USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 23 THR OG1 : rot 160:sc= -3.93! USER MOD Set 1.2: A 26 GLN : amide:sc= -8.46! C(o=-12!,f=-15!) USER MOD Single : A 6 THR OG1 : rot 26:sc= 0.0413 USER MOD Single : A 8 THR OG1 : rot -62:sc= 0.227 USER MOD Single : A 15 GLN : amide:sc= -0.0894 K(o=-0.089,f=-0.79) USER MOD Single : A 16 ASN : amide:sc= -4.99! C(o=-5!,f=-23!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -3:sc= -1.49! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -8.15! C(o=-8.2!,f=-3!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -1.71! C(o=-1.7!,f=-7.5!) USER MOD Single : B 16 ASN : amide:sc= -6.76! C(o=-6.8!,f=-24!) USER MOD Single : B 23 THR OG1 : rot -136:sc= -3.56! USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= -2.63! C(o=-2.6!,f=-8.4!) USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : B 30 LYS NZ :NH3+ 167:sc= -0.0179 (180deg=-0.24) USER MOD Single : B 37 THR OG1 : rot -71:sc= 0.172! USER MOD Single : B 46 TYR OH : rot 165:sc= -0.0991 USER MOD ----------------------------------------------------------------- ATOM 74 N THR A 6 9.993 -7.183 0.935 1.00 0.00 N ATOM 75 CA THR A 6 10.080 -5.962 1.727 1.00 0.00 C ATOM 76 C THR A 6 8.860 -5.075 1.505 1.00 0.00 C ATOM 77 O THR A 6 8.099 -5.275 0.558 1.00 0.00 O ATOM 78 CB THR A 6 11.351 -5.163 1.388 1.00 0.00 C ATOM 79 OG1 THR A 6 12.515 -5.955 1.654 1.00 0.00 O ATOM 80 CG2 THR A 6 11.413 -3.877 2.197 1.00 0.00 C ATOM 0 HA THR A 6 10.119 -6.265 2.773 1.00 0.00 H new ATOM 0 HB THR A 6 11.320 -4.908 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.287 -6.906 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.320 -3.329 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.542 -3.263 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.422 -4.116 3.260 1.00 0.00 H new ATOM 88 N CYS A 7 8.679 -4.096 2.385 1.00 0.00 N ATOM 89 CA CYS A 7 7.546 -3.183 2.288 1.00 0.00 C ATOM 90 C CYS A 7 7.926 -1.787 2.774 1.00 0.00 C ATOM 91 O CYS A 7 7.059 -0.977 3.103 1.00 0.00 O ATOM 92 CB CYS A 7 6.365 -3.713 3.101 1.00 0.00 C ATOM 93 SG CYS A 7 5.724 -5.319 2.526 1.00 0.00 S ATOM 0 H CYS A 7 9.301 -3.915 3.172 1.00 0.00 H new ATOM 0 HA CYS A 7 7.256 -3.117 1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.669 -3.808 4.143 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.559 -2.980 3.070 1.00 0.00 H new ATOM 98 N THR A 8 9.225 -1.510 2.812 1.00 0.00 N ATOM 99 CA THR A 8 9.715 -0.207 3.246 1.00 0.00 C ATOM 100 C THR A 8 10.077 0.669 2.052 1.00 0.00 C ATOM 101 O THR A 8 11.236 1.045 1.873 1.00 0.00 O ATOM 102 CB THR A 8 10.948 -0.344 4.159 1.00 0.00 C ATOM 103 OG1 THR A 8 11.398 0.951 4.573 1.00 0.00 O ATOM 104 CG2 THR A 8 12.074 -1.072 3.442 1.00 0.00 C ATOM 0 H THR A 8 9.957 -2.170 2.548 1.00 0.00 H new ATOM 0 HA THR A 8 8.907 0.262 3.808 1.00 0.00 H new ATOM 0 HB THR A 8 10.661 -0.925 5.035 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.665 1.471 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.934 -1.157 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.738 -2.068 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.358 -0.514 2.550 1.00 0.00 H new ATOM 112 N VAL A 9 9.078 0.990 1.237 1.00 0.00 N ATOM 113 CA VAL A 9 9.291 1.816 0.054 1.00 0.00 C ATOM 114 C VAL A 9 8.804 3.242 0.283 1.00 0.00 C ATOM 115 O VAL A 9 8.112 3.522 1.262 1.00 0.00 O ATOM 116 CB VAL A 9 8.571 1.231 -1.176 1.00 0.00 C ATOM 117 CG1 VAL A 9 8.807 2.103 -2.399 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.027 -0.197 -1.434 1.00 0.00 C ATOM 0 H VAL A 9 8.113 0.691 1.374 1.00 0.00 H new ATOM 0 HA VAL A 9 10.365 1.828 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 9 7.500 1.214 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.291 1.673 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.424 3.106 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.876 2.156 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.507 -0.593 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.102 -0.209 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.799 -0.814 -0.565 1.00 0.00 H new ATOM 128 N ALA A 10 9.167 4.138 -0.628 1.00 0.00 N ATOM 129 CA ALA A 10 8.759 5.535 -0.531 1.00 0.00 C ATOM 130 C ALA A 10 7.317 5.719 -0.991 1.00 0.00 C ATOM 131 O ALA A 10 6.973 5.401 -2.129 1.00 0.00 O ATOM 132 CB ALA A 10 9.693 6.414 -1.350 1.00 0.00 C ATOM 0 H ALA A 10 9.743 3.922 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 10 8.819 5.835 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.378 7.454 -1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.711 6.313 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.660 6.105 -2.395 1.00 0.00 H new ATOM 138 N PRO A 11 6.456 6.233 -0.100 1.00 0.00 N ATOM 139 CA PRO A 11 5.038 6.452 -0.404 1.00 0.00 C ATOM 140 C PRO A 11 4.830 7.133 -1.751 1.00 0.00 C ATOM 141 O PRO A 11 3.889 6.817 -2.480 1.00 0.00 O ATOM 142 CB PRO A 11 4.577 7.359 0.734 1.00 0.00 C ATOM 143 CG PRO A 11 5.467 7.011 1.877 1.00 0.00 C ATOM 144 CD PRO A 11 6.797 6.638 1.275 1.00 0.00 C ATOM 0 HA PRO A 11 4.484 5.516 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.671 8.411 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.530 7.185 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.571 7.854 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.055 6.183 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.491 7.479 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.272 5.826 1.825 1.00 0.00 H new ATOM 152 N ARG A 12 5.713 8.070 -2.079 1.00 0.00 N ATOM 153 CA ARG A 12 5.625 8.795 -3.341 1.00 0.00 C ATOM 154 C ARG A 12 5.988 7.892 -4.514 1.00 0.00 C ATOM 155 O ARG A 12 5.494 8.075 -5.628 1.00 0.00 O ATOM 156 CB ARG A 12 6.546 10.017 -3.319 1.00 0.00 C ATOM 157 CG ARG A 12 8.011 9.671 -3.109 1.00 0.00 C ATOM 158 CD ARG A 12 8.885 10.915 -3.126 1.00 0.00 C ATOM 159 NE ARG A 12 8.791 11.632 -4.396 1.00 0.00 N ATOM 160 CZ ARG A 12 9.605 12.624 -4.744 1.00 0.00 C ATOM 161 NH1 ARG A 12 10.570 13.011 -3.922 1.00 0.00 N ATOM 162 NH2 ARG A 12 9.455 13.227 -5.915 1.00 0.00 N ATOM 0 H ARG A 12 6.498 8.345 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 12 4.595 9.128 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.440 10.558 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.223 10.691 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.131 9.154 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.339 8.984 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.589 11.578 -2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.922 10.632 -2.945 1.00 0.00 H new ATOM 0 HE ARG A 12 8.060 11.356 -5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.689 12.548 -3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.194 13.772 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.714 12.930 -6.550 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.080 13.988 -6.181 1.00 0.00 H new ATOM 176 N GLU A 13 6.859 6.920 -4.260 1.00 0.00 N ATOM 177 CA GLU A 13 7.305 6.003 -5.302 1.00 0.00 C ATOM 178 C GLU A 13 6.767 4.596 -5.058 1.00 0.00 C ATOM 179 O GLU A 13 7.485 3.610 -5.225 1.00 0.00 O ATOM 180 CB GLU A 13 8.833 5.973 -5.362 1.00 0.00 C ATOM 181 CG GLU A 13 9.456 7.326 -5.664 1.00 0.00 C ATOM 182 CD GLU A 13 10.970 7.272 -5.717 1.00 0.00 C ATOM 183 OE1 GLU A 13 11.559 6.428 -5.009 1.00 0.00 O ATOM 184 OE2 GLU A 13 11.567 8.072 -6.468 1.00 0.00 O ATOM 0 H GLU A 13 7.269 6.748 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 13 6.916 6.360 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.219 5.609 -4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.145 5.260 -6.126 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.076 7.692 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.148 8.042 -4.902 1.00 0.00 H new ATOM 191 N ARG A 14 5.499 4.510 -4.671 1.00 0.00 N ATOM 192 CA ARG A 14 4.864 3.221 -4.423 1.00 0.00 C ATOM 193 C ARG A 14 3.874 2.879 -5.531 1.00 0.00 C ATOM 194 O ARG A 14 2.889 3.589 -5.737 1.00 0.00 O ATOM 195 CB ARG A 14 4.148 3.229 -3.070 1.00 0.00 C ATOM 196 CG ARG A 14 5.076 3.477 -1.893 1.00 0.00 C ATOM 197 CD ARG A 14 4.322 3.444 -0.573 1.00 0.00 C ATOM 198 NE ARG A 14 5.201 3.690 0.567 1.00 0.00 N ATOM 199 CZ ARG A 14 4.773 3.765 1.823 1.00 0.00 C ATOM 200 NH1 ARG A 14 3.485 3.613 2.096 1.00 0.00 N ATOM 201 NH2 ARG A 14 5.634 3.993 2.806 1.00 