223 -3.632 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.388 -2.829 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.492 -4.101 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.435 -1.251 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.536 -2.530 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.509 -1.102 0.394 1.00 0.00 H new ATOM 146 N GLY A 25 5.794 -4.462 -7.024 1.00 0.00 N ATOM 147 CA GLY A 25 6.244 -5.345 -8.086 1.00 0.00 C ATOM 148 C GLY A 25 5.095 -5.961 -8.863 1.00 0.00 C ATOM 149 O GLY A 25 4.591 -5.364 -9.815 1.00 0.00 O ATOM 0 H GLY A 25 6.245 -3.547 -7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.882 -4.787 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.855 -6.140 -7.658 1.00 0.00 H new ATOM 153 N ARG A 26 4.677 -7.154 -8.452 1.00 0.00 N ATOM 154 CA ARG A 26 3.579 -7.851 -9.114 1.00 0.00 C ATOM 155 C ARG A 26 2.423 -8.087 -8.146 1.00 0.00 C ATOM 156 O ARG A 26 1.694 -9.072 -8.262 1.00 0.00 O ATOM 157 CB ARG A 26 4.061 -9.184 -9.686 1.00 0.00 C ATOM 158 CG ARG A 26 5.267 -9.052 -10.602 1.00 0.00 C ATOM 159 CD ARG A 26 6.459 -9.838 -10.078 1.00 0.00 C ATOM 160 NE ARG A 26 7.148 -9.132 -9.000 1.00 0.00 N ATOM 161 CZ ARG A 26 8.088 -9.683 -8.236 1.00 0.00 C ATOM 162 NH1 ARG A 26 8.454 -10.946 -8.427 1.00 0.00 N ATOM 163 NH2 ARG A 26 8.666 -8.971 -7.279 1.00 0.00 N ATOM 0 H ARG A 26 5.082 -7.659 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 26 3.224 -7.223 -9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.312 -9.854 -8.863 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.245 -9.649 -10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.007 -9.407 -11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.538 -8.001 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.122 -10.810 -9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.157 -10.025 -10.894 1.00 0.00 H new ATOM 0 HE ARG A 26 6.894 -8.160 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.014 -11.499 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.175 -11.363 -7.838 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.390 -8.001 -7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.386 -9.393 -6.693 1.00 0.00 H new ATOM 177 N THR A 27 2.263 -7.176 -7.191 1.00 0.00 N ATOM 178 CA THR A 27 1.196 -7.279 -6.200 1.00 0.00 C ATOM 179 C THR A 27 0.864 -5.909 -5.621 1.00 0.00 C ATOM 180 O THR A 27 1.692 -5.292 -4.949 1.00 0.00 O ATOM 181 CB THR A 27 1.604 -8.235 -5.079 1.00 0.00 C ATOM 182 OG1 THR A 27 2.075 -9.462 -5.609 1.00 0.00 O ATOM 183 CG2 THR A 27 0.474 -8.552 -4.122 1.00 0.00 C ATOM 0 H THR A 27 2.860 -6.356 -7.082 1.00 0.00 H new ATOM 0 HA THR A 27 0.307 -7.671 -6.695 1.00 0.00 H new ATOM 0 HB THR A 27 2.390 -7.716 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.332 -10.058 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.831 -9.235 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.122 -7.631 -3.656 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.346 -9.018 -4.669 1.00 0.00 H new ATOM 191 N ARG A 28 -0.347 -5.435 -5.889 1.00 0.00 N ATOM 192 CA ARG A 28 -0.782 -4.133 -5.395 1.00 0.00 C ATOM 193 C ARG A 28 -1.758 -4.279 -4.233 1.00 0.00 C ATOM 194 O ARG A 28 -2.478 -5.273 -4.133 1.00 0.00 O ATOM 195 CB ARG A 28 -1.430 -3.325 -6.523 1.00 0.00 C ATOM 196 CG ARG A 28 -2.664 -3.985 -7.119 1.00 0.00 C ATOM 197 CD ARG A 28 -3.932 -3.550 -6.404 1.00 0.00 C ATOM 198 NE ARG A 28 -5.134 -3.972 -7.119 1.00 0.00 N ATOM 199 CZ ARG A 28 -6.362 -3.555 -6.817 1.00 0.00 C ATOM 200 NH1 ARG A 28 -6.556 -2.705 -5.817 1.00 0.00 N ATOM 201 NH2 ARG A 28 -7.400 -3.990 -7.520 1.00 0.00 N ATOM 0 H ARG A 28 -1.044 -5.931 -6.444 1.00 0.00 H new ATOM 0 HA ARG A 28 0.099 -3.603 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.704 -2.341 -6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.696 -3.168 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.737 -3.732 -8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.564 -5.069 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.943 -3.969 -5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.935 -2.465 -6.298 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.026 -4.625 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.762 -2.367 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.499 -2.390 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.257 -4.643 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.341 -3.672 -7.290 1.00 0.00 H new ATOM 215 N VAL A 29 -1.773 -3.280 -3.356 1.00 0.00 N ATOM 216 CA VAL A 29 -2.657 -3.289 -2.197 1.00 0.00 C ATOM 217 C VAL A 29 -3.116 -1.878 -1.846 1.00 0.00 C ATOM 218 O VAL A 29 -2.370 -0.913 -2.011 1.00 0.00 O ATOM 219 CB VAL A 29 -1.965 -3.909 -0.969 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.837 -5.416 -1.130 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.602 -3.273 -0.740 1.00 0.00 C ATOM 0 H VAL A 29 -1.181 -2.452 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.523 -3.896 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.583 -3.711 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.346 -5.835 -0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.829 -5.856 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.245 -5.638 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.131 -3.726 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.026 -3.434 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.723 -2.203 -0.572 1.00 0.00 H new ATOM 231 N ASP A 30 -4.348 -1.767 -1.361 1.00 0.00 N ATOM 232 CA ASP A 30 -4.906 -0.472 -0.987 1.00 0.00 C ATOM 233 C ASP A 30 -4.559 -0.131 0.459 1.00 0.00 C ATOM 234 O ASP A 30 -4.560 -1.000 1.329 1.00 0.00 O ATOM 235 CB ASP A 30 -6.424 -0.475 -1.173 1.00 0.00 C ATOM 236 CG ASP A 30 -7.107 -1.542 -0.344 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.592 -2.678 -0.297 1.00 0.00 O ATOM 238 OD2 ASP A 30 -8.159 -1.244 0.259 1.00 0.00 O ATOM 0 H ASP A 30 -4.978 -2.556 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.470 0.287 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.822 0.502 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.658 -0.632 -2.226 1.00 0.00 H new ATOM 243 N VAL A 31 -4.263 1.141 0.706 1.00 0.00 N ATOM 244 CA VAL A 31 -3.912 1.596 2.046 1.00 0.00 C ATOM 245 C VAL A 31 -4.739 2.816 2.450 1.00 0.00 C ATOM 246 O VAL A 31 -4.387 3.950 2.119 1.00 0.00 O ATOM 247 CB VAL A 31 -2.417 1.951 2.147 1.00 0.00 C ATOM 248 CG1 VAL A 31 -2.029 2.229 3.590 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.563 0.835 1.563 1.00 0.00 C ATOM 0 H VAL A 31 -4.259 1.874 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.130 0.771 2.724 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.238 2.856 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.969 2.478 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.616 3.065 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.223 1.344 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.510 1.103 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.745 -0.088 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.822 0.690 0.514 1.00 0.00 H new ATOM 259 N PRO A 32 -5.853 2.601 3.170 1.00 0.00 N ATOM 260 CA PRO A 32 -6.725 3.685 3.617 1.00 0.00 C ATOM 261 C PRO A 32 -6.223 4.343 4.898 1.00 0.00 C ATOM 262 O PRO A 32 -6.157 3.706 5.949 1.00 0.00 O ATOM 263 CB PRO A 32 -8.048 2.968 3.867 1.00 0.00 C ATOM 264 CG PRO A 32 -7.652 1.599 4.306 1.00 0.00 C ATOM 265 CD PRO A 32 -6.353 1.282 3.607 1.00 0.00 C ATOM 0 HA PRO A 32 -6.786 4.496 2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.637 3.475 4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.658 2.935 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.529 1.559 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.420 0.871 4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.648 0.790 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.508 0.613 2.760 1.00 0.00 H new ATOM 273 N CYS A 33 -5.870 5.621 4.805 1.00 0.00 N ATOM 274 CA CYS A 33 -5.375 6.363 5.958 1.00 0.00 C ATOM 275 C CYS A 33 -6.520 7.044 6.700 1.00 0.00 C ATOM 276 O CYS A 33 -7.590 7.272 6.136 1.00 0.00 O ATOM 277 CB CYS A 33 -4.345 7.405 5.519 1.00 0.00 C ATOM 278 SG CYS A 33 -2.984 7.636 6.687 1.00 0.00 S ATOM 0 H CYS A 33 -5.918 6.164 3.943 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.898 5.655 6.635 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.935 7.110 4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.850 8.360 5.373 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.165 8.534 6.227 1.00 0.00 H new ATOM 284 N GLY A 34 -6.289 7.363 7.969 1.00 0.00 N ATOM 285 CA GLY A 34 -7.310 8.013 8.769 1.00 0.00 C ATOM 286 C GLY A 34 -7.517 9.464 8.384 1.00 0.00 C ATOM 287 O GLY A 34 -8.596 9.845 7.928 1.00 0.00 O ATOM 0 H GLY A 34 -5.412 7.183 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.251 7.474 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.032 7.956 9.821 1.00 0.00 H new ATOM 291 N ASP A 35 -6.482 10.278 8.568 1.00 0.00 N ATOM 292 CA ASP A 35 -6.558 11.697 8.239 1.00 0.00 C ATOM 293 C ASP A 35 -5.732 12.014 6.996 1.00 0.00 C ATOM 294 O ASP A 35 -6.200 12.696 6.085 1.00 0.00 O ATOM 295 CB ASP A 35 -6.070 12.540 9.418 1.00 0.00 C ATOM 296 CG ASP A 35 -7.213 13.077 10.257 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.788 14.120 9.881 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.535 12.453 11.289 1.00 0.00 O ATOM 0 H ASP A 35 -5.582 9.979 8.943 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.600 11.941 8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.414 11.937 10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.475 13.373 9.044 1.00 0.00 H new ATOM 303 N GLY A 36 -4.500 11.517 6.970 1.00 0.00 N ATOM 304 CA GLY A 36 -3.626 11.759 5.836 1.00 0.00 C ATOM 305 C GLY A 36 -2.344 12.474 6.225 1.00 0.00 C ATOM 306 O GLY A 36 -1.564 12.869 5.359 1.00 0.00 O ATOM 0 H GLY A 36 -4.091 10.951 7.713 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.378 10.808 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.158 12.354 5.093 1.00 0.00 H new ATOM 310 N ARG A 37 -2.123 12.638 7.527 1.00 0.00 N ATOM 311 CA ARG A 37 -0.924 13.308 8.018 1.00 0.00 C ATOM 312 C ARG A 37 0.144 12.287 8.398 1.00 0.00 C ATOM 313 O ARG A 37 0.849 12.448 9.395 1.00 0.00 O ATOM 314 CB ARG A 37 -1.265 14.188 9.223 1.00 0.00 C ATOM 315 CG ARG A 37 -1.448 15.657 8.872 1.00 0.00 C ATOM 316 CD ARG A 37 -0.536 16.550 9.699 1.00 0.00 C ATOM 317 NE ARG A 37 -1.075 16.797 11.033 1.00 0.00 N ATOM 318 CZ ARG A 37 -0.379 17.355 12.023 1.00 0.00 C ATOM 319 NH1 ARG A 37 0.880 17.723 11.830 1.00 0.00 N ATOM 320 NH2 ARG A 37 -0.946 17.545 13.205 1.00 0.00 N ATOM 0 H ARG A 37 -2.757 12.317 8.258 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.531 13.939 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.179 13.817 9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.472 14.096 9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.241 15.807 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.486 15.944 9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.446 16.085 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.394 17.500 9.184 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.041 16.527 11.218 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.320 17.579 10.921 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.409 18.150 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.915 17.264 13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.414 17.972 13.963 1.00 0.00 H new ATOM 334 N MET A 38 0.260 11.236 7.592 1.00 0.00 N ATOM 335 CA MET A 38 1.241 10.188 7.838 1.00 0.00 C ATOM 336 C MET A 38 2.336 10.211 6.780 1.00 0.00 C ATOM 337 O MET A 38 2.061 10.121 5.583 1.00 0.00 O ATOM 338 CB MET A 38 0.563 8.816 7.847 1.00 0.00 C ATOM 339 CG MET A 38 1.247 7.803 8.749 1.00 0.00 C ATOM 340 SD MET A 38 0.078 6.706 9.574 1.00 0.00 S ATOM 341 CE MET A 38 -0.728 5.948 8.165 1.00 0.00 C ATOM 0 H MET A 38 -0.315 11.089 6.762 1.00 0.00 H new ATOM 0 HA MET A 38 1.693 10.372 8.813 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.472 8.934 8.168 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.539 8.426 6.830 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.943 7.208 8.158 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.836 8.330 9.499 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.798 5.868 8.357 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.563 6.561 7.279 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.314 4.953 8.001 1.00 0.00 H new ATOM 351 N LYS A 39 3.582 10.328 7.224 1.00 0.00 N ATOM 352 CA LYS A 39 4.720 10.357 6.313 1.00 0.00 C ATOM 353 C LYS A 39 4.708 9.133 5.402 1.00 0.00 C ATOM 354 O LYS A 39 4.303 8.044 5.814 1.00 0.00 O ATOM 355 CB LYS A 39 6.030 10.405 7.105 1.00 0.00 C ATOM 356 CG LYS A 39 6.730 11.752 7.048 1.00 0.00 C ATOM 357 CD LYS A 39 7.742 11.900 8.174 1.00 0.00 C ATOM 358 CE LYS A 39 9.039 12.526 7.688 1.00 0.00 C ATOM 359 NZ LYS A 39 10.236 11.809 8.213 1.00 0.00 N ATOM 0 H LYS A 39 3.830 10.404 8.210 1.00 0.00 H new ATOM 0 HA LYS A 39 4.644 11.252 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.824 10.157 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.704 9.639 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.234 11.862 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.991 12.551 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.316 12.515 8.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.950 10.921 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.060 12.517 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.076 13.570 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.099 12.268 7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.231 11.839 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.215 10.819 7.895 1.00 0.00 H new ATOM 373 N VAL A 40 5.157 9.311 4.163 1.00 0.00 N ATOM 374 CA VAL A 40 5.197 8.212 3.208 1.00 0.00 C ATOM 375 C VAL A 40 5.862 6.985 3.824 1.00 0.00 C ATOM 376 O VAL A 40 5.399 5.862 3.642 1.00 0.00 O ATOM 377 CB VAL A 40 5.949 8.607 1.918 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.055 7.422 0.966 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.263 9.781 1.237 1.00 0.00 C ATOM 0 H VAL A 40 5.496 10.202 3.800 1.00 0.00 H new ATOM 0 HA VAL A 40 4.165 7.975 2.949 1.00 0.00 H new ATOM 0 HB VAL A 40 6.959 8.911 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.588 7.726 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.597 6.611 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.055 7.080 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.808 10.044 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.241 9.505 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.249 10.636 1.913 1.00 0.00 H new ATOM 389 N PHE A 41 6.943 7.213 4.565 1.00 0.00 N ATOM 390 CA PHE A 41 7.673 6.128 5.215 1.00 0.00 C ATOM 391 C PHE A 41 6.725 5.227 6.000 1.00 0.00 C ATOM 392 O PHE A 41 6.838 4.001 5.955 1.00 0.00 O ATOM 393 CB PHE A 41 8.748 6.695 6.145 1.00 0.00 C ATOM 394 CG PHE A 41 9.877 5.741 6.413 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.639 4.507 7.000 1.00 0.00 C ATOM 396 CD2 PHE A 41 11.180 6.079 6.077 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.677 3.630 7.246 1.00 0.00 C ATOM 398 CE2 PHE A 41 12.221 5.204 6.322 1.00 0.00 C ATOM 399 CZ PHE A 41 11.970 3.979 6.907 1.00 0.00 C ATOM 0 H PHE A 41 7.333 8.141 4.731 1.00 0.00 H new ATOM 0 HA PHE A 41 8.152 5.530 4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.151 7.608 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.287 6.974 7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.630 4.229 7.268 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.383 7.036 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.478 2.672 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.231 5.478 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.783 3.295 7.099 1.00 0.00 H new ATOM 409 N SER A 42 5.787 5.841 6.709 1.00 0.00 N ATOM 410 CA SER A 42 4.815 5.090 7.492 1.00 0.00 C ATOM 411 C SER A 42 3.832 4.380 6.569 1.00 0.00 C ATOM 412 O SER A 42 3.380 3.272 6.858 1.00 0.00 O ATOM 413 CB SER A 42 4.064 6.020 8.445 1.00 0.00 C ATOM 414 OG SER A 42 4.771 6.183 9.662 1.00 0.00 O ATOM 0 H SER A 42 5.679 6.854 6.758 1.00 0.00 H new ATOM 0 HA SER A 42 5.347 4.344 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.920 6.991 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.073 5.614 8.648 1.00 0.00 H new ATOM 0 HG SER A 42 4.271 6.783 10.253 1.00 0.00 H new ATOM 420 N LEU A 43 3.516 5.025 5.450 1.00 0.00 N ATOM 421 CA LEU A 43 2.596 4.454 4.479 1.00 0.00 C ATOM 422 C LEU A 43 3.214 3.231 3.813 1.00 0.00 C ATOM 423 O LEU A 43 2.533 2.237 3.563 1.00 0.00 O ATOM 424 CB LEU A 43 2.222 5.495 3.422 1.00 0.00 C ATOM 425 CG LEU A 43 1.114 5.068 2.456 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.240 5.558 2.946 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.397 5.590 1.055 1.00 0.00 C ATOM 0 H LEU A 43 3.884 5.942 5.196 1.00 0.00 H new ATOM 0 HA LEU A 43 1.692 4.146 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.910 6.408 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.113 5.740 2.844 1.00 0.00 H new ATOM 0 HG LEU A 43 1.091 3.979 2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.015 5.245 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.446 5.135 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.230 6.646 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.599 5.277 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.448 6.679 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.347 5.189 0.702 1.00 0.00 H new ATOM 439 N ILE A 44 4.511 3.311 3.534 1.00 0.00 N ATOM 440 CA ILE A 44 5.219 2.206 2.907 1.00 0.00 C ATOM 441 C ILE A 44 5.254 0.997 3.830 1.00 0.00 C ATOM 442 O ILE A 44 5.000 -0.127 3.403 1.00 0.00 O ATOM 443 CB ILE A 44 6.659 2.594 2.528 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.654 3.901 1.730 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.315 1.471 1.739 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.913 4.136 0.921 1.00 0.00 C ATOM 0 H ILE A 