0.00 N ATOM 0 H ARG A 14 4.892 5.316 -4.522 1.00 0.00 H new ATOM 0 HA ARG A 14 5.644 2.460 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.376 3.998 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.644 2.273 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.863 2.722 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.564 4.445 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.531 4.194 -0.589 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.839 2.474 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 14 6.198 3.811 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.821 3.438 1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.158 3.671 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.626 4.111 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.304 4.050 3.770 1.00 0.00 H new ATOM 215 N GLN A 15 4.140 1.787 -6.238 1.00 0.00 N ATOM 216 CA GLN A 15 3.266 1.343 -7.317 1.00 0.00 C ATOM 217 C GLN A 15 2.157 0.443 -6.781 1.00 0.00 C ATOM 218 O GLN A 15 2.373 -0.744 -6.533 1.00 0.00 O ATOM 219 CB GLN A 15 4.073 0.599 -8.383 1.00 0.00 C ATOM 220 CG GLN A 15 5.163 1.445 -9.020 1.00 0.00 C ATOM 221 CD GLN A 15 4.616 2.685 -9.700 1.00 0.00 C ATOM 222 OE1 GLN A 15 3.488 2.690 -10.193 1.00 0.00 O ATOM 223 NE2 GLN A 15 5.416 3.745 -9.731 1.00 0.00 N ATOM 0 H GLN A 15 4.954 1.193 -6.083 1.00 0.00 H new ATOM 0 HA GLN A 15 2.809 2.224 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.526 -0.284 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.395 0.248 -9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.881 1.741 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.705 0.844 -9.750 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.344 3.696 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.103 4.608 -10.176 1.00 0.00 H new ATOM 232 N ASN A 16 0.972 1.015 -6.603 1.00 0.00 N ATOM 233 CA ASN A 16 -0.170 0.266 -6.091 1.00 0.00 C ATOM 234 C ASN A 16 -0.018 -1.223 -6.386 1.00 0.00 C ATOM 235 O ASN A 16 0.606 -1.611 -7.375 1.00 0.00 O ATOM 236 CB ASN A 16 -1.468 0.792 -6.704 1.00 0.00 C ATOM 237 CG ASN A 16 -2.690 0.051 -6.199 1.00 0.00 C ATOM 238 OD1 ASN A 16 -2.622 -1.136 -5.881 1.00 0.00 O ATOM 239 ND2 ASN A 16 -3.816 0.750 -6.120 1.00 0.00 N ATOM 0 H ASN A 16 0.777 1.995 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.208 0.401 -5.010 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.570 1.853 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.416 0.703 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.670 0.305 -5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.827 1.732 -6.394 1.00 0.00 H new ATOM 246 N CYS A 17 -0.583 -2.055 -5.517 1.00 0.00 N ATOM 247 CA CYS A 17 -0.489 -3.502 -5.670 1.00 0.00 C ATOM 248 C CYS A 17 -1.808 -4.166 -5.295 1.00 0.00 C ATOM 249 O CYS A 17 -1.931 -5.390 -5.320 1.00 0.00 O ATOM 250 CB CYS A 17 0.644 -4.053 -4.801 1.00 0.00 C ATOM 251 SG CYS A 17 0.879 -5.855 -4.935 1.00 0.00 S ATOM 0 H CYS A 17 -1.111 -1.751 -4.699 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.273 -3.725 -6.715 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.574 -3.555 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.444 -3.800 -3.760 1.00 0.00 H new ATOM 256 N GLY A 18 -2.791 -3.343 -4.952 1.00 0.00 N ATOM 257 CA GLY A 18 -4.098 -3.854 -4.591 1.00 0.00 C ATOM 258 C GLY A 18 -5.213 -2.899 -4.968 1.00 0.00 C ATOM 259 O GLY A 18 -5.187 -2.298 -6.042 1.00 0.00 O ATOM 0 H GLY A 18 -2.705 -2.327 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.260 -4.812 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.129 -4.040 -3.517 1.00 0.00 H new ATOM 263 N PHE A 19 -6.192 -2.758 -4.083 1.00 0.00 N ATOM 264 CA PHE A 19 -7.313 -1.856 -4.319 1.00 0.00 C ATOM 265 C PHE A 19 -7.188 -0.601 -3.458 1.00 0.00 C ATOM 266 O PHE A 19 -6.205 -0.432 -2.735 1.00 0.00 O ATOM 267 CB PHE A 19 -8.637 -2.573 -4.042 1.00 0.00 C ATOM 268 CG PHE A 19 -8.770 -3.092 -2.639 1.00 0.00 C ATOM 269 CD1 PHE A 19 -8.228 -4.318 -2.287 1.00 0.00 C ATOM 270 CD2 PHE A 19 -9.442 -2.359 -1.675 1.00 0.00 C ATOM 271 CE1 PHE A 19 -8.353 -4.802 -0.999 1.00 0.00 C ATOM 272 CE2 PHE A 19 -9.573 -2.839 -0.385 1.00 0.00 C ATOM 273 CZ PHE A 19 -9.027 -4.061 -0.047 1.00 0.00 C ATOM 0 H PHE A 19 -6.233 -3.257 -3.194 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.297 -1.550 -5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.459 -1.886 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.740 -3.406 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.702 -4.902 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.869 -1.401 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.925 -5.758 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.102 -2.259 0.357 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.126 -4.438 0.960 1.00 0.00 H new ATOM 283 N PRO A 20 -8.175 0.307 -3.536 1.00 0.00 N ATOM 284 CA PRO A 20 -8.149 1.566 -2.783 1.00 0.00 C ATOM 285 C PRO A 20 -8.275 1.346 -1.280 1.00 0.00 C ATOM 286 O PRO A 20 -7.371 1.684 -0.516 1.00 0.00 O ATOM 287 CB PRO A 20 -9.363 2.330 -3.316 1.00 0.00 C ATOM 288 CG PRO A 20 -10.274 1.280 -3.852 1.00 0.00 C ATOM 289 CD PRO A 20 -9.385 0.183 -4.367 1.00 0.00 C ATOM 0 HA PRO A 20 -7.206 2.097 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.845 2.905 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.074 3.037 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.941 0.909 -3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.903 1.679 -4.648 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.850 -0.797 -4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.160 0.311 -5.426 1.00 0.00 H new ATOM 297 N GLY A 21 -9.401 0.779 -0.861 1.00 0.00 N ATOM 298 CA GLY A 21 -9.628 0.534 0.551 1.00 0.00 C ATOM 299 C GLY A 21 -8.882 -0.686 1.057 1.00 0.00 C ATOM 300 O GLY A 21 -9.332 -1.354 1.988 1.00 0.00 O ATOM 0 H GLY A 21 -10.161 0.485 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.317 1.409 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.696 0.401 0.726 1.00 0.00 H new ATOM 304 N VAL A 22 -7.739 -0.976 0.444 1.00 0.00 N ATOM 305 CA VAL A 22 -6.930 -2.123 0.839 1.00 0.00 C ATOM 306 C VAL A 22 -6.550 -2.053 2.314 1.00 0.00 C ATOM 307 O VAL A 22 -6.102 -1.016 2.802 1.00 0.00 O ATOM 308 CB VAL A 22 -5.647 -2.224 -0.005 1.00 0.00 C ATOM 309 CG1 VAL A 22 -5.986 -2.482 -1.465 1.00 0.00 C ATOM 310 CG2 VAL A 22 -4.813 -0.960 0.141 1.00 0.00 C ATOM 0 H VAL A 22 -7.352 -0.433 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.540 -3.010 0.668 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.058 -3.066 0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.066 -2.550 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.539 -3.417 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.596 -1.664 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.910 -1.048 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.392 -0.101 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.539 -0.824 1.187 1.00 0.00 H new ATOM 320 N THR A 23 -6.723 -3.169 3.015 1.00 0.00 N ATOM 321 CA THR A 23 -6.371 -3.249 4.427 1.00 0.00 C ATOM 322 C THR A 23 -5.265 -4.273 4.656 1.00 0.00 C ATOM 323 O THR A 23 -4.811 -4.929 3.718 1.00 0.00 O ATOM 324 CB THR A 23 -7.591 -3.625 5.290 1.00 0.00 C ATOM 325 OG1 THR A 23 -8.101 -4.902 4.888 1.00 0.00 O ATOM 326 CG2 THR A 23 -8.685 -2.575 5.169 1.00 0.00 C ATOM 0 H THR A 23 -7.105 -4.031 2.627 1.00 0.00 H new ATOM 0 HA THR A 23 -6.018 -2.261 4.724 1.00 0.00 H new ATOM 0 HB THR A 23 -7.270 -3.674 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.644 -5.280 5.611 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.535 -2.863 5.787 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.303 -1.611 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.002 -2.498 4.129 1.00 0.00 H new ATOM 334 N PRO A 24 -4.818 -4.422 5.911 1.00 0.00 N ATOM 335 CA PRO A 24 -3.757 -5.369 6.266 1.00 0.00 C ATOM 336 C PRO A 24 -4.064 -6.786 5.791 1.00 0.00 C ATOM 337 O PRO A 24 -3.176 -7.502 5.329 1.00 0.00 O ATOM 338 CB PRO A 24 -3.724 -5.315 7.796 1.00 0.00 C ATOM 339 CG PRO A 24 -4.288 -3.980 8.141 1.00 0.00 C ATOM 340 CD PRO A 24 -5.309 -3.675 7.081 1.00 0.00 C ATOM 0 HA PRO A 24 -2.808 -5.109 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.315 -6.119 8.233 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.708 -5.425 8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.745 -3.993 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.507 -3.220 8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.306 -4.002 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.371 -2.606 6.878 1.00 0.00 H new ATOM 348 N SER A 25 -5.325 -7.188 5.918 1.00 0.00 N ATOM 349 CA SER A 25 -5.743 -8.531 5.531 1.00 0.00 C ATOM 350 C SER A 25 -6.143 -8.580 4.060 1.00 0.00 C ATOM 351 O SER A 25 -5.979 -9.603 3.397 1.00 0.00 O ATOM 352 CB SER A 25 -6.910 -8.993 6.404 1.00 0.00 C ATOM 353 OG SER A 25 -7.333 -10.296 6.040 1.00 0.00 O ATOM 0 H SER A 25 -6.075 -6.603 6.286 1.00 0.00 H new ATOM 0 HA SER A 25 -4.897 -9.202 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.611 -8.984 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.742 -8.296 6.304 1.00 0.00 H new ATOM 0 HG SER A 25 -8.079 -10.570 6.613 1.00 0.00 H new ATOM 359 N GLN A 26 -6.677 -7.470 3.557 1.00 0.00 N ATOM 360 CA GLN A 26 -7.121 -7.399 2.169 1.00 0.00 C ATOM 361 C GLN A 26 -5.930 -7.330 1.220 1.00 0.00 C ATOM 362 O GLN A 26 -5.978 -7.859 0.109 1.00 0.00 O ATOM 363 CB GLN A 26 -8.025 -6.183 1.964 1.00 0.00 C ATOM 364 CG GLN A 26 -9.279 -6.206 2.822 1.00 0.00 C ATOM 365 CD GLN A 26 -10.160 -4.991 2.600 1.00 0.00 C ATOM 366 OE1 GLN A 26 -10.013 -3.972 3.274 1.00 0.00 O ATOM 367 NE2 GLN A 26 -11.083 -5.096 1.651 1.00 0.00 N ATOM 0 H GLN A 26 -6.812 -6.610 4.089 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.686 -8.304 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.459 -5.278 2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.314 -6.128 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.849 -7.109 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.995 -6.257 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.169 -5.961 1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.706 -4.312 1.456 1.00 0.00 H new ATOM 376 N CYS A 27 -4.862 -6.676 1.664 1.00 0.00 N ATOM 377 CA CYS A 27 -3.656 -6.544 0.853 1.00 0.00 C ATOM 378 C CYS A 27 -2.728 -7.734 1.063 1.00 0.00 C ATOM 379 O CYS A 27 -2.273 -8.356 0.104 1.00 0.00 O ATOM 380 CB CYS A 27 -2.926 -5.244 1.197 1.00 0.00 C ATOM 381 SG CYS A 27 -1.423 -4.952 0.210 1.00 0.00 S ATOM 0 H CYS A 27 -4.806 -6.230 2.579 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.953 -6.519 -0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.610 -4.407 1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.657 -5.259 2.253 1.00 0.00 H new ATOM 386 N ALA A 28 -2.455 -8.050 2.325 1.00 0.00 N ATOM 387 CA ALA A 28 -1.596 -9.179 2.661 1.00 0.00 C ATOM 388 C ALA A 28 -2.171 -10.483 2.120 1.00 0.00 C ATOM 389 O ALA A 28 -1.429 -11.394 1.750 1.00 0.00 O ATOM 390 CB ALA A 28 -1.406 -9.268 4.167 1.00 0.00 C ATOM 0 H ALA A 28 -2.816 -7.540 3.131 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.625 -9.018 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.763 -10.116 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.945 -8.350 4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.375 -9.403 4.649 1.00 0.00 H new ATOM 396 N ASN A 29 -3.496 -10.562 2.070 1.00 0.00 N ATOM 397 CA ASN A 29 -4.173 -11.748 1.559 1.00 0.00 C ATOM 398 C ASN A 29 -3.723 -12.056 0.134 1.00 0.00 C ATOM 399 O ASN A 29 -3.859 -13.185 -0.340 1.00 0.00 O ATOM 400 CB ASN A 29 -5.688 -11.549 1.596 1.00 0.00 C ATOM 401 CG ASN A 29 -6.445 -12.756 1.076 1.00 0.00 C ATOM 402 OD1 ASN A 29 -5.953 -13.491 0.220 1.00 0.00 O ATOM 403 ND2 ASN A 29 -7.650 -12.965 1.592 1.00 0.00 N ATOM 0 H ASN A 29 -4.123 -9.818 2.377 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.909 -12.592 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.999 -11.342 2.620 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.951 -10.675 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.207 -13.761 1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.019 -12.330 2.300 1.00 0.00 H new ATOM 410 N LYS A 30 -3.188 -11.047 -0.543 1.00 0.00 N ATOM 411 CA LYS A 30 -2.716 -11.208 -1.913 1.00 0.00 C ATOM 412 C LYS A 30 -1.197 -11.322 -1.956 1.00 0.00 C ATOM 413 O LYS A 30 -0.637 -11.957 -2.850 1.00 0.00 O ATOM 414 CB LYS A 30 -3.173 -10.027 -2.773 1.00 0.00 C ATOM 415 CG LYS A 30 -4.682 -9.862 -2.828 1.00 0.00 C ATOM 416 CD LYS A 30 -5.081 -8.670 -3.684 1.00 0.00 C ATOM 417 CE LYS A 30 -6.590 -8.502 -3.737 1.00 0.00 C ATOM 418 NZ LYS A 30 -6.990 -7.334 -4.572 1.00 0.00 N ATOM 0 H LYS A 30 -3.070 -10.107 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.143 -12.128 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.730 -9.111 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.793 -10.158 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.134 -10.768 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.072 -9.733 -1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.627 -7.764 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.693 -8.800 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.042 -9.408 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.977 -8.375 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.027 -7.254 -4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.580 -6.466 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.643 -7.467 -5.543 1.00 0.00 H new ATOM 432 N GLY A 31 -0.534 -10.701 -0.986 1.00 0.00 N ATOM 433 CA GLY A 31 0.916 -10.736 -0.938 1.00 0.00 C ATOM 434 C GLY A 31 1.531 -9.356 -1.051 1.00 0.00 C ATOM 435 O GLY A 31 2.744 -9.195 -0.913 1.00 0.00 O ATOM 0 H GLY A 31 -0.975 -10.174 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.235 -11.197 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.289 -11.364 -1.747 1.00 0.00 H new ATOM 439 N CYS A 32 0.693 -8.356 -1.305 1.00 0.00 N ATOM 440 CA CYS A 32 1.160 -6.981 -1.435 1.00 0.00 C ATOM 441 C CYS A 32 1.598 -6.425 -0.084 1.00 0.00 C ATOM 442 O CYS A 32 1.693 -7.159 0.899 1.00 0.00 O ATOM 443 CB CYS A 32 0.057 -6.099 -2.025 1.00 0.00 C ATOM 444 SG CYS A 32 -0.516 -6.619 -3.674 1.00 0.00 S ATOM 0 H CYS A 32 -0.313 -8.473 -1.425 1.00 0.00 H new ATOM 0 HA CYS A 32 2.019 -6.978 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.793 -6.095 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.422 -5.074 -2.086 1.00 0.00 H new ATOM 449 N CYS A 33 1.849 -5.121 -0.041 1.00 0.00 N ATOM 450 CA CYS A 33 2.235 -4.455 1.197 1.00 0.00 C ATOM 451 C CYS A 33 1.184 -3.432 1.614 1.00 0.00 C ATOM 452 O CYS A 33 0.440 -2.918 0.779 1.00 0.00 O ATOM 453 CB CYS A 33 3.591 -3.767 1.033 1.00 0.00 C ATOM 454 SG CYS A 33 4.970 -4.905 0.687 1.00 0.00 S ATOM 0 H CYS A 33 1.792 -4.504 -0.851 1.00 0.00 H new ATOM 0 HA CYS A 33 2.312 -5.213 1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.522 -3.041 0.223 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.815 -3.209 1.942 1.00 0.00 H new ATOM 459 N PHE A 34 1.129 -3.139 2.908 1.00 0.00 N ATOM 460 CA PHE A 34 0.176 -2.166 3.430 1.00 0.00 C ATOM 461 C PHE A 34 0.868 -1.164 4.348 1.00 0.00 C ATOM 462 O PHE A 34 1.420 -1.533 5.384 1.00 0.00 O ATOM 463 CB PHE A 34 -0.947 -2.876 4.188 1.00 0.00 C ATOM 464 CG PHE A 34 -1.966 -1.936 4.767 1.00 0.00 C ATOM 465 CD1 PHE A 34 -3.076 -1.556 4.029 1.00 0.00 C ATOM 466 CD2 PHE A 34 -1.813 -1.432 6.048 1.00 0.00 C ATOM 467 CE1 PHE A 34 -4.014 -0.692 4.559 1.00 0.00 C ATOM 468 CE2 PHE A 34 -2.748 -0.566 6.583 1.00 0.00 C ATOM 469 CZ PHE A 34 -3.850 -0.196 5.837 1.00 0.00 C ATOM 0 H PHE A 34 1.732 -3.560 3.614 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.250 -1.624 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.447 -3.571 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.513 -3.469 4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.209 -1.940 3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.953 -1.719 6.635 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.875 -0.405 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.617 -0.179 7.583 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.582 0.480 6.253 1.00 0.00 H new ATOM 479 N ASP A 35 0.828 0.108 3.963 1.00 0.00 N ATOM 480 CA ASP A 35 1.438 1.166 4.759 1.00 0.00 C ATOM 481 C ASP A 35 0.466 2.326 4.956 1.00 0.00 C ATOM 482 O ASP A 35 0.549 3.342 4.266 1.00 0.00 O ATOM 483 CB ASP A 35 2.717 1.666 4.088 1.00 0.00 C ATOM 484 CG ASP A 35 3.396 2.764 4.883 1.00 0.00 C ATOM 485 OD1 ASP A 35 4.243 2.439 