44 5.090 4.127 3.732 1.00 0.00 H new ATOM 0 HA ILE A 44 4.676 1.956 1.996 1.00 0.00 H new ATOM 0 HB ILE A 44 7.240 2.751 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.797 3.900 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.517 4.734 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.333 1.757 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.337 0.565 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.745 1.284 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.830 5.082 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.773 4.172 1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.043 3.324 0.205 1.00 0.00 H new ATOM 458 N GLN A 45 5.565 1.236 5.099 1.00 0.00 N ATOM 459 CA GLN A 45 5.628 0.162 6.082 1.00 0.00 C ATOM 460 C GLN A 45 4.285 -0.552 6.188 1.00 0.00 C ATOM 461 O GLN A 45 4.228 -1.775 6.305 1.00 0.00 O ATOM 462 CB GLN A 45 6.037 0.714 7.449 1.00 0.00 C ATOM 463 CG GLN A 45 7.541 0.838 7.629 1.00 0.00 C ATOM 464 CD GLN A 45 8.039 0.144 8.882 1.00 0.00 C ATOM 465 OE1 GLN A 45 7.360 -0.718 9.440 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.233 0.516 9.329 1.00 0.00 N ATOM 0 H GLN A 45 5.777 2.162 5.470 1.00 0.00 H new ATOM 0 HA GLN A 45 6.378 -0.557 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.581 1.694 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.638 0.064 8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.043 0.414 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.812 1.893 7.671 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.761 1.235 8.835 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.622 0.083 10.167 1.00 0.00 H new ATOM 475 N GLN A 46 3.204 0.220 6.139 1.00 0.00 N ATOM 476 CA GLN A 46 1.861 -0.344 6.225 1.00 0.00 C ATOM 477 C GLN A 46 1.562 -1.215 5.007 1.00 0.00 C ATOM 478 O GLN A 46 1.088 -2.345 5.140 1.00 0.00 O ATOM 479 CB GLN A 46 0.820 0.771 6.339 1.00 0.00 C ATOM 480 CG GLN A 46 0.781 1.429 7.709 1.00 0.00 C ATOM 481 CD GLN A 46 -0.276 0.827 8.614 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.385 1.352 8.728 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.062 -0.278 9.268 1.00 0.00 N ATOM 0 H GLN A 46 3.231 1.235 6.040 1.00 0.00 H new ATOM 0 HA GLN A 46 1.811 -0.967 7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.030 1.531 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.165 0.362 6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.758 1.332 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.589 2.495 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.991 -0.680 9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.608 -0.725 9.894 1.00 0.00 H new ATOM 492 N ALA A 47 1.846 -0.683 3.823 1.00 0.00 N ATOM 493 CA ALA A 47 1.610 -1.413 2.581 1.00 0.00 C ATOM 494 C ALA A 47 2.496 -2.652 2.497 1.00 0.00 C ATOM 495 O ALA A 47 2.019 -3.748 2.205 1.00 0.00 O ATOM 496 CB ALA A 47 1.851 -0.505 1.385 1.00 0.00 C ATOM 0 H ALA A 47 2.239 0.250 3.696 1.00 0.00 H new ATOM 0 HA ALA A 47 0.571 -1.742 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.672 -1.061 0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.173 0.347 1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.881 -0.150 1.400 1.00 0.00 H new ATOM 502 N VAL A 48 3.788 -2.471 2.762 1.00 0.00 N ATOM 503 CA VAL A 48 4.741 -3.574 2.723 1.00 0.00 C ATOM 504 C VAL A 48 4.278 -4.720 3.615 1.00 0.00 C ATOM 505 O VAL A 48 4.263 -5.879 3.202 1.00 0.00 O ATOM 506 CB VAL A 48 6.148 -3.119 3.168 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.129 -4.282 3.132 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.638 -1.976 2.293 1.00 0.00 C ATOM 0 H VAL A 48 4.198 -1.569 3.006 1.00 0.00 H new ATOM 0 HA VAL A 48 4.794 -3.917 1.690 1.00 0.00 H new ATOM 0 HB VAL A 48 6.083 -2.763 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.113 -3.938 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.786 -5.069 3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.192 -4.674 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.631 -1.667 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.684 -2.306 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.951 -1.134 2.376 1.00 0.00 H new ATOM 518 N THR A 49 3.894 -4.383 4.841 1.00 0.00 N ATOM 519 CA THR A 49 3.420 -5.381 5.793 1.00 0.00 C ATOM 520 C THR A 49 2.232 -6.147 5.218 1.00 0.00 C ATOM 521 O THR A 49 2.149 -7.369 5.339 1.00 0.00 O ATOM 522 CB THR A 49 3.023 -4.714 7.110 1.00 0.00 C ATOM 523 OG1 THR A 49 4.112 -3.986 7.652 1.00 0.00 O ATOM 524 CG2 THR A 49 2.558 -5.695 8.165 1.00 0.00 C ATOM 0 H THR A 49 3.901 -3.428 5.199 1.00 0.00 H new ATOM 0 HA THR A 49 4.231 -6.084 5.984 1.00 0.00 H new ATOM 0 HB THR A 49 2.192 -4.055 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.225 -3.149 7.155 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.292 -5.154 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.687 -6.238 7.798 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.360 -6.400 8.384 1.00 0.00 H new ATOM 532 N ARG A 50 1.317 -5.416 4.585 1.00 0.00 N ATOM 533 CA ARG A 50 0.135 -6.023 3.984 1.00 0.00 C ATOM 534 C ARG A 50 0.523 -6.917 2.811 1.00 0.00 C ATOM 535 O ARG A 50 -0.121 -7.934 2.554 1.00 0.00 O ATOM 536 CB ARG A 50 -0.838 -4.941 3.515 1.00 0.00 C ATOM 537 CG ARG A 50 -2.297 -5.367 3.575 1.00 0.00 C ATOM 538 CD ARG A 50 -3.223 -4.265 3.083 1.00 0.00 C ATOM 539 NE ARG A 50 -4.190 -3.867 4.102 1.00 0.00 N ATOM 540 CZ ARG A 50 -5.283 -4.566 4.401 1.00 0.00 C ATOM 541 NH1 ARG A 50 -5.551 -5.696 3.759 1.00 0.00 N ATOM 542 NH2 ARG A 50 -6.109 -4.133 5.342 1.00 0.00 N ATOM 0 H ARG A 50 1.373 -4.403 4.476 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.354 -6.636 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.702 -4.051 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.592 -4.662 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.441 -6.261 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.558 -5.631 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.631 -3.399 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.753 -4.607 2.194 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.018 -3.002 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.918 -6.032 3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.390 -6.228 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.908 -3.264 5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.946 -4.668 5.571 1.00 0.00 H new ATOM 556 N TYR A 51 1.581 -6.533 2.103 1.00 0.00 N ATOM 557 CA TYR A 51 2.055 -7.302 0.957 1.00 0.00 C ATOM 558 C TYR A 51 2.454 -8.712 1.383 1.00 0.00 C ATOM 559 O TYR A 51 1.938 -9.699 0.860 1.00 0.00 O ATOM 560 CB TYR A 51 3.241 -6.589 0.296 1.00 0.00 C ATOM 561 CG TYR A 51 4.004 -7.444 -0.693 1.00 0.00 C ATOM 562 CD1 TYR A 51 4.940 -8.374 -0.256 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.793 -7.320 -2.060 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.641 -9.158 -1.153 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.491 -8.100 -2.964 1.00 0.00 C ATOM 566 CZ TYR A 51 5.412 -9.016 -2.505 1.00 0.00 C ATOM 567 OH TYR A 51 6.110 -9.793 -3.402 1.00 0.00 O ATOM 0 H TYR A 51 2.126 -5.694 2.303 1.00 0.00 H new ATOM 0 HA TYR A 51 1.244 -7.380 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.876 -5.699 -0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.927 -6.252 1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.123 -8.486 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.072 -6.603 -2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.364 -9.877 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.315 -7.992 -4.024 1.00 0.00 H new ATOM 0 HH TYR A 51 5.831 -9.570 -4.315 1.00 0.00 H new ATOM 577 N ARG A 52 3.375 -8.800 2.339 1.00 0.00 N ATOM 578 CA ARG A 52 3.841 -10.090 2.836 1.00 0.00 C ATOM 579 C ARG A 52 2.679 -10.918 3.377 1.00 0.00 C ATOM 580 O ARG A 52 2.586 -12.118 3.119 1.00 0.00 O ATOM 581 CB ARG A 52 4.895 -9.886 3.930 1.00 0.00 C ATOM 582 CG ARG A 52 6.268 -10.419 3.559 1.00 0.00 C ATOM 583 CD ARG A 52 7.207 -10.424 4.755 1.00 0.00 C ATOM 584 NE ARG A 52 7.223 -9.135 5.446 1.00 0.00 N ATOM 585 CZ ARG A 52 8.314 -8.586 5.979 1.00 0.00 C ATOM 586 NH1 ARG A 52 9.489 -9.200 5.900 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.229 -7.413 6.593 1.00 0.00 N ATOM 0 H ARG A 52 3.813 -7.993 2.784 1.00 0.00 H new ATOM 0 HA ARG A 52 4.291 -10.633 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.975 -8.822 4.151 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.558 -10.377 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.172 -11.431 3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.694 -9.807 2.764 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.902 -11.205 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.216 -10.669 4.423 1.00 0.00 H new ATOM 0 HE ARG A 52 6.344 -8.624 5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.563 -10.101 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.318 -8.770 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.331 -6.934 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.062 -6.990 