5.742 1.00 0.00 O ATOM 486 OD2 ASP A 35 3.081 3.950 4.648 1.00 0.00 O ATOM 0 H ASP A 35 0.380 0.430 3.105 1.00 0.00 H new ATOM 0 HA ASP A 35 1.688 0.753 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.408 0.832 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.480 2.037 3.091 1.00 0.00 H new ATOM 491 N ASP A 36 -0.455 2.164 5.900 1.00 0.00 N ATOM 492 CA ASP A 36 -1.447 3.194 6.184 1.00 0.00 C ATOM 493 C ASP A 36 -0.812 4.377 6.907 1.00 0.00 C ATOM 494 O ASP A 36 -1.510 5.232 7.451 1.00 0.00 O ATOM 495 CB ASP A 36 -2.585 2.616 7.027 1.00 0.00 C ATOM 496 CG ASP A 36 -2.102 2.077 8.359 1.00 0.00 C ATOM 497 OD1 ASP A 36 -0.939 1.628 8.431 1.00 0.00 O ATOM 498 OD2 ASP A 36 -2.887 2.105 9.331 1.00 0.00 O ATOM 0 H ASP A 36 -0.535 1.330 6.481 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.850 3.547 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.333 3.389 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.075 1.817 6.471 1.00 0.00 H new ATOM 503 N THR A 37 0.516 4.419 6.909 1.00 0.00 N ATOM 504 CA THR A 37 1.246 5.498 7.564 1.00 0.00 C ATOM 505 C THR A 37 1.276 6.748 6.692 1.00 0.00 C ATOM 506 O THR A 37 1.571 7.844 7.169 1.00 0.00 O ATOM 507 CB THR A 37 2.692 5.081 7.891 1.00 0.00 C ATOM 508 OG1 THR A 37 3.389 4.739 6.687 1.00 0.00 O ATOM 509 CG2 THR A 37 2.710 3.896 8.845 1.00 0.00 C ATOM 0 H THR A 37 1.109 3.718 6.464 1.00 0.00 H new ATOM 0 HA THR A 37 0.720 5.717 8.493 1.00 0.00 H new ATOM 0 HB THR A 37 3.189 5.924 8.371 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.774 4.793 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.742 3.619 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.205 4.167 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.196 3.051 8.386 1.00 0.00 H new ATOM 517 N VAL A 38 0.968 6.576 5.410 1.00 0.00 N ATOM 518 CA VAL A 38 0.959 7.691 4.470 1.00 0.00 C ATOM 519 C VAL A 38 -0.324 7.705 3.648 1.00 0.00 C ATOM 520 O VAL A 38 -0.535 6.846 2.792 1.00 0.00 O ATOM 521 CB VAL A 38 2.166 7.631 3.515 1.00 0.00 C ATOM 522 CG1 VAL A 38 2.138 8.800 2.543 1.00 0.00 C ATOM 523 CG2 VAL A 38 3.469 7.612 4.300 1.00 0.00 C ATOM 0 H VAL A 38 0.722 5.676 4.999 1.00 0.00 H new ATOM 0 HA VAL A 38 1.019 8.604 5.062 1.00 0.00 H new ATOM 0 HB VAL A 38 2.103 6.708 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.999 8.740 1.877 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.221 8.763 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.174 9.737 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.310 7.569 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.542 8.516 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.489 6.737 4.950 1.00 0.00 H new ATOM 533 N ARG A 39 -1.179 8.686 3.913 1.00 0.00 N ATOM 534 CA ARG A 39 -2.442 8.815 3.195 1.00 0.00 C ATOM 535 C ARG A 39 -2.225 9.447 1.824 1.00 0.00 C ATOM 536 O ARG A 39 -1.092 9.720 1.428 1.00 0.00 O ATOM 537 CB ARG A 39 -3.432 9.652 4.007 1.00 0.00 C ATOM 538 CG ARG A 39 -4.782 9.822 3.332 1.00 0.00 C ATOM 539 CD ARG A 39 -5.737 10.634 4.191 1.00 0.00 C ATOM 540 NE ARG A 39 -7.037 10.809 3.551 1.00 0.00 N ATOM 541 CZ ARG A 39 -8.155 11.078 4.216 1.00 0.00 C ATOM 542 NH1 ARG A 39 -8.131 11.200 5.535 1.00 0.00 N ATOM 543 NH2 ARG A 39 -9.300 11.223 3.561 1.00 0.00 N ATOM 0 H ARG A 39 -1.021 9.404 4.620 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.855 7.816 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.578 9.183 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.000 10.636 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.649 10.315 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.215 8.842 3.131 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.870 10.138 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.299 11.611 4.395 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.090 10.720 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.253 11.087 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.991 11.407 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.322 11.128 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.158 11.430 4.073 1.00 0.00 H new ATOM 557 N GLY A 40 -3.318 9.673 1.102 1.00 0.00 N ATOM 558 CA GLY A 40 -3.223 10.259 -0.222 1.00 0.00 C ATOM 559 C GLY A 40 -2.679 9.284 -1.247 1.00 0.00 C ATOM 560 O GLY A 40 -3.133 9.259 -2.392 1.00 0.00 O ATOM 0 H GLY A 40 -4.267 9.461 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.209 10.601 -0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.579 11.137 -0.182 1.00 0.00 H new ATOM 564 N VAL A 41 -1.707 8.477 -0.836 1.00 0.00 N ATOM 565 CA VAL A 41 -1.108 7.487 -1.723 1.00 0.00 C ATOM 566 C VAL A 41 -1.715 6.107 -1.493 1.00 0.00 C ATOM 567 O VAL A 41 -2.425 5.887 -0.512 1.00 0.00 O ATOM 568 CB VAL A 41 0.417 7.403 -1.525 1.00 0.00 C ATOM 569 CG1 VAL A 41 1.069 8.747 -1.813 1.00 0.00 C ATOM 570 CG2 VAL A 41 0.748 6.934 -0.116 1.00 0.00 C ATOM 0 H VAL A 41 -1.317 8.489 0.106 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.316 7.809 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 41 0.816 6.673 -2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.146 8.667 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.862 9.038 -2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.666 9.500 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.830 6.881 0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.336 7.637 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.315 5.947 0.050 1.00 0.00 H new ATOM 580 N PRO A 42 -1.438 5.159 -2.401 1.00 0.00 N ATOM 581 CA PRO A 42 -1.951 3.789 -2.298 1.00 0.00 C ATOM 582 C PRO A 42 -1.327 3.026 -1.135 1.00 0.00 C ATOM 583 O PRO A 42 -0.109 2.861 -1.069 1.00 0.00 O ATOM 584 CB PRO A 42 -1.549 3.156 -3.631 1.00 0.00 C ATOM 585 CG PRO A 42 -0.371 3.947 -4.087 1.00 0.00 C ATOM 586 CD PRO A 42 -0.601 5.349 -3.598 1.00 0.00 C ATOM 0 HA PRO A 42 -3.024 3.768 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.295 2.103 -3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.363 3.206 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.554 3.539 -3.681 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.281 3.922 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.337 5.850 -3.357 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.105 5.959 -4.348 1.00 0.00 H new ATOM 594 N TRP A 43 -2.169 2.566 -0.215 1.00 0.00 N ATOM 595 CA TRP A 43 -1.697 1.831 0.953 1.00 0.00 C ATOM 596 C TRP A 43 -1.116 0.480 0.548 1.00 0.00 C ATOM 597 O TRP A 43 -0.050 0.086 1.021 1.00 0.00 O ATOM 598 CB TRP A 43 -2.836 1.632 1.955 1.00 0.00 C ATOM 599 CG TRP A 43 -3.393 2.917 2.484 1.00 0.00 C ATOM 600 CD1 TRP A 43 -2.821 4.155 2.401 1.00 0.00 C ATOM 601 CD2 TRP A 43 -4.630 3.093 3.185 1.00 0.00 C ATOM 602 NE1 TRP A 43 -3.628 5.089 3.004 1.00 0.00 N ATOM 603 CE2 TRP A 43 -4.744 4.462 3.493 1.00 0.00 C ATOM 604 CE3 TRP A 43 -5.653 2.227 3.581 1.00 0.00 C ATOM 605 CZ2 TRP A 43 -5.839 4.983 4.178 1.00 0.00 C ATOM 606 CZ3 TRP A 43 -6.740 2.747 4.261 1.00 0.00 C ATOM 607 CH2 TRP A 43 -6.825 4.113 4.552 1.00 0.00 C ATOM 0 H TRP A 43 -3.181 2.689 -0.256 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.909 2.418 1.425 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.636 1.067 1.477 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.475 1.030 2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.873 4.368 1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.429 6.087 3.076 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -5.596 1.171 3.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.907 6.037 4.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -7.536 2.087 4.