7.002 1.00 0.00 H new ATOM 601 N LYS A 53 1.797 -10.269 4.131 1.00 0.00 N ATOM 602 CA LYS A 53 0.643 -10.946 4.713 1.00 0.00 C ATOM 603 C LYS A 53 -0.393 -11.287 3.644 1.00 0.00 C ATOM 604 O LYS A 53 -1.156 -12.242 3.791 1.00 0.00 O ATOM 605 CB LYS A 53 0.007 -10.074 5.796 1.00 0.00 C ATOM 606 CG LYS A 53 0.852 -9.955 7.055 1.00 0.00 C ATOM 607 CD LYS A 53 1.158 -11.319 7.651 1.00 0.00 C ATOM 608 CE LYS A 53 2.568 -11.775 7.311 1.00 0.00 C ATOM 609 NZ LYS A 53 2.711 -13.254 7.401 1.00 0.00 N ATOM 0 H LYS A 53 1.859 -9.275 4.353 1.00 0.00 H new ATOM 0 HA LYS A 53 0.991 -11.877 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.170 -9.077 5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.966 -10.488 6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.785 -9.441 6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.327 -9.345 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.039 -11.278 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.439 -12.049 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.822 -11.447 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.277 -11.300 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.246 -13.602 6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.219 -13.501 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.769 -13.694 7.412 1.00 0.00 H new ATOM 623 N ALA A 54 -0.418 -10.501 2.572 1.00 0.00 N ATOM 624 CA ALA A 54 -1.364 -10.722 1.485 1.00 0.00 C ATOM 625 C ALA A 54 -0.896 -11.848 0.567 1.00 0.00 C ATOM 626 O ALA A 54 -1.698 -12.661 0.106 1.00 0.00 O ATOM 627 CB ALA A 54 -1.563 -9.440 0.690 1.00 0.00 C ATOM 0 H ALA A 54 0.206 -9.706 2.433 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.317 -11.018 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.272 -9.620 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.951 -8.661 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.609 -9.120 0.272 1.00 0.00 H new ATOM 633 N VAL A 55 0.406 -11.887 0.305 1.00 0.00 N ATOM 634 CA VAL A 55 0.981 -12.913 -0.559 1.00 0.00 C ATOM 635 C VAL A 55 1.307 -14.187 0.220 1.00 0.00 C ATOM 636 O VAL A 55 1.868 -15.133 -0.332 1.00 0.00 O ATOM 637 CB VAL A 55 2.259 -12.404 -1.257 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.340 -12.085 -0.235 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.757 -13.421 -2.271 1.00 0.00 C ATOM 0 H VAL A 55 1.083 -11.221 0.678 1.00 0.00 H new ATOM 0 HA VAL A 55 0.229 -13.145 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 55 2.015 -11.485 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.232 -11.728 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.980 -11.314 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.583 -12.985 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.659 -13.043 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.982 -14.360 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.988 -13.590 -3.024 1.00 0.00 H new ATOM 649 N ALA A 56 0.950 -14.211 1.503 1.00 0.00 N ATOM 650 CA ALA A 56 1.207 -15.372 2.346 1.00 0.00 C ATOM 651 C ALA A 56 2.704 -15.624 2.499 1.00 0.00 C ATOM 652 O ALA A 56 3.185 -16.733 2.260 1.00 0.00 O ATOM 653 CB ALA A 56 0.514 -16.601 1.776 1.00 0.00 C ATOM 0 H ALA A 56 0.483 -13.439 1.979 1.00 0.00 H new ATOM 0 HA ALA A 56 0.801 -15.167 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.714 -17.461 2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.561 -16.425 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.891 -16.799 0.773 1.00 0.00 H new ATOM 659 N LYS A 57 3.435 -14.591 2.905 1.00 0.00 N ATOM 660 CA LYS A 57 4.877 -14.703 3.095 1.00 0.00 C ATOM 661 C LYS A 57 5.251 -14.474 4.556 1.00 0.00 C ATOM 662 O LYS A 57 4.381 -14.315 5.413 1.00 0.00 O ATOM 663 CB LYS A 57 5.612 -13.704 2.206 1.00 0.00 C ATOM 664 CG LYS A 57 5.892 -14.230 0.810 1.00 0.00 C ATOM 665 CD LYS A 57 6.459 -13.144 -0.083 1.00 0.00 C ATOM 666 CE LYS A 57 6.554 -13.603 -1.529 1.00 0.00 C ATOM 667 NZ LYS A 57 6.803 -12.466 -2.458 1.00 0.00 N ATOM 0 H LYS A 57 3.053 -13.667 3.109 1.00 0.00 H new ATOM 0 HA LYS A 57 5.177 -15.713 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.020 -12.792 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.555 -13.433 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.595 -15.061 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.972 -14.619 0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.829 -12.257 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.448 -12.858 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.357 -14.333 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.629 -14.107 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.499 -12.729 -3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.266 -11.634 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.818 -12.240 -2.466 1.00 0.00 H new ATOM 681 N ASP A 58 6.550 -14.454 4.833 1.00 0.00 N ATOM 682 CA ASP A 58 7.040 -14.243 6.188 1.00 0.00 C ATOM 683 C ASP A 58 8.351 -13.458 6.173 1.00 0.00 C ATOM 684 O ASP A 58 8.936 -13.237 5.113 1.00 0.00 O ATOM 685 CB ASP A 58 7.235 -15.589 6.891 1.00 0.00 C ATOM 686 CG ASP A 58 6.173 -15.852 7.940 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.127 -15.168 7.911 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.386 -16.742 8.791 1.00 0.00 O ATOM 0 H ASP A 58 7.283 -14.582 4.135 1.00 0.00 H new ATOM 0 HA ASP A 58 6.300 -13.661 6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.216 -16.389 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.219 -15.612 7.360 1.00 0.00 H new ATOM 693 N PRO A 59 8.834 -13.023 7.352 1.00 0.00 N ATOM 694 CA PRO A 59 10.082 -12.257 7.457 1.00 0.00 C ATOM 695 C PRO A 59 11.312 -13.064 7.042 1.00 0.00 C ATOM 696 O PRO A 59 12.414 -12.522 6.946 1.00 0.00 O ATOM 697 CB PRO A 59 10.161 -11.890 8.942 1.00 0.00 C ATOM 698 CG PRO A 59 9.304 -12.893 9.634 1.00 0.00 C ATOM 699 CD PRO A 59 8.204 -13.234 8.669 1.00 0.00 C ATOM 0 HA PRO A 59 10.075 -11.395 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.188 -11.931 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.802 -10.876 9.117 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.879 -13.780 9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.898 -12.487 10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.864 -14.262 8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.334 -12.592 8.807 1.00 0.00 H new ATOM 707 N ASN A 60 11.124 -14.362 6.797 1.00 0.00 N ATOM 708 CA ASN A 60 12.225 -15.235 6.394 1.00 0.00 C ATOM 709 C ASN A 60 13.065 -14.600 5.289 1.00 0.00 C ATOM 710 O ASN A 60 14.287 -14.743 5.268 1.00 0.00 O ATOM 711 CB ASN A 60 11.681 -16.587 5.923 1.00 0.00 C ATOM 712 CG ASN A 60 11.075 -17.393 7.054 1.00 0.00 C ATOM 713 OD1 ASN A 60 10.145 -16.943 7.724 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.600 -18.593 7.274 1.00 0.00 N ATOM 0 H ASN A 60 10.221 -14.830 6.871 1.00 0.00 H new ATOM 0 HA ASN A 60 12.866 -15.385 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.927 -16.424 5.153 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.487 -17.160 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.233 -19.181 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.370 -18.927 6.694 1.00 0.00 H new ATOM 721 N TYR A 61 12.405 -13.899 4.373 1.00 0.00 N ATOM 722 CA TYR A 61 13.099 -13.245 3.269 1.00 0.00 C ATOM 723 C TYR A 61 13.189 -11.738 3.503 1.00 0.00 C ATOM 724 O TYR A 61 12.346 -11.156 4.185 1.00 0.00 O ATOM 725 CB TYR A 61 12.396 -13.545 1.939 1.00 0.00 C ATOM 726 CG TYR A 61 11.174 -12.691 1.672 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.018 -12.837 2.427 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.180 -11.738 0.660 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.904 -12.060 2.183 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.068 -10.955 0.412 1.00 0.00 C ATOM 731 CZ TYR A 61 8.933 -11.120 1.175 1.00 0.00 C ATOM 732 OH TYR A 61 7.824 -10.345 0.928 1.00 0.00 O ATOM 0 H TYR A 61 11.393 -13.769 4.373 1.00 0.00 H new ATOM 0 HA TYR A 61 14.113 -13.642 3.219 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.108 -13.404 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.101 -14.594 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.990 -13.571 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.067 -11.607 0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.013 -12.188 2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.089 -10.217 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 61 8.075 -9.585 0.363 1.00 0.00 H new ATOM 742 N TRP A 62 14.217 -11.110 2.936 1.00 0.00 N ATOM 743 CA TRP A 62 14.410 -9.672 3.093 1.00 0.00 C ATOM 744 C TRP A 62 13.545 -8.893 2.110 1.00 0.00 C ATOM 745 O TRP A 62 13.195 -9.396 1.040 1.00 0.00 O ATOM 746 CB TRP A 62 15.890 -9.306 2.901 1.00 0.00 C ATOM 747 CG TRP A 62 16.228 -8.859 1.507 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.002 -9.546 0.352 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.838 -7.621 1.124 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.447 -8.823 -0.725 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.964 -7.636 -0.279 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.296 -6.504 1.828 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.526 -6.578 -0.988 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.852 -5.455 1.122 1.00 0.00 C ATOM 755 CH2 TRP A 62 17.963 -5.497 -0.274 1.00 0.00 C ATOM 0 H TRP A 62 14.926 -11.573 2.366 1.00 0.00 H new ATOM 0 HA TRP A 62 14.107 -9.400 4.104 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.152 -8.512 3.601 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.504 -10.170 3.154 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.539 -10.520 0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.400 -9.121 -1.699 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.217 -6.462 2.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.614 -6.610 -2.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.208 -4.586 1.656 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.402 -4.660 -0.796 1.00 0.00 H new ATOM 766 N ILE A 63 13.220 -7.656 2.480 1.00 0.00 N ATOM 767 CA ILE A 63 12.409 -6.788 1.637 1.00 0.00 C ATOM 768 C ILE A 63 12.889 -5.341 1.726 1.00 0.00 C ATOM 769 O ILE A 63 12.738 -4.688 2.758 1.00 0.00 O ATOM 770 CB ILE A 63 10.919 -6.848 2.033 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.407 -8.286 1.954 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.085 -5.937 1.139 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.056 -8.479 2.606 1.00 0.00 C ATOM 0 H ILE A 63 13.509 -7.233 3.362 1.00 0.00 H new ATOM 0 HA ILE A 63 12.517 -7.146 0.613 1.00 0.00 H new ATOM 0 HB ILE A 63 10.823 -6.498 3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.343 -8.584 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.130 -8.948 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.038 -5.995 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.434 -4.909 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.186 -6.254 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.753 -9.522 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.120 -8.212 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.320 -7.842 2.114 1.00 0.00 H new ATOM 785 N GLN A 64 13.462 -4.846 0.634 1.00 0.00 N ATOM 786 CA GLN A 64 13.956 -3.476 0.584 1.00 0.00 C ATOM 787 C GLN A 64 13.045 -2.606 -0.274 1.00 0.00 C ATOM 788 O GLN A 64 13.036 -2.721 -1.500 1.00 0.00 O ATOM 789 CB GLN A 64 15.380 -3.446 0.029 1.00 0.00 C ATOM 790 CG GLN A 64 16.286 -2.446 0.727 1.00 0.00 C ATOM 791 CD GLN A 64 15.739 -1.032 0.678 1.00 0.00 C ATOM 792 OE1 GLN A 64 14.860 -0.666 1.456 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.260 -0.230 -0.245 1.00 0.00 N ATOM 0 H GLN A 64 13.596 -5.374 -0.228 1.00 0.00 H new ATOM 0 HA GLN A 64 13.962 -3.078 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.816 -4.441 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.341 -3.208 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.418 -2.745 1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.271 -2.467 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.988 -0.577 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.932 0.732 -0.329 1.00 0.00 H new ATOM 802 N VAL A 65 12.281 -1.736 0.376 1.00 0.00 N ATOM 803 CA VAL A 65 11.365 -0.847 -0.330 1.00 0.00 C ATOM 804 C VAL A 65 12.090 0.394 -0.837 1.00 0.00 C ATOM 805 O VAL A 65 12.315 1.343 -0.086 1.00 0.00 O ATOM 806 CB VAL A 65 10.186 -0.414 0.565 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.068 0.180 -0.279 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.672 -1.587 1.391 1.00 0.00 C ATOM 0 H VAL A 65 12.277 -1.627 1.390 1.00 0.00 H new ATOM 0 HA VAL A 65 10.972 -1.409 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 65 10.543 0.352 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.244 0.480 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.442 1.051 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.716 -0.565 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.841 -1.257 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.333 -2.380 0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.474 -1.964 2.026 1.00 0.00 H new ATOM 818 N HIS A 66 12.454 0.381 -2.118 1.00 0.00 N ATOM 819 CA HIS A 66 13.158 1.506 -2.725 1.00 0.00 C ATOM 820 C HIS A 66 12.382 2.808 -2.543 1.00 0.00 C ATOM 821 O HIS A 66 12.706 3.619 -1.677 1.00 0.00 O ATOM 822 CB HIS A 66 13.397 1.242 -4.213 1.00 0.00 C ATOM 823 CG HIS A 66 14.394 0.157 -4.476 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.757 0.340 -4.356 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.222 -1.132 -4.853 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.378 -0.790 -4.649 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.469 -1.698 -4.953 1.00 0.00 N ATOM 0 H HIS A 66 12.273 -0.396 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 66 14.119 1.610 -2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.450 0.976 -4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.740 2.162 -4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.279 -1.624 -5.040 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.447 -0.944 -4.641 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.662 -2.664 -5.219 1.00 0.00 H new ATOM 836 N ARG A 67 11.358 3.002 -3.366 1.00 0.00 N ATOM 837 CA ARG A 67 10.538 4.205 -3.297 1.00 0.00 C ATOM 838 C ARG A 67 9.221 4.012 -4.043 1.00 0.00 C ATOM 839 O ARG A 67 8.928 2.917 -4.525 1.00 0.00 O ATOM 840 CB ARG A 67 11.299 5.399 -3.879 1.00 0.00 C ATOM 841 CG ARG A 67 11.769 5.182 -5.309 1.00 0.00 C ATOM 842 CD ARG A 67 11.464 6.385 -6.186 1.00 0.00 C ATOM 843 NE ARG A 67 11.733 6.117 -7.598 1.00 0.00 N ATOM 844 CZ ARG A 67 10.941 5.384 -8.377 1.00 0.00 C ATOM 845 NH1 ARG A 67 9.831 4.845 -7.888 1.00 0.00 N ATOM 846 NH2 ARG A 67 11.262 5.188 -9.648 1.00 0.00 N ATOM 0 H ARG A 67 11.076 2.341 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 67 10.313 4.402 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.657 6.279 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.163 5.610 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.842 4.989 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.284 4.297 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.418 6.667 -6.064 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.064 7.234 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 67 12.577 6.515 -8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.581 4.992 -6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.228 4.284 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.115 5.599 -10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.656 4.626 -10.246 1.00 0.00 H new ATOM 860 N LEU A 68 8.430 5.076 -4.135 1.00 0.00 N ATOM 861 CA LEU A 68 7.145 5.014 -4.822 1.00 0.00 C ATOM 862 C LEU A 68 7.036 6.109 -5.879 1.00 0.00 C ATOM 863 O LEU A 68 7.653 7.167 -5.758 1.00 0.00 O ATOM 864 CB LEU A 68 5.999 5.141 -3.818 1.00 0.00 C ATOM 865 CG LEU A 68 6.213 4.405 -2.493 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.229 4.895 -1.443 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.076 2.903 -2.694 1.00 0.00 C ATOM 0 H LEU A 68 8.656 5.990 -3.743 1.00 0.00 H new ATOM 0 HA LEU A 68 7.076 4.047 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.837 6.198 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.087 4.765 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 68 7.222 4.617 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.397 4.360 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.373 5.963 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.210 4.714 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.231 2.393 -1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.078 2.676 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.821 2.563 -3.414 1.00 0.00 H new ATOM 879 N GLU A 69 6.244 5.846 -6.915 1.00 0.00 N ATOM 880 CA GLU A 69 6.054 6.809 -7.994 1.00 0.00 C ATOM 881 C GLU A 69 4.606 6.810 -8.473 1.00 0.00 C ATOM 882 O GLU A 69 4.020 5.754 -8.710 1.00 0.00 O ATOM 883 CB GLU A 69 6.989 6.489 -9.162 1.00 0.00 C ATOM 884 CG GLU A 69 6.845 7.440 -10.338 1.00 0.00 C ATOM 885 CD GLU A 69 7.781 7.100 -11.481 1.00 0.00 C ATOM 886 OE1 GLU A 69 7.390 6.288 -12.345 1.00 0.00 O ATOM 887 OE2 GLU A 69 8.904 7.645 -11.512 1.00 0.00 O ATOM 0 H GLU A 69 5.725 4.976 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 69 6.291 7.801 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.020 6.516 -8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.795 5.472 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.816 7.415 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.042 8.458 -10.003 1.00 0.00 H new ATOM 894 N HIS A 70 4.034 8.003 -8.615 1.00 0.00 N ATOM 895 CA HIS A 70 2.653 8.140 -9.067 1.00 0.00 C ATOM 896 C HIS A 70 2.460 7.488 -10.433 1.00 0.00 C ATOM 897 O HIS A 70 1.504 6.741 -10.645 1.00 0.00 O ATOM 898 CB HIS A 70 2.263 9.618 -9.135 1.00 0.00 C ATOM 899 CG HIS A 70 1.569 10.110 -7.904 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.302 9.704 -7.540 1.00 0.00 N ATOM 901 CD2 HIS A 70 1.971 10.980 -6.947 1.00 0.00 C ATOM 902 CE1 HIS A 70 -0.045 10.304 -6.415 1.00 0.00 C ATOM 903 NE2 HIS A 70 0.950 11.081 -6.035 1.00 0.00 N ATOM 0 H HIS A 70 4.505 8.887 -8.424 1.00 0.00 H new ATOM 0 HA HIS A 70 2.009 7.633 -8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.160 10.215 -9.300 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.613 9.775 -9.996 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.277 9.043 -8.059 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.918 11.498 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.984 10.179 -5.895 1.00 0.00 H new ATOM 912 N GLY A 71 3.373 7.774 -11.354 1.00 0.00 N ATOM 913 CA GLY A 71 3.285 7.209 -12.688 1.00 0.00 C ATOM 914 C GLY A 71 4.221 7.887 -13.668 1.00 0.00 C ATOM 915 O GLY A 71 5.118 7.252 -14.222 1.00 0.00 O ATOM 0 H GLY A 71 4.173 8.388 -11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.518 6.145 -12.645 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.260 7.296 -13.049 1.00 0.00 H new ATOM 919 N ASP A 72 4.013 9.183 -13.877 1.00 0.00 N ATOM 920 CA ASP A 72 4.844 9.953 -14.795 1.00 0.00 C ATOM 921 C ASP A 72 4.904 11.417 -14.374 1.00 0.00 C ATOM 922 O ASP A 72 4.237 12.271 -14.957 1.00 0.00 O ATOM 923 CB ASP A 72 4.303 9.840 -16.223 1.00 0.00 C ATOM 924 CG ASP A 72 5.024 8.778 -17.031 1.00 0.00 C ATOM 925 OD1 ASP A 72 6.269 8.834 -17.107 1.00 0.00 O ATOM 926 OD2 ASP A 72 4.341 7.893 -17.588 1.00 0.00 O ATOM 0 H ASP A 72 3.276 9.722 -13.423 1.00 0.00 H new ATOM 0 HA ASP A 72 5.854 9.544 -14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.239 9.606 -16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.402 10.803 -16.724 1.00 0.00 H new ATOM 931 N GLY A 73 5.711 11.700 -13.356 1.00 0.00 N ATOM 932 CA GLY A 73 5.847 13.063 -12.873 1.00 0.00 C ATOM 933 C GLY A 73 5.241 13.252 -11.496 1.00 0.00 C ATOM 934 O GLY A 73 4.621 14.277 -11.219 1.00 0.00 O ATOM 0 H GLY A 73 6.273 11.010 -12.857 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.903 13.331 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.366 13.744 -13.575 1.00 0.00 H new ATOM 938 N GLY A 74 5.425 12.260 -10.631 1.00 0.00 N ATOM 939 CA GLY A 74 4.888 12.341 -9.287 1.00 0.00 C ATOM 940 C GLY A 74 5.593 11.407 -8.324 1.00 0.00 C ATOM 941 O GLY A 74 4.953 10.760 -7.494 1.00 0.00 O ATOM 0 H GLY A 74 5.936 11.402 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.976 13.365 -8.925 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.825 12.101 -9.309 1.00 0.00 H new ATOM 945 N ILE A 75 6.915 11.334 -8.433 1.00 0.00 N ATOM 946 CA ILE A 75 7.708 10.473 -7.565 1.00 0.00 C ATOM 947 C ILE A 75 7.592 10.907 -6.109 1.00 0.00 C ATOM 948 O ILE A 75 7.266 12.059 -5.819 1.00 0.00 O ATOM 949 CB ILE A 75 9.195 10.472 -7.969 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.336 10.291 -9.483 1.00 0.00 C ATOM 951 CG2 ILE A 75 9.944 9.378 -7.223 1.00 0.00 C ATOM 952 CD1 ILE A 75 10.768 10.129 -9.947 1.00 0.00 C ATOM 0 H ILE A 75 7.460 11.862 -9.115 1.00 0.00 H new ATOM 0 HA ILE A 75 7.311 9.464 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 75 9.632 11.433 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.763 9.416 -9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.896 11.153 -9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.993 9.389 -7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.867 9.551 -6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.509 8.409 -7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.788 10.006 -11.030 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.342 11.014 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.207 9.251 -9.474 1.00 0.00 H new ATOM 964 N LEU A 76 7.862 9.981 -5.195 1.00 0.00 N ATOM 965 CA LEU A 76 7.789 10.274 -3.769 1.00 0.00 C ATOM 966 C LEU A 76 8.650 9.307 -2.962 1.00 0.00 C ATOM 967 O LEU A 76 8.693 8.109 -3.245 1.00 0.00 O ATOM 968 CB LEU A 76 6.341 10.223 -3.275 1.00 0.00 C ATOM 969 CG LEU A 76 5.420 9.317 -4.084 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.702 8.329 -3.179 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.420 10.141 -4.881 1.00 0.00 C ATOM 0 H LEU A 76 8.133 9.023 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 76 8.174 11.283 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.338 9.888 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.933 11.234 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 76 6.032 8.751 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.051 7.693 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.435 7.711 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.105 8.873 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.772 9.475 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.816 10.739 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.955 10.800 -5.565 1.00 0.00 H new ATOM 983 N ASP A 77 9.332 9.840 -1.953 1.00 0.00 N ATOM 984 CA ASP A 77 10.194 9.034 -1.097 1.00 0.00 C ATOM 985 C ASP A 77 9.577 8.869 0.289 1.00 0.00 C ATOM 986 O ASP A 77 8.383 9.101 0.478 1.00 0.00 O ATOM 987 CB ASP A 77 11.578 9.678 -0.986 1.00 0.00 C ATOM 988 CG ASP A 77 12.123 10.118 -2.331 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.535 9.243 -3.121 1.00 0.00 O ATOM 990 OD2 ASP A 77 12.136 11.339 -2.594 1.00 0.00 O ATOM 0 H ASP A 77 9.304 10.830 -1.708 1.00 0.00 H new ATOM 0 HA ASP A 77 10.298 8.046 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.522 10.540 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.270 8.969 -0.532 1.00 0.00 H new ATOM 995 N LEU A 78 10.395 8.464 1.258 1.00 0.00 N ATOM 996 CA LEU A 78 9.927 8.268 2.623 1.00 0.00 C ATOM 997 C LEU A 78 10.262 9.477 3.492 1.00 0.00 C ATOM 998 O LEU A 78 11.139 9.411 4.354 1.00 0.00 O ATOM 999 CB LEU A 78 10.554 7.004 3.219 1.00 0.00 C ATOM 1000 CG LEU A 78 10.778 5.859 2.229 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.150 5.975 1.582 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.629 4.515 2.928 1.00 0.00 C ATOM 0 H LEU A 78 11.386 8.266 1.120 1.00 0.00 H new ATOM 0 HA LEU A 78 8.843 8.152 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.512 7.269 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.914 6.646 4.025 1.00 0.00 H new ATOM 0 HG LEU A 78 10.022 5.926 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.292 5.153 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.222 6.923 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.920 5.933 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.791 3.711 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.363 4.439 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.626 4.431 3.345 1.00 0.00 H new ATOM 1014 N ASP A 79 9.560 10.582 3.259 1.00 0.00 N ATOM 1015 CA ASP A 79 9.785 11.804 4.020 1.00 0.00 C ATOM 1016 C ASP A 79 8.632 12.786 3.831 1.00 0.00 C ATOM 1017 O ASP A 79 8.159 13.395 4.791 1.00 0.00 O ATOM 1018 CB ASP A 79 11.101 12.459 3.596 1.00 0.00 C ATOM 1019 CG ASP A 79 11.431 13.686 4.423 1.00 0.00 C ATOM 1020 OD1 ASP A 79 10.608 14.626 4.445 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.511 13.708 5.050 1.00 0.00 O ATOM 0 H ASP A 79 8.831 10.655 2.549 1.00 0.00 H new ATOM 0 HA ASP A 79 9.842 11.538 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.910 11.734 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.042 12.739 2.544 1.00 0.00 H new ATOM 1026 N ASP A 80 8.185 12.935 2.589 1.00 0.00 N ATOM 1027 CA ASP A 80 7.086 13.842 2.279 1.00 0.00 C ATOM 1028 C ASP A 80 5.762 13.278 2.783 1.00 0.00 C ATOM 1029 O ASP A 80 5.475 12.095 2.607 1.00 0.00 O ATOM 1030 CB ASP A 80 7.012 14.090 0.771 1.00 0.00 C ATOM 1031 CG ASP A 80 7.662 15.399 0.367 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.256 16.453 0.904 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.574 15.371 -0.485 1.00 0.00 O ATOM 0 H ASP A 80 8.566 12.441 1.782 1.00 0.00 H new ATOM 0 HA ASP A 80 7.272 14.790 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.500 13.268 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.968 14.094 0.457 1.00 0.00 H new ATOM 1038 N ILE A 81 4.960 14.128 3.419 1.00 0.00 N ATOM 1039 CA ILE A 81 3.671 13.708 3.952 1.00 0.00 C ATOM 1040 C ILE A 81 2.819 13.026 2.887 1.00 0.00 C ATOM 1041 O ILE A 81 3.004 13.241 1.690 1.00 0.00 O ATOM 1042 CB ILE A 81 2.909 14.907 4.544 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.626 15.383 5.802 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.464 14.541 4.861 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.623 14.349 6.905 1.00 0.00 C ATOM 0 H ILE A 81 5.182 15.111 3.577 1.00 0.00 H new ATOM 0 HA ILE A 81 3.868 12.985 4.744 1.00 0.00 H new ATOM 0 HB ILE A 81 2.889 15.710 3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.656 15.639 5.553 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.150 16.294 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.952 15.408 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.960 14.226 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.445 13.726 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.147 14.744 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.595 