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.687 4.488 5.083 1.00 0.00 H new ATOM 618 N CYS A 44 -1.824 -0.227 -0.327 1.00 0.00 N ATOM 619 CA CYS A 44 -1.376 -1.534 -0.792 1.00 0.00 C ATOM 620 C CYS A 44 -0.544 -1.399 -2.064 1.00 0.00 C ATOM 621 O CYS A 44 -1.043 -0.962 -3.099 1.00 0.00 O ATOM 622 CB CYS A 44 -2.576 -2.446 -1.047 1.00 0.00 C ATOM 623 SG CYS A 44 -2.128 -4.149 -1.516 1.00 0.00 S ATOM 0 H CYS A 44 -2.709 0.083 -0.728 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.752 -1.977 -0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.192 -2.478 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.188 -2.012 -1.838 1.00 0.00 H new ATOM 628 N PHE A 45 0.729 -1.774 -1.977 1.00 0.00 N ATOM 629 CA PHE A 45 1.631 -1.685 -3.118 1.00 0.00 C ATOM 630 C PHE A 45 2.532 -2.912 -3.198 1.00 0.00 C ATOM 631 O PHE A 45 2.586 -3.717 -2.269 1.00 0.00 O ATOM 632 CB PHE A 45 2.483 -0.417 -3.022 1.00 0.00 C ATOM 633 CG PHE A 45 3.319 -0.349 -1.775 1.00 0.00 C ATOM 634 CD1 PHE A 45 2.804 0.193 -0.608 1.00 0.00 C ATOM 635 CD2 PHE A 45 4.620 -0.827 -1.772 1.00 0.00 C ATOM 636 CE1 PHE A 45 3.571 0.256 0.539 1.00 0.00 C ATOM 637 CE2 PHE A 45 5.391 -0.765 -0.627 1.00 0.00 C ATOM 638 CZ PHE A 45 4.866 -0.222 0.529 1.00 0.00 C ATOM 0 H PHE A 45 1.158 -2.142 -1.128 1.00 0.00 H new ATOM 0 HA PHE A 45 1.027 -1.642 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.137 -0.362 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.829 0.454 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.792 0.570 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.035 -1.252 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.158 0.679 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.403 -1.141 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.468 -0.171 1.424 1.00 0.00 H new ATOM 648 N TYR A 46 3.235 -3.053 -4.319 1.00 0.00 N ATOM 649 CA TYR A 46 4.123 -4.190 -4.525 1.00 0.00 C ATOM 650 C TYR A 46 5.328 -4.115 -3.594 1.00 0.00 C ATOM 651 O TYR A 46 5.942 -3.058 -3.440 1.00 0.00 O ATOM 652 CB TYR A 46 4.593 -4.241 -5.981 1.00 0.00 C ATOM 653 CG TYR A 46 3.463 -4.357 -6.979 1.00 0.00 C ATOM 654 CD1 TYR A 46 2.792 -5.559 -7.161 1.00 0.00 C ATOM 655 CD2 TYR A 46 3.071 -3.264 -7.741 1.00 0.00 C ATOM 656 CE1 TYR A 46 1.761 -5.670 -8.075 1.00 0.00 C ATOM 657 CE2 TYR A 46 2.040 -3.366 -8.657 1.00 0.00 C ATOM 658 CZ TYR A 46 1.389 -4.570 -8.820 1.00 0.00 C ATOM 659 OH TYR A 46 0.363 -4.676 -9.731 1.00 0.00 O ATOM 0 H TYR A 46 3.206 -2.394 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 46 3.566 -5.099 -4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.169 -3.342 -6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.266 -5.089 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.080 -6.422 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.579 -2.319 -7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.250 -6.612 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.746 -2.507 -9.242 1.00 0.00 H new ATOM 0 HH TYR A 46 0.226 -3.811 -10.171 1.00 0.00 H new ATOM 669 N PRO A 47 5.683 -5.243 -2.963 1.00 0.00 N ATOM 670 CA PRO A 47 6.823 -5.313 -2.046 1.00 0.00 C ATOM 671 C PRO A 47 8.159 -5.271 -2.779 1.00 0.00 C ATOM 672 O PRO A 47 8.247 -4.774 -3.902 1.00 0.00 O ATOM 673 CB PRO A 47 6.636 -6.664 -1.356 1.00 0.00 C ATOM 674 CG PRO A 47 5.892 -7.492 -2.347 1.00 0.00 C ATOM 675 CD PRO A 47 4.998 -6.542 -3.097 1.00 0.00 C ATOM 0 HA PRO A 47 6.848 -4.467 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.595 -7.116 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.077 -6.560 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.579 -7.999 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.308 -8.265 -1.848 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.891 -6.833 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.996 -6.513 -2.670 1.00 0.00 H new ATOM 683 N ASN A 48 9.196 -5.794 -2.136 1.00 0.00 N ATOM 684 CA ASN A 48 10.530 -5.816 -2.725 1.00 0.00 C ATOM 685 C ASN A 48 11.231 -7.139 -2.437 1.00 0.00 C ATOM 686 O ASN A 48 11.867 -7.302 -1.395 1.00 0.00 O ATOM 687 CB ASN A 48 11.366 -4.655 -2.185 1.00 0.00 C ATOM 688 CG ASN A 48 10.743 -3.306 -2.487 1.00 0.00 C ATOM 689 OD1 ASN A 48 10.065 -3.134 -3.500 1.00 0.00 O ATOM 690 ND2 ASN A 48 10.971 -2.339 -1.605 1.00 0.00 N ATOM 0 H ASN A 48 9.139 -6.209 -1.206 1.00 0.00 H new ATOM 0 HA ASN A 48 10.425 -5.709 -3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.483 -4.765 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.365 -4.697 -2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.578 -1.410 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.539 -2.526 -0.779 1.00 0.00 H new ATOM 965 N CYS B 7 8.270 -42.485 -18.509 1.00 0.00 N ATOM 966 CA CYS B 7 8.072 -43.875 -18.116 1.00 0.00 C ATOM 967 C CYS B 7 9.276 -44.729 -18.501 1.00 0.00 C ATOM 968 O CYS B 7 9.269 -45.946 -18.317 1.00 0.00 O ATOM 969 CB CYS B 7 6.807 -44.437 -18.767 1.00 0.00 C ATOM 970 SG CYS B 7 5.275 -43.570 -18.293 1.00 0.00 S ATOM 0 HA CYS B 7 7.960 -43.905 -17.032 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.918 -44.390 -19.850 1.00 0.00 H new ATOM 0 HB3 CYS B 7 6.712 -45.490 -18.502 1.00 0.00 H new ATOM 975 N THR B 8 10.308 -44.084 -19.036 1.00 0.00 N ATOM 976 CA THR B 8 11.516 -44.787 -19.447 1.00 0.00 C ATOM 977 C THR B 8 12.343 -45.212 -18.238 1.00 0.00 C ATOM 978 O THR B 8 13.177 -44.453 -17.746 1.00 0.00 O ATOM 979 CB THR B 8 12.388 -43.914 -20.370 1.00 0.00 C ATOM 980 OG1 THR B 8 13.565 -44.633 -20.758 1.00 0.00 O ATOM 981 CG2 THR B 8 12.786 -42.620 -19.675 1.00 0.00 C ATOM 0 H THR B 8 10.331 -43.077 -19.195 1.00 0.00 H new ATOM 0 HA THR B 8 11.195 -45.673 -19.994 1.00 0.00 H new ATOM 0 HB THR B 8 11.804 -43.668 -21.257 1.00 0.00 H new ATOM 0 HG1 THR B 8 14.113 -44.071 -21.346 1.00 0.00 H new ATOM 0 HG21 THR B 8 13.401 -42.021 -20.346 1.00 0.00 H new ATOM 0 HG22 THR B 8 11.890 -42.060 -19.407 1.00 0.00 H new ATOM 0 HG23 THR B 8 13.353 -42.851 -18.773 1.00 0.00 H new ATOM 989 N VAL B 9 12.103 -46.430 -17.763 1.00 0.00 N ATOM 990 CA VAL B 9 12.818 -46.951 -16.604 1.00 0.00 C ATOM 991 C VAL B 9 13.408 -48.326 -16.894 1.00 0.00 C ATOM 992 O VAL B 9 12.936 -49.042 -17.779 1.00 0.00 O ATOM 993 CB VAL B 9 11.898 -47.052 -15.375 1.00 0.00 C ATOM 994 CG1 VAL B 9 12.667 -47.576 -14.173 1.00 0.00 C ATOM 995 CG2 VAL B 9 11.266 -45.704 -15.067 1.00 0.00 C ATOM 0 H VAL B 9 11.420 -47.074 -18.162 1.00 0.00 H new ATOM 0 HA VAL B 9 13.624 -46.249 -16.390 1.00 0.00 H new ATOM 0 HB VAL B 9 11.099 -47.758 -15.601 1.00 0.00 H new ATOM 0 HG11 VAL B 9 11.999 -47.640 -13.314 1.00 0.00 H new ATOM 0 HG12 VAL B 9 13.065 -48.566 -14.399 1.00 0.00 H new ATOM 0 HG13 VAL B 9 13.489 -46.898 -13.944 1.00 0.00 H new ATOM 0 HG21 VAL B 9 10.619 -45.796 -14.195 1.00 0.00 H new ATOM 0 HG22 VAL B 9 12.049 -44.973 -14.863 1.00 0.00 H new ATOM 0 HG23 VAL B 9 10.677 -45.374 -15.923 1.00 0.00 H new ATOM 1005 N ALA B 10 14.437 -48.693 -16.140 1.00 0.00 N ATOM 1006 CA ALA B 10 15.078 -49.993 -16.300 1.00 0.00 C ATOM 1007 C ALA B 10 14.204 -51.106 -15.731 1.00 0.00 C ATOM 1008 O ALA B 10 13.964 -51.163 -14.525 1.00 0.00 O ATOM 1009 CB ALA B 10 16.443 -49.997 -15.630 1.00 0.00 C ATOM 0 H ALA B 10 14.846 -48.108 -15.411 1.00 0.00 H new ATOM 0 HA ALA B 10 15.211 -50.177 -17.366 1.00 0.00 H new ATOM 0 HB1 ALA B 10 16.908 -50.974 -15.758 1.00 0.00 H new ATOM 0 HB2 ALA B 10 17.073 -49.232 -16.084 1.00 0.00 H new ATOM 0 HB3 ALA B 10 16.327 -49.787 -14.567 1.00 0.00 H new ATOM 1015 N PRO B 11 13.709 -51.998 -16.601 1.00 0.00 N ATOM 1016 CA PRO B 11 12.838 -53.101 -16.196 1.00 0.00 C ATOM 1017 C PRO B 11 13.281 -53.742 -14.886 1.00 0.00 C ATOM 1018 O PRO B 11 12.464 -54.274 -14.135 1.00 0.00 O ATOM 1019 CB PRO B 11 12.979 -54.083 -17.354 1.00 0.00 C ATOM 1020 CG PRO B 11 13.221 -53.221 -18.548 1.00 0.00 C ATOM 1021 CD PRO B 11 13.960 -52.000 -18.054 1.00 0.00 C ATOM 0 HA PRO B 11 11.814 -52.776 -16.011 1.00 0.00 H new ATOM 0 HB2 PRO B 11 13.805 -54.774 -17.190 1.00 0.00 H new ATOM 0 HB3 PRO B 11 12.079 -54.685 -17.475 1.00 0.00 H new ATOM 0 HG2 PRO B 11 13.808 -53.752 -19.297 1.00 0.00 H new ATOM 0 HG3 PRO B 11 12.280 -52.940 -19.020 1.00 0.00 H new ATOM 0 HD2 PRO B 11 15.026 -52.061 -18.275 1.00 0.00 H new ATOM 0 HD3 PRO B 11 13.588 -51.090 -18.525 1.00 0.00 H new ATOM 1029 N ARG B 12 14.581 -53.683 -14.615 1.00 0.00 N ATOM 1030 CA ARG B 12 15.129 -54.239 -13.385 1.00 0.00 C ATOM 1031 C ARG B 12 15.144 -53.194 -12.275 1.00 0.00 C ATOM 1032 O ARG B 12 15.039 -53.526 -11.095 1.00 0.00 O ATOM 1033 CB ARG B 12 16.545 -54.764 -13.626 1.00 0.00 C ATOM 1034 CG ARG B 12 17.514 -53.700 -14.115 1.00 0.00 C ATOM 1035 CD ARG B 12 18.901 -54.276 -14.349 1.00 0.00 C ATOM 1036 NE ARG B 12 18.889 -55.344 -15.344 1.00 0.00 N ATOM 1037 CZ ARG B 12 19.963 -56.050 -15.680 1.00 0.00 C ATOM 1038 NH1 ARG B 12 21.130 -55.801 -15.100 1.00 0.00 N ATOM 1039 NH2 ARG B 12 19.872 -57.007 -16.594 1.00 0.00 N ATOM 0 H ARG B 12 15.273 -53.256 -15.231 1.00 0.00 H new ATOM 0 HA ARG B 12 14.490 -55.065 -13.072 