14.111 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.124 13.446 6.558 1.00 0.00 H new ATOM 1057 N LEU A 82 1.890 12.191 3.340 1.00 0.00 N ATOM 1058 CA LEU A 82 1.012 11.460 2.439 1.00 0.00 C ATOM 1059 C LEU A 82 -0.001 12.386 1.772 1.00 0.00 C ATOM 1060 O LEU A 82 -0.148 12.381 0.550 1.00 0.00 O ATOM 1061 CB LEU A 82 0.282 10.350 3.197 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.693 9.526 2.356 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.040 8.827 1.223 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.420 8.513 3.226 1.00 0.00 C ATOM 0 H LEU A 82 1.727 12.005 4.329 1.00 0.00 H new ATOM 0 HA LEU A 82 1.631 11.018 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.023 9.678 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.265 10.797 4.027 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.431 10.201 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.670 8.245 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.517 9.571 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.799 8.163 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.110 7.935 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.695 7.842 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.977 9.035 4.004 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.703 13.173 2.580 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.709 14.096 2.065 1.00 0.00 C ATOM 1078 C CYS A 83 -1.071 15.277 1.330 1.00 0.00 C ATOM 1079 O CYS A 83 -1.770 16.075 0.706 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.587 14.611 3.208 1.00 0.00 C ATOM 1081 SG CYS A 83 -1.710 15.631 4.416 1.00 0.00 S ATOM 0 H CYS A 83 -0.594 13.191 3.594 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.323 13.548 1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.408 15.191 2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.030 13.759 3.723 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.608 16.076 3.890 1.00 0.00 H new ATOM 1087 N ASP A 84 0.251 15.390 1.406 1.00 0.00 N ATOM 1088 CA ASP A 84 0.959 16.482 0.747 1.00 0.00 C ATOM 1089 C ASP A 84 1.462 16.064 -0.632 1.00 0.00 C ATOM 1090 O ASP A 84 1.433 16.854 -1.577 1.00 0.00 O ATOM 1091 CB ASP A 84 2.133 16.950 1.608 1.00 0.00 C ATOM 1092 CG ASP A 84 1.678 17.656 2.870 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.043 16.999 3.721 1.00 0.00 O ATOM 1094 OD2 ASP A 84 1.959 18.865 3.008 1.00 0.00 O ATOM 0 H ASP A 84 0.852 14.742 1.915 1.00 0.00 H new ATOM 0 HA ASP A 84 0.256 17.305 0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.748 16.091 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.762 17.623 1.025 1.00 0.00 H new ATOM 1099 N VAL A 85 1.925 14.823 -0.744 1.00 0.00 N ATOM 1100 CA VAL A 85 2.439 14.313 -2.011 1.00 0.00 C ATOM 1101 C VAL A 85 1.413 13.432 -2.720 1.00 0.00 C ATOM 1102 O VAL A 85 1.345 13.405 -3.949 1.00 0.00 O ATOM 1103 CB VAL A 85 3.741 13.511 -1.808 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.489 12.281 -0.947 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.343 13.118 -3.151 1.00 0.00 C ATOM 0 H VAL A 85 1.955 14.153 0.025 1.00 0.00 H new ATOM 0 HA VAL A 85 2.649 15.183 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 85 4.456 14.147 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.421 11.731 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.111 12.590 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.754 11.640 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.261 12.553 -2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.632 12.503 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.568 14.016 -3.726 1.00 0.00 H new ATOM 1115 N ALA A 86 0.618 12.708 -1.939 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.400 11.824 -2.495 1.00 0.00 C ATOM 1117 C ALA A 86 -1.788 12.444 -2.396 1.00 0.00 C ATOM 1118 O ALA A 86 -1.963 13.508 -1.801 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.372 10.478 -1.786 1.00 0.00 C ATOM 0 H ALA A 86 0.659 12.716 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.175 11.675 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.137 9.827 -2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.608 10.019 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.567 10.622 -0.723 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.774 11.771 -2.982 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.151 12.254 -2.959 1.00 0.00 C ATOM 1127 C ASP A 87 -5.122 11.117 -2.656 1.00 0.00 C ATOM 1128 O ASP A 87 -4.827 9.950 -2.912 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.509 12.902 -4.298 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.749 13.770 -4.209 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.738 14.741 -3.421 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.731 13.479 -4.923 1.00 0.00 O ATOM 0 H ASP A 87 -2.645 10.889 -3.479 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.234 13.000 -2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.670 13.507 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.667 12.123 -5.044 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.282 11.466 -2.107 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.301 10.477 -1.767 1.00 0.00 C ATOM 1139 C ASP A 88 -7.641 9.602 -2.970 1.00 0.00 C ATOM 1140 O ASP A 88 -7.899 10.105 -4.064 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.565 11.172 -1.255 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.577 11.310 0.254 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -7.950 12.259 0.769 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.215 10.469 0.921 1.00 0.00 O ATOM 0 H ASP A 88 -6.540 12.428 -1.888 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.899 9.838 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.642 12.160 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.441 10.607 -1.572 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.638 8.289 -2.759 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.945 7.340 -3.823 1.00 0.00 C ATOM 1151 C LYS A 89 -7.015 7.539 -5.018 1.00 0.00 C ATOM 1152 O LYS A 89 -7.442 7.980 -6.086 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.406 7.487 -4.259 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.109 6.157 -4.488 1.00 0.00 C ATOM 1155 CD LYS A 89 -9.547 5.429 -5.700 1.00 0.00 C ATOM 1156 CE LYS A 89 -9.322 3.954 -5.410 1.00 0.00 C ATOM 1157 NZ LYS A 89 -8.939 3.200 -6.636 1.00 0.00 N ATOM 0 H LYS A 89 -7.426 7.858 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.791 6.333 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.949 8.049 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.445 8.072 -5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.000 5.530 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.176 6.328 -4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.234 5.535 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.605 5.890 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.540 3.847 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.230 3.524 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.794 2.198 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.696 3.281 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.058 3.594 -7.025 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.740 7.216 -4.830 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.752 7.362 -5.891 1.00 0.00 C ATOM 1173 C ASP A 90 -3.897 6.106 -6.022 1.00 0.00 C ATOM 1174 O ASP A 90 -3.651 5.403 -5.042 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.858 8.573 -5.619 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.092 9.015 -6.851 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -2.105 8.339 -7.211 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -3.479 10.037 -7.455 1.00 0.00 O ATOM 0 H ASP A 90 -5.367 6.852 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.286 7.513 -6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.471 9.400 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.153 8.329 -4.824 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.444 5.830 -7.243 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.614 4.662 -7.508 1.00 0.00 C ATOM 1185 C ARG A 91 -1.137 5.044 -7.524 1.00 0.00 C ATOM 1186 O ARG A 91 -0.772 6.126 -7.982 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.003 4.024 -8.843 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.464 2.614 -9.024 1.00 0.00 C ATOM 1189 CD ARG A 91 -3.524 1.568 -8.716 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.207 1.110 -9.924 1.00 0.00 N ATOM 1191 CZ ARG A 91 -5.201 0.226 -9.922 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -5.630 -0.299 -8.780 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -5.768 -0.136 -11.065 1.00 0.00 N ATOM 0 H ARG A 91 -3.639 6.402 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.778 3.939 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.090 4.001 -8.922 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.637 4.651 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.112 2.487 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.604 2.465 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.060 0.717 -8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.254 1.985 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.904 1.490 -10.821 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.197 -0.025 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.393 -0.976 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.442 0.263 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.530 -0.814 -11.064 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.290 4.151 -7.019 1.00 0.00 N ATOM 1208 CA LEU A 92 1.146 4.404 -6.975 1.00 0.00 C ATOM 1209 C LEU A 92 1.939 3.131 -7.251 1.00 0.00 C ATOM 1210 O LEU A 92 1.532 2.036 -6.863 1.00 0.00 O ATOM 1211 CB LEU A 92 1.541 4.976 -5.612 1.00 0.00 C ATOM 1212 CG LEU A 92 0.717 6.180 -5.149 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.808 6.338 -3.639 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.189 7.445 -5.848 1.00 0.00 C ATOM 0 H LEU A 92 -0.573 3.249 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 92 1.382 5.130 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.454 4.187 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.591 5.266 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.326 6.009 -5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.216 7.199 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.425 5.440 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.848 6.489 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.593 8.292 -5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.238 7.621 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.074 7.330 -6.926 1.00 0.00 H new ATOM 1226 N VAL A 93 3.078 3.285 -7.920 1.00 0.00 N ATOM 1227 CA VAL A 93 3.937 2.152 -8.244 1.00 0.00 C ATOM 1228 C VAL A 93 5.028 1.983 -7.193 1.00 0.00 C ATOM 1229 O VAL A 93 5.876 2.859 -7.017 1.00 0.00 O ATOM 1230 CB VAL A 93 4.595 2.322 -9.626 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.321 1.048 -10.031 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.553 2.705 -10.669 1.00 0.00 C ATOM 0 H VAL A 93 3.427 4.185 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 93 3.304 1.265 -8.260 1.00 0.00 H new ATOM 0 HB VAL A 93 5.328 3.127 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.780 1.186 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.094 0.821 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.610 0.223 -10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.035 2.821 -11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.796 1.923 -10.731 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.081 3.645 -10.384 1.00 0.00 H new ATOM 1242 N ALA A 94 4.996 0.858 -6.490 1.00 0.00 N ATOM 1243 CA ALA A 94 5.978 0.579 -5.448 1.00 0.00 C ATOM 1244 C ALA A 94 7.083 -0.348 -5.947 1.00 0.00 C ATOM 1245 O ALA A 94 6.822 -1.473 -6.382 1.00 0.00 O ATOM 1246 CB ALA A 94 5.295 -0.023 -4.229 1.00 0.00 C ATOM 0 H ALA A 94 4.301 0.123 -6.622 1.00 0.00 H new ATOM 0 HA ALA A 94 6.442 1.525 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.039 -0.227 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.555 0.678 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.801 -0.953 -4.511 1.00 0.00 H new ATOM 1252 N VAL A 95 8.320 0.131 -5.863 1.00 0.00 N ATOM 1253 CA VAL A 95 9.478 -0.644 -6.286 1.00 0.00 C ATOM 1254 C VAL A 95 10.293 -1.084 -5.074 1.00 0.00 C ATOM 1255 O VAL A 95 10.664 -0.263 -4.234 1.00 0.00 O ATOM 1256 CB VAL A 95 10.381 0.164 -7.238 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.503 -0.708 -7.783 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.562 0.760 -8.374 1.00 0.00 C ATOM 0 H VAL A 95 8.546 1.058 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 95 9.107 -1.520 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 95 10.829 0.982 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.129 -0.119 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.107 -1.082 -6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.077 -1.549 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.217 1.327 -9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.083 -0.041 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.799 1.422 -7.964 1.00 0.00 H new ATOM 1268 N PHE A 96 10.559 -2.382 -4.976 1.00 0.00 N ATOM 1269 CA PHE A 96 11.314 -2.913 -3.851 1.00 0.00 C ATOM 1270 C PHE A 96 12.083 -4.171 -4.235 1.00 0.00 C ATOM 1271 O PHE A 96 12.022 -4.632 -5.374 1.00 0.00 O ATOM 1272 CB PHE A 96 10.371 -3.221 -2.686 1.00 0.00 C ATOM 1273 CG PHE A 96 9.428 -4.360 -2.962 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.550 -4.306 -4.032 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.427 -5.487 -2.155 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.687 -5.351 -4.290 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.564 -6.536 -2.409 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.693 -6.467 -3.478 1.00 0.00 C ATOM 0 H PHE A 96 10.264 -3.081 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 96 12.036 -2.155 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.963 -3.456 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.791 -2.328 -2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.541 -3.436 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.108 -5.546 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.007 -5.296 -5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.571 -7.408 -1.772 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.017 -7.285 -3.679 1.00 0.00 H new ATOM 1288 N ASP A 97 12.797 -4.724 -3.261 1.00 0.00 N ATOM 1289 CA ASP A 97 13.576 -5.938 -3.467 1.00 0.00 C ATOM 1290 C ASP A 97 13.069 -7.046 -2.553 1.00 0.00 C ATOM 1291 O ASP A 97 12.457 -6.775 -1.521 1.00 0.00 O ATOM 1292 CB ASP A 97 15.058 -5.669 -3.194 1.00 0.00 C ATOM 1293 CG ASP A 97 15.868 -5.535 -4.467 1.00 0.00 C ATOM 1294 OD1 ASP A 97 16.320 -6.573 -4.996 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.051 -4.392 -4.937 1.00 0.00 O ATOM 0 H ASP A 97 12.852 -4.347 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 97 13.463 -6.255 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.156 -4.756 -2.607 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.466 -6.480 -2.591 1.00 0.00 H new ATOM 1300 N GLU A 98 13.323 -8.293 -2.934 1.00 0.00 N ATOM 1301 CA GLU A 98 12.881 -9.430 -2.134 1.00 0.00 C ATOM 1302 C GLU A 98 13.740 -10.659 -2.402 1.00 0.00 C ATOM 1303 O GLU A 98 14.022 -10.991 -3.555 1.00 0.00 O ATOM 1304 CB GLU A 98 11.413 -9.747 -2.426 1.00 0.00 C ATOM 1305 CG GLU A 98 11.088 -9.815 -3.909 1.00 0.00 C ATOM 1306 CD GLU A 98 10.099 -10.917 -4.237 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.107 -11.066 -3.491 1.00 0.00 O ATOM 1308 OE2 GLU A 98 10.315 -11.630 -5.239 1.00 0.00 O ATOM 0 H GLU A 98 13.828 -8.542 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 98 12.987 -9.161 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.157 -10.700 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.786 -8.987 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.680 -8.857 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.007 -9.977 -4.472 1.00 0.00 H new ATOM 1315 N GLN A 99 14.149 -11.337 -1.333 1.00 0.00 N ATOM 1316 CA GLN A 99 14.972 -12.538 -1.468 1.00 0.00 C ATOM 1317 C GLN A 99 14.116 -13.796 -1.351 1.00 0.00 C ATOM 1318 O GLN A 99 14.232 -14.551 -0.386 1.00 0.00 O ATOM 1319 CB GLN A 99 16.089 -12.560 -0.421 1.00 0.00 C ATOM 1320 CG GLN A 99 16.953 -13.811 -0.464 1.00 0.00 C ATOM 1321 CD GLN A 99 17.411 -14.251 0.912 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.128 -13.525 1.601 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.003 -15.447 1.319 1.00 0.00 N ATOM 0 H GLN A 99 13.927 -11.079 -0.371 1.00 0.00 H new ATOM 0 HA GLN A 99 15.429 -12.518 -2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.725 -11.687 -0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.645 -12.471 0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.392 -14.620 -0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.825 -13.624 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.409 -16.016 0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 99 17.283 -15.797 2.235 1.00 0.00 H new ATOM 1332 N ASP A 100 13.257 -14.014 -2.342 1.00 0.00 N ATOM 1333 CA ASP A 100 12.381 -15.180 -2.349 1.00 0.00 C ATOM 1334 C ASP A 100 12.456 -15.907 -3.688 1.00 0.00 C ATOM 1335 O ASP A 100 12.690 -17.134 -3.682 1.00 0.00 O ATOM 1336 CB ASP A 100 10.938 -14.762 -2.064 1.00 0.00 C ATOM 1337 CG ASP A 100 10.050 -15.944 -1.726 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.652 -16.673 -2.660 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.754 -16.142 -0.530 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.280 -15.244 -4.732 1.00 0.00 O ATOM 0 H ASP A 100 13.149 -13.400 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 100 12.716 -15.860 -1.566 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.925 -14.053 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.534 -14.244 -2.934 1.00 0.00 H new