1.00 0.00 H new ATOM 0 HB2 ARG B 12 16.927 -55.193 -12.700 1.00 0.00 H new ATOM 0 HB3 ARG B 12 16.505 -55.571 -14.358 1.00 0.00 H new ATOM 0 HG2 ARG B 12 17.139 -53.263 -15.041 1.00 0.00 H new ATOM 0 HG3 ARG B 12 17.572 -52.895 -13.383 1.00 0.00 H new ATOM 0 HD2 ARG B 12 19.572 -53.482 -14.677 1.00 0.00 H new ATOM 0 HD3 ARG B 12 19.297 -54.661 -13.409 1.00 0.00 H new ATOM 0 HE ARG B 12 18.006 -55.560 -15.807 1.00 0.00 H new ATOM 0 HH11 ARG B 12 21.203 -55.067 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG B 12 21.954 -56.344 -15.359 1.00 0.00 H new ATOM 0 HH21 ARG B 12 18.976 -57.202 -17.041 1.00 0.00 H new ATOM 0 HH22 ARG B 12 20.698 -57.548 -16.850 1.00 0.00 H new ATOM 1053 N GLU B 13 15.281 -51.930 -12.663 1.00 0.00 N ATOM 1054 CA GLU B 13 15.330 -50.836 -11.701 1.00 0.00 C ATOM 1055 C GLU B 13 14.015 -50.064 -11.681 1.00 0.00 C ATOM 1056 O GLU B 13 13.917 -49.002 -11.065 1.00 0.00 O ATOM 1057 CB GLU B 13 16.485 -49.890 -12.033 1.00 0.00 C ATOM 1058 CG GLU B 13 17.848 -50.563 -12.014 1.00 0.00 C ATOM 1059 CD GLU B 13 18.976 -49.607 -12.350 1.00 0.00 C ATOM 1060 OE1 GLU B 13 19.524 -48.984 -11.418 1.00 0.00 O ATOM 1061 OE2 GLU B 13 19.311 -49.483 -13.547 1.00 0.00 O ATOM 0 H GLU B 13 15.360 -51.639 -13.637 1.00 0.00 H new ATOM 0 HA GLU B 13 15.491 -51.264 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU B 13 16.317 -49.457 -13.019 1.00 0.00 H new ATOM 0 HB3 GLU B 13 16.486 -49.066 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU B 13 18.023 -50.993 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU B 13 17.852 -51.388 -12.727 1.00 0.00 H new ATOM 1068 N ARG B 14 13.004 -50.602 -12.357 1.00 0.00 N ATOM 1069 CA ARG B 14 11.694 -49.961 -12.410 1.00 0.00 C ATOM 1070 C ARG B 14 10.999 -50.030 -11.055 1.00 0.00 C ATOM 1071 O ARG B 14 11.151 -51.003 -10.317 1.00 0.00 O ATOM 1072 CB ARG B 14 10.820 -50.621 -13.479 1.00 0.00 C ATOM 1073 CG ARG B 14 11.386 -50.510 -14.886 1.00 0.00 C ATOM 1074 CD ARG B 14 10.463 -51.149 -15.911 1.00 0.00 C ATOM 1075 NE ARG B 14 10.995 -51.045 -17.267 1.00 0.00 N ATOM 1076 CZ ARG B 14 10.405 -51.578 -18.331 1.00 0.00 C ATOM 1077 NH1 ARG B 14 9.270 -52.251 -18.197 1.00 0.00 N ATOM 1078 NH2 ARG B 14 10.949 -51.439 -19.533 1.00 0.00 N ATOM 0 H ARG B 14 13.066 -51.479 -12.875 1.00 0.00 H new ATOM 0 HA ARG B 14 11.842 -48.913 -12.669 1.00 0.00 H new ATOM 0 HB2 ARG B 14 10.691 -51.675 -13.231 1.00 0.00 H new ATOM 0 HB3 ARG B 14 9.830 -50.165 -13.458 1.00 0.00 H new ATOM 0 HG2 ARG B 14 11.538 -49.460 -15.136 1.00 0.00 H new ATOM 0 HG3 ARG B 14 12.363 -50.991 -14.925 1.00 0.00 H new ATOM 0 HD2 ARG B 14 10.314 -52.199 -15.660 1.00 0.00 H new ATOM 0 HD3 ARG B 14 9.485 -50.669 -15.867 1.00 0.00 H new ATOM 0 HE ARG B 14 11.868 -50.535 -17.405 1.00 0.00 H new ATOM 0 HH11 ARG B 14 8.848 -52.360 -17.275 1.00 0.00 H new ATOM 0 HH12 ARG B 14 8.819 -52.659 -19.016 1.00 0.00 H new ATOM 0 HH21 ARG B 14 11.822 -50.922 -19.641 1.00 0.00 H new ATOM 0 HH22 ARG B 14 10.495 -51.849 -20.349 1.00 0.00 H new ATOM 1092 N GLN B 15 10.233 -48.992 -10.737 1.00 0.00 N ATOM 1093 CA GLN B 15 9.508 -48.935 -9.472 1.00 0.00 C ATOM 1094 C GLN B 15 8.121 -49.551 -9.612 1.00 0.00 C ATOM 1095 O GLN B 15 7.183 -48.897 -10.069 1.00 0.00 O ATOM 1096 CB GLN B 15 9.393 -47.487 -8.993 1.00 0.00 C ATOM 1097 CG GLN B 15 10.736 -46.820 -8.745 1.00 0.00 C ATOM 1098 CD GLN B 15 11.597 -46.763 -9.991 1.00 0.00 C ATOM 1099 OE1 GLN B 15 11.087 -46.687 -11.109 1.00 0.00 O ATOM 1100 NE2 GLN B 15 12.911 -46.799 -9.804 1.00 0.00 N ATOM 0 H GLN B 15 10.098 -48.179 -11.337 1.00 0.00 H new ATOM 0 HA GLN B 15 10.066 -49.511 -8.734 1.00 0.00 H new ATOM 0 HB2 GLN B 15 8.842 -46.910 -9.736 1.00 0.00 H new ATOM 0 HB3 GLN B 15 8.809 -47.463 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN B 15 10.572 -45.808 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN B 15 11.269 -47.363 -7.964 1.00 0.00 H new ATOM 0 HE21 GLN B 15 13.290 -46.862 -8.859 1.00 0.00 H new ATOM 0 HE22 GLN B 15 13.541 -46.763 -10.605 1.00 0.00 H new ATOM 1109 N ASN B 16 7.998 -50.815 -9.218 1.00 0.00 N ATOM 1110 CA ASN B 16 6.727 -51.524 -9.307 1.00 0.00 C ATOM 1111 C ASN B 16 5.591 -50.684 -8.734 1.00 0.00 C ATOM 1112 O ASN B 16 5.796 -49.885 -7.820 1.00 0.00 O ATOM 1113 CB ASN B 16 6.816 -52.863 -8.571 1.00 0.00 C ATOM 1114 CG ASN B 16 5.518 -53.644 -8.633 1.00 0.00 C ATOM 1115 OD1 ASN B 16 4.434 -53.064 -8.681 1.00 0.00 O ATOM 1116 ND2 ASN B 16 5.622 -54.968 -8.634 1.00 0.00 N ATOM 0 H ASN B 16 8.764 -51.369 -8.834 1.00 0.00 H new ATOM 0 HA ASN B 16 6.515 -51.710 -10.360 1.00 0.00 H new ATOM 0 HB2 ASN B 16 7.618 -53.461 -9.005 1.00 0.00 H new ATOM 0 HB3 ASN B 16 7.080 -52.685 -7.529 1.00 0.00 H new ATOM 0 HD21 ASN B 16 4.782 -55.545 -8.676 1.00 0.00 H new ATOM 0 HD22 ASN B 16 6.542 -55.407 -8.593 1.00 0.00 H new ATOM 1123 N CYS B 17 4.392 -50.865 -9.280 1.00 0.00 N ATOM 1124 CA CYS B 17 3.223 -50.118 -8.830 1.00 0.00 C ATOM 1125 C CYS B 17 2.021 -51.040 -8.672 1.00 0.00 C ATOM 1126 O CYS B 17 0.929 -50.602 -8.311 1.00 0.00 O ATOM 1127 CB CYS B 17 2.896 -48.997 -9.819 1.00 0.00 C ATOM 1128 SG CYS B 17 1.390 -48.056 -9.410 1.00 0.00 S ATOM 0 H CYS B 17 4.205 -51.524 -10.036 1.00 0.00 H new ATOM 0 HA CYS B 17 3.453 -49.679 -7.859 1.00 0.00 H new ATOM 0 HB2 CYS B 17 3.740 -48.309 -9.863 1.00 0.00 H new ATOM 0 HB3 CYS B 17 2.783 -49.427 -10.814 1.00 0.00 H new ATOM 1133 N GLY B 18 2.237 -52.322 -8.939 1.00 0.00 N ATOM 1134 CA GLY B 18 1.175 -53.301 -8.808 1.00 0.00 C ATOM 1135 C GLY B 18 1.683 -54.722 -8.946 1.00 0.00 C ATOM 1136 O GLY B 18 2.707 -55.081 -8.363 1.00 0.00 O ATOM 0 H GLY B 18 3.133 -52.702 -9.245 1.00 0.00 H new ATOM 0 HA2 GLY B 18 0.692 -53.183 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY B 18 0.415 -53.114 -9.567 1.00 0.00 H new ATOM 1140 N PHE B 19 0.974 -55.529 -9.725 1.00 0.00 N ATOM 1141 CA PHE B 19 1.377 -56.910 -9.963 1.00 0.00 C ATOM 1142 C PHE B 19 1.964 -57.076 -11.361 1.00 0.00 C ATOM 1143 O PHE B 19 1.860 -56.180 -12.198 1.00 0.00 O ATOM 1144 CB PHE B 19 0.187 -57.854 -9.773 1.00 0.00 C ATOM 1145 CG PHE B 19 -0.995 -57.518 -10.637 1.00 0.00 C ATOM 1146 CD1 PHE B 19 -1.892 -56.533 -10.256 1.00 0.00 C ATOM 1147 CD2 PHE B 19 -1.212 -58.191 -11.829 1.00 0.00 C ATOM 1148 CE1 PHE B 19 -2.982 -56.225 -11.046 1.00 0.00 C ATOM 1149 CE2 PHE B 19 -2.301 -57.887 -12.624 1.00 0.00 C ATOM 1150 CZ PHE B 19 -3.188 -56.902 -12.232 1.00 0.00 C ATOM 0 H PHE B 19 0.117 -55.251 -10.203 1.00 0.00 H new ATOM 0 HA PHE B 19 2.149 -57.166 -9.237 1.00 0.00 H new ATOM 0 HB2 PHE B 19 0.506 -58.874 -9.989 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -0.120 -57.831 -8.727 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -1.737 -56.000 -9.330 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -0.522 -58.962 -12.140 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -3.673 -55.455 -10.736 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -2.459 -58.419 -13.551 1.00 0.00 H new ATOM 0 HZ PHE B 19 -4.040 -56.662 -12.851 1.00 0.00 H new ATOM 1160 N PRO B 20 2.604 -58.225 -11.621 1.00 0.00 N ATOM 1161 CA PRO B 20 3.246 -58.502 -12.911 1.00 0.00 C ATOM 1162 C PRO B 20 2.235 -58.662 -14.042 1.00 0.00 C ATOM 1163 O PRO B 20 2.557 -58.444 -15.210 1.00 0.00 O ATOM 1164 CB PRO B 20 3.988 -59.818 -12.667 1.00 0.00 C ATOM 1165 CG PRO B 20 3.259 -60.464 -11.540 1.00 0.00 C ATOM 1166 CD PRO B 20 2.761 -59.341 -10.673 1.00 0.00 C ATOM 0 HA PRO B 20 3.895 -57.684 -13.224 1.00 0.00 H new ATOM 0 HB2 PRO B 20 3.979 -60.448 -13.557 1.00 0.00 H new ATOM 0 HB3 PRO B 20 5.033 -59.641 -12.412 1.00 0.00 H new ATOM 0 HG2 PRO B 20 2.431 -61.071 -11.907 1.00 0.00 H new ATOM 0 HG3 PRO B 20 3.917 -61.128 -10.979 1.00 0.00 H new ATOM 0 HD2 PRO B 20 1.817 -59.594 -10.190 1.00 0.00 H new ATOM 0 HD3 PRO B 20 3.470 -59.099 -9.881 1.00 0.00 H new ATOM 1174 N GLY B 21 1.014 -59.047 -13.688 1.00 0.00 N ATOM 1175 CA GLY B 21 -0.021 -59.238 -14.688 1.00 0.00 C ATOM 1176 C GLY B 21 -0.903 -58.016 -14.852 1.00 0.00 C ATOM 1177 O GLY B 21 -1.900 -58.056 -15.574 1.00 0.00 O ATOM 0 H GLY B 21 0.722 -59.230 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY B 21 0.443 -59.478 -15.645 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -0.638 -60.092 -14.409 1.00 0.00 H new ATOM 1181 N VAL B 22 -0.537 -56.929 -14.181 1.00 0.00 N ATOM 1182 CA VAL B 22 -1.306 -55.693 -14.255 1.00 0.00 C ATOM 1183 C VAL B 22 -1.598 -55.309 -15.701 1.00 0.00 C ATOM 1184 O VAL B 22 -0.727 -55.400 -16.566 1.00 0.00 O ATOM 1185 CB VAL B 22 -0.567 -54.530 -13.565 1.00 0.00 C ATOM 1186 CG1 VAL B 22 -0.365 -54.827 -12.087 1.00 0.00 C ATOM 1187 CG2 VAL B 22 0.765 -54.262 -14.251 1.00 0.00 C ATOM 0 H VAL B 22 0.286 -56.879 -13.581 1.00 0.00 H new ATOM 0 HA VAL B 22 -2.247 -55.876 -13.736 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.180 -53.633 -13.650 1.00 0.00 H new ATOM 0 HG11 VAL B 22 0.158 -53.994 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -1.334 -54.963 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.226 -55.736 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.273 -53.438 -13.750 1.00 0.00 H new ATOM 0 HG22 VAL B 22 1.387 -55.156 -14.200 1.00 0.00 H new ATOM 0 HG23 VAL B 22 0.591 -54.000 -15.295 1.00 0.00 H new ATOM 1197 N THR B 23 -2.829 -54.881 -15.955 1.00 0.00 N ATOM 1198 CA THR B 23 -3.240 -54.484 -17.296 1.00 0.00 C ATOM 1199 C THR B 23 -3.478 -52.979 -17.371 1.00 0.00 C ATOM 1200 O THR B 23 -3.312 -52.266 -16.383 1.00 0.00 O ATOM 1201 CB THR B 23 -4.522 -55.219 -17.730 1.00 0.00 C ATOM 1202 OG1 THR B 23 -5.593 -54.911 -16.831 1.00 0.00 O ATOM 1203 CG2 THR B 23 -4.297 -56.724 -17.759 1.00 0.00 C ATOM 0 H THR B 23 -3.561 -54.800 -15.249 1.00 0.00 H new ATOM 0 HA THR B 23 -2.429 -54.756 -17.972 1.00 0.00 H new ATOM 0 HB THR B 23 -4.784 -54.885 -18.734 1.00 0.00 H new ATOM 0 HG1 THR B 23 -6.083 -55.731 -16.613 1.00 0.00 H new ATOM 0 HG21 THR B 23 -5.215 -57.223 -18.068 1.00 0.00 H new ATOM 0 HG22 THR B 23 -3.501 -56.959 -18.465 1.00 0.00 H new ATOM 0 HG23 THR B 23 -4.014 -57.069 -16.765 1.00 0.00 H new ATOM 1211 N PRO B 24 -3.870 -52.480 -18.554 1.00 0.00 N ATOM 1212 CA PRO B 24 -4.126 -51.051 -18.763 1.00 0.00 C ATOM 1213 C PRO B 24 -5.043 -50.463 -17.696 1.00 0.00 C ATOM 1214 O PRO B 24 -4.737 -49.429 -17.102 1.00 0.00 O ATOM 1215 CB PRO B 24 -4.803 -51.013 -20.133 1.00 0.00 C ATOM 1216 CG PRO B 24 -4.292 -52.221 -20.840 1.00 0.00 C ATOM 1217 CD PRO B 24 -4.092 -53.269 -19.778 1.00 0.00 C ATOM 0 HA PRO B 24 -3.213 -50.459 -18.706 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -5.889 -51.038 -20.039 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -4.551 -50.101 -20.674 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -5.001 -52.561 -21.595 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -3.357 -52.005 -21.356 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -4.963 -53.918 -19.685 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -3.240 -53.910 -20.002 1.00 0.00 H new ATOM 1225 N SER B 25 -6.170 -51.126 -17.459 1.00 0.00 N ATOM 1226 CA SER B 25 -7.134 -50.664 -16.468 1.00 0.00 C ATOM 1227 C SER B 25 -6.634 -50.938 -15.052 1.00 0.00 C ATOM 1228 O SER B 25 -6.991 -50.232 -14.110 1.00 0.00 O ATOM 1229 CB SER B 25 -8.485 -51.347 -16.685 1.00 0.00 C ATOM 1230 OG SER B 25 -9.002 -51.060 -17.972 1.00 0.00 O ATOM 0 H SER B 25 -6.438 -51.985 -17.940 1.00 0.00 H new ATOM 0 HA SER B 25 -7.254 -49.587 -16.589 1.00 0.00 H new ATOM 0 HB2 SER B 25 -8.374 -52.425 -16.567 1.00 0.00 H new ATOM 0 HB3 SER B 25 -9.191 -51.014 -15.924 1.00 0.00 H new ATOM 0 HG SER B 25 -9.865 -51.510 -18.086 1.00 0.00 H new ATOM 1236 N GLN B 26 -5.808 -51.971 -14.911 1.00 0.00 N ATOM 1237 CA GLN B 26 -5.267 -52.344 -13.609 1.00 0.00 C ATOM 1238 C GLN B 26 -4.193 -51.358 -13.160 1.00 0.00 C ATOM 1239 O GLN B 26 -4.023 -51.111 -11.967 1.00 0.00 O ATOM 1240 CB GLN B 26 -4.688 -53.758 -13.661 1.00 0.00 C ATOM 1241 CG GLN B 26 -5.709 -54.821 -14.031 1.00 0.00 C ATOM 1242 CD GLN B 26 -6.858 -54.894 -13.045 1.00 0.00 C ATOM 1243 OE1 GLN B 26 -7.229 -53.894 -12.432 1.00 0.00 O ATOM 1244 NE2 GLN B 26 -7.428 -56.083 -12.887 1.00 0.00 N ATOM 0 H GLN B 26 -5.499 -52.564 -15.682 1.00 0.00 H new ATOM 0 HA GLN B 26 -6.082 -52.318 -12.885 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -3.873 -53.781 -14.385 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -4.258 -54.002 -12.689 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -6.102 -54.612 -15.026 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -5.216 -55.792 -14.081 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -7.088 -56.886 -13.416 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -8.206 -56.193 -12.236 1.00 0.00 H new ATOM 1253 N CYS B 27 -3.465 -50.803 -14.124 1.00 0.00 N ATOM 1254 CA CYS B 27 -2.393 -49.861 -13.826 1.00 0.00 C ATOM 1255 C CYS B 27 -2.946 -48.452 -13.639 1.00 0.00 C ATOM 1256 O CYS B 27 -2.704 -47.809 -12.617 1.00 0.00 O ATOM 1257 CB CYS B 27 -1.352 -49.872 -14.947 1.00 0.00 C ATOM 1258 SG CYS B 27 0.094 -48.809 -14.629 1.00 0.00 S ATOM 0 H CYS B 27 -3.598 -50.990 -15.118 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.916 -50.170 -12.896 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -1.010 -50.896 -15.101 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -1.828 -49.552 -15.874 1.00 0.00 H new ATOM 1263 N ALA B 28 -3.696 -47.980 -14.630 1.00 0.00 N ATOM 1264 CA ALA B 28 -4.299 -46.655 -14.569 1.00 0.00 C ATOM 1265 C ALA B 28 -5.133 -46.492 -13.302 1.00 0.00 C ATOM 1266 O ALA B 28 -5.133 -45.429 -12.681 1.00 0.00 O ATOM 1267 CB ALA B 28 -5.154 -46.408 -15.802 1.00 0.00 C ATOM 0 H ALA B 28 -3.900 -48.497 -15.485 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.497 -45.917 -14.543 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -5.599 -45.414 -15.743 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -4.533 -46.476 -16.695 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -5.945 -47.157 -15.853 1.00 0.00 H new ATOM 1273 N ASN B 29 -5.840 -47.553 -12.925 1.00 0.00 N ATOM 1274 CA ASN B 29 -6.670 -47.528 -11.727 1.00 0.00 C ATOM 1275 C ASN B 29 -5.881 -47.003 -10.532 1.00 0.00 C ATOM 1276 O ASN B 29 -6.435 -46.354 -9.646 1.00 0.00 O ATOM 1277 CB ASN B 29 -7.206 -48.929 -11.423 1.00 0.00 C ATOM 1278 CG ASN B 29 -8.079 -48.957 -10.183 1.00 0.00 C ATOM 1279 OD1 ASN B 29 -8.738 -47.973 -9.851 1.00 0.00 O ATOM 1280 ND2 ASN B 29 -8.086 -50.090 -9.490 1.00 0.00 N ATOM 0 H ASN B 29 -5.854 -48.439 -13.431 1.00 0.00 H new ATOM 0 HA ASN B 29 -7.510 -46.857 -11.910 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -7.780 -49.289 -12.277 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -6.369 -49.615 -11.290 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -8.654 -50.168 -8.646 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -7.524 -50.882 -9.802 1.00 0.00 H new ATOM 1287 N LYS B 30 -4.581 -47.281 -10.520 1.00 0.00 N ATOM 1288 CA LYS B 30 -3.710 -46.819 -9.447 1.00 0.00 C ATOM 1289 C LYS B 30 -2.957 -45.561 -9.865 1.00 0.00 C ATOM 1290 O LYS B 30 -2.564 -44.751 -9.025 1.00 0.00 O ATOM 1291 CB LYS B 30 -2.718 -47.918 -9.059 1.00 0.00 C ATOM 1292 CG LYS B 30 -1.770 -47.515 -7.942 1.00 0.00 C ATOM 1293 CD LYS B 30 -0.819 -48.646 -7.584 1.00 0.00 C ATOM 1294 CE LYS B 30 0.133 -48.241 -6.470 1.00 0.00 C ATOM 1295 NZ LYS B 30 -0.596 -47.870 -5.226 1.00 0.00 N ATOM 0 H LYS B 30 -4.108 -47.824 -11.242 1.00 0.00 H new ATOM 0 HA LYS B 30 -4.331 -46.580 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -3.273 -48.804 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -2.135 -48.196 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.197 -46.639 -8.248 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -2.345 -47.229 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.392 -49.520 -7.275 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.247 -48.935 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS B 30 0.816 -49.064 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS B 30 0.741 -47.398 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.075 -47.814 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.056 -46.946 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.317 -48.590 -5.019 1.00 0.00 H new ATOM 1309 N GLY B 31 -2.767 -45.398 -11.170 1.00 0.00 N ATOM 1310 CA GLY B 31 -2.087 -44.223 -11.682 1.00 0.00 C ATOM 1311 C GLY B 31 -0.594 -44.433 -11.836 1.00 0.00 C ATOM 1312 O GLY B 31 0.204 -43.807 -11.137 1.00 0.00 O ATOM 0 H GLY B 31 -3.072 -46.060 -11.883 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -2.514 -43.953 -12.648 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -2.264 -43.384 -11.010 1.00 0.00 H new ATOM 1316 N CYS B 32 -0.214 -45.309 -12.760 1.00 0.00 N ATOM 1317 CA CYS B 32 1.194 -45.583 -13.023 1.00 0.00 C ATOM 1318 C CYS B 32 1.409 -45.979 -14.480 1.00 0.00 C ATOM 1319 O CYS B 32 0.471 -46.382 -15.169 1.00 0.00 O ATOM 1320 CB CYS B 32 1.703 -46.693 -12.102 1.00 0.00 C ATOM 1321 SG CYS B 32 1.670 -46.268 -10.330 1.00 0.00 S ATOM 0 H CYS B 32 -0.862 -45.842 -13.340 1.00 0.00 H new ATOM 0 HA CYS B 32 1.757 -44.671 -12.825 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.100 -47.587 -12.261 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.725 -46.944 -12.385 1.00 0.00 H new ATOM 1326 N CYS B 33 2.649 -45.866 -14.943 1.00 0.00 N ATOM 1327 CA CYS B 33 2.990 -46.232 -16.312 1.00 0.00 C ATOM 1328 C CYS B 33 2.694 -47.706 -16.568 1.00 0.00 C ATOM 1329 O CYS B 33 2.684 -48.517 -15.642 1.00 0.00 O ATOM 1330 CB CYS B 33 4.466 -45.944 -16.589 1.00 0.00 C ATOM 1331 SG CYS B 33 4.937 -44.195 -16.391 1.00 0.00 S ATOM 0 H CYS B 33 3.435 -45.524 -14.390 1.00 0.00 H new ATOM 0 HA CYS B 33 2.378 -45.631 -16.985 1.00 0.00 H new ATOM 0 HB2 CYS B 33 5.075 -46.550 -15.918 1.00 0.00 H new ATOM 0 HB3 CYS B 33 4.701 -46.259 -17.606 1.00 0.00 H new ATOM 1336 N PHE B 34 2.459 -48.048 -17.830 1.00 0.00 N ATOM 1337 CA PHE B 34 2.181 -49.428 -18.207 1.00 0.00 C ATOM 1338 C PHE B 34 3.013 -49.840 -19.417 1.00 0.00 C ATOM 1339 O PHE B 34 2.879 -49.268 -20.498 1.00 0.00 O ATOM 1340 CB PHE B 34 0.692 -49.607 -18.512 1.00 0.00 C ATOM 1341 CG PHE B 34 0.320 -51.017 -18.873 1.00 0.00 C ATOM 1342 CD1 PHE B 34 0.434 -51.466 -20.179 1.00 0.00 C ATOM 1343 CD2 PHE B 34 -0.141 -51.895 -17.904 1.00 0.00 C ATOM 1344 CE1 PHE B 34 0.093 -52.763 -20.513 1.00 0.00 C ATOM 1345 CE2 PHE B 34 -0.483 -53.193 -18.232 1.00 0.00 C ATOM 1346 CZ PHE B 34 -0.366 -53.628 -19.539 1.00 0.00 C ATOM 0 H PHE B 34 2.456 -47.389 -18.608 1.00 0.00 H new ATOM 0 HA PHE B 34 2.452 -50.068 -17.367 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.111 -49.298 -17.643 1.00 0.00 H new ATOM 0 HB3 PHE B 34 0.415 -48.945 -19.333 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.793 -50.795 -20.945 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -0.234 -51.561 -16.881 1.00 0.00 H new ATOM 0 HE1 PHE B 34 0.185 -53.100 -21.535 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -0.841 -53.867 -17.468 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.633 -54.642 -19.798 1.00 0.00 H new ATOM 1356 N ASP B 35 3.875 -50.833 -19.225 1.00 0.00 N ATOM 1357 CA ASP B 35 4.737 -51.314 -20.299 1.00 0.00 C ATOM 1358 C ASP B 35 4.814 -52.837 -20.293 1.00 0.00 C ATOM 1359 O ASP B 35 5.745 -53.419 -19.735 1.00 0.00 O ATOM 1360 CB ASP B 35 6.139 -50.720 -20.159 1.00 0.00 C ATOM 1361 CG ASP B 35 7.078 -51.192 -21.252 1.00 0.00 C ATOM 1362 OD1 ASP B 35 6.893 -52.325 -21.745 1.00 0.00 O ATOM 1363 OD2 ASP B 35 7.998 -50.430 -21.614 1.00 0.00 O ATOM 0 H ASP B 35 3.995 -51.320 -18.337 1.00 0.00 H new ATOM 0 HA ASP B 35 4.307 -50.994 -21.248 1.00 0.00 H new ATOM 0 HB2 ASP B 35 6.074 -49.632 -20.184 1.00 0.00 H new ATOM 0 HB3 ASP B 35 6.551 -50.992 -19.187 1.00 0.00 H new ATOM 1368 N ASP B 36 3.830 -53.478 -20.917 1.00 0.00 N ATOM 1369 CA ASP B 36 3.788 -54.933 -20.983 1.00 0.00 C ATOM 1370 C ASP B 36 4.645 -55.451 -22.134 1.00 0.00 C ATOM 1371 O ASP B 36 4.152 -56.141 -23.026 1.00 0.00 O ATOM 1372 CB ASP B 36 2.345 -55.415 -21.149 1.00 0.00 C ATOM 1373 CG ASP B 36 1.699 -54.882 -22.413 1.00 0.00 C ATOM 1374 OD1 ASP B 36 2.072 -53.773 -22.848 1.00 0.00 O ATOM 1375 OD2 ASP B 36 0.819 -55.574 -22.967 1.00 0.00 O ATOM 0 H ASP B 36 3.052 -53.012 -21.384 1.00 0.00 H new ATOM 0 HA ASP B 36 4.190 -55.326 -20.049 1.00 0.00 H new ATOM 0 HB2 ASP B 36 2.329 -56.505 -21.168 1.00 0.00 H new ATOM 0 HB3 ASP B 36 1.759 -55.102 -20.285 1.00 0.00 H new ATOM 1380 N THR B 37 5.930 -55.113 -22.106 1.00 0.00 N ATOM 1381 CA THR B 37 6.855 -55.540 -23.149 1.00 0.00 C ATOM 1382 C THR B 37 7.891 -56.514 -22.599 1.00 0.00 C ATOM 1383 O THR B 37 8.449 -57.326 -23.338 1.00 0.00 O ATOM 1384 CB THR B 37 7.582 -54.340 -23.783 1.00 0.00 C ATOM 1385 OG1 THR B 37 8.333 -53.639 -22.785 1.00 0.00 O ATOM 1386 CG2 THR B 37 6.588 -53.391 -24.436 1.00 0.00 C ATOM 0 H THR B 37 6.354 -54.545 -21.373 1.00 0.00 H new ATOM 0 HA THR B 37 6.260 -56.039 -23.914 1.00 0.00 H new ATOM 0 HB THR B 37 8.260 -54.716 -24.549 1.00 0.00 H new ATOM 0 HG1 THR B 37 7.718 -53.174 -22.180 1.00 0.00 H new ATOM 0 HG21 THR B 37 7.124 -52.551 -24.877 1.00 0.00 H new ATOM 0 HG22 THR B 37 6.038 -53.920 -25.214 1.00 0.00 H new ATOM 0 HG23 THR B 37 5.890 -53.022 -23.685 1.00 0.00 H new ATOM 1394 N VAL B 38 8.147 -56.426 -21.297 1.00 0.00 N ATOM 1395 CA VAL B 38 9.122 -57.295 -20.651 1.00 0.00 C ATOM 1396 C VAL B 38 8.487 -58.081 -19.509 1.00 0.00 C ATOM 1397 O VAL B 38 7.993 -57.500 -18.542 1.00 0.00 O ATOM 1398 CB VAL B 38 10.317 -56.490 -20.104 1.00 0.00 C ATOM 1399 CG1 VAL B 38 11.321 -57.414 -19.433 1.00 0.00 C ATOM 1400 CG2 VAL B 38 10.976 -55.691 -21.218 1.00 0.00 C ATOM 0 H VAL B 38 7.693 -55.762 -20.670 1.00 0.00 H new ATOM 0 HA VAL B 38 9.479 -57.990 -21.411 1.00 0.00 H new ATOM 0 HB VAL B 38 9.948 -55.789 -19.355 1.00 0.00 H new ATOM 0 HG11 VAL B 38 12.158 -56.828 -19.053 1.00 0.00 H new ATOM 0 HG12 VAL B 38 10.839 -57.936 -18.607 1.00 0.00 H new ATOM 0 HG13 VAL B 38 11.687 -58.141 -20.158 1.00 0.00 H new ATOM 0 HG21 VAL B 38 11.818 -55.129 -20.814 1.00 0.00 H new ATOM 0 HG22 VAL B 38 11.332 -56.371 -21.992 1.00 0.00 H new ATOM 0 HG23 VAL B 38 10.251 -55.000 -21.648 1.00 0.00 H new ATOM 1410 N ARG B 39 8.504 -59.404 -19.628 1.00 0.00 N ATOM 1411 CA ARG B 39 7.930 -60.271 -18.606 1.00 0.00 C ATOM 1412 C ARG B 39 8.840 -60.346 -17.384 1.00 0.00 C ATOM 1413 O ARG B 39 9.886 -59.698 -17.335 1.00 0.00 O ATOM 1414 CB ARG B 39 7.698 -61.674 -19.168 1.00 0.00 C ATOM 1415 CG ARG B 39 7.104 -62.643 -18.160 1.00 0.00 C ATOM 1416 CD ARG B 39 6.908 -64.025 -18.763 1.00 0.00 C ATOM 1417 NE ARG B 39 6.013 -63.997 -19.916 1.00 0.00 N ATOM 1418 CZ ARG B 39 5.638 -65.084 -20.583 1.00 0.00 C ATOM 1419 NH1 ARG B 39 6.081 -66.278 -20.211 1.00 0.00 N ATOM 1420 NH2 ARG B 39 4.821 -64.979 -21.622 1.00 0.00 N ATOM 0 H ARG B 39 8.909 -59.899 -20.422 1.00 0.00 H new ATOM 0 HA ARG B 39 6.973 -59.847 -18.301 1.00 0.00 H new ATOM 0 HB2 ARG B 39 7.033 -61.606 -20.029 1.00 0.00 H new ATOM 0 HB3 ARG B 39 8.646 -62.073 -19.528 1.00 0.00 H new ATOM 0 HG2 ARG B 39 7.759 -62.713 -17.292 1.00 0.00 H new ATOM 0 HG3 ARG B 39 6.147 -62.260 -17.806 1.00 0.00 H new ATOM 0 HD2 ARG B 39 7.874 -64.430 -19.064 1.00 0.00 H new ATOM 0 HD3 ARG B 39 6.503 -64.697 -18.006 1.00 0.00 H new ATOM 0 HE ARG B 39 5.656 -63.094 -20.227 1.00 0.00 H new ATOM 0 HH11 ARG B 39 6.710 -66.363 -19.412 1.00 0.00 H new ATOM 0 HH12 ARG B 39 5.793 -67.111 -20.724 1.00 0.00 H new ATOM 0 HH21 ARG B 39 4.479 -64.063 -21.911 1.00 0.00 H new ATOM 0 HH22 ARG B 39 4.535 -65.815 -22.132 1.00 0.00 H new ATOM 1434 N GLY B 40 8.435 -61.141 -16.398 1.00 0.00 N ATOM 1435 CA GLY B 40 9.222 -61.280 -15.187 1.00 0.00 C ATOM 1436 C GLY B 40 9.192 -60.030 -14.331 1.00 0.00 C ATOM 1437 O GLY B 40 9.164 -60.111 -13.103 1.00 0.00 O ATOM 0 H GLY B 40 7.576 -61.691 -16.417 1.00 0.00 H new ATOM 0 HA2 GLY B 40 8.846 -62.123 -14.607 1.00 0.00 H new ATOM 0 HA3 GLY B 40 10.254 -61.511 -15.452 1.00 0.00 H new ATOM 1441 N VAL B 41 9.192 -58.870 -14.981 1.00 0.00 N ATOM 1442 CA VAL B 41 9.150 -57.597 -14.270 1.00 0.00 C ATOM 1443 C VAL B 41 7.736 -57.027 -14.249 1.00 0.00 C ATOM 1444 O VAL B 41 6.867 -57.468 -15.001 1.00 0.00 O ATOM 1445 CB VAL B 41 10.098 -56.565 -14.909 1.00 0.00 C ATOM 1446 CG1 VAL B 41 11.534 -57.069 -14.883 1.00 0.00 C ATOM 1447 CG2 VAL B 41 9.662 -56.248 -16.331 1.00 0.00 C ATOM 0 H VAL B 41 9.221 -58.785 -15.997 1.00 0.00 H new ATOM 0 HA VAL B 41 9.475 -57.794 -13.249 1.00 0.00 H new ATOM 0 HB VAL B 41 10.050 -55.646 -14.326 1.00 0.00 H new ATOM 0 HG11 VAL B 41 12.189 -56.326 -15.339 1.00 0.00 H new ATOM 0 HG12 VAL B 41 11.841 -57.239 -13.851 1.00 0.00 H new ATOM 0 HG13 VAL B 41 11.602 -58.003 -15.440 1.00 0.00 H new ATOM 0 HG21 VAL B 41 10.344 -55.517 -16.766 1.00 0.00 H new ATOM 0 HG22 VAL B 41 9.678 -57.160 -16.928 1.00 0.00 H new ATOM 0 HG23 VAL B 41 8.651 -55.840 -16.319 1.00 0.00 H new ATOM 1457 N PRO B 42 7.492 -56.034 -13.383 1.00 0.00 N ATOM 1458 CA PRO B 42 6.179 -55.392 -13.261 1.00 0.00 C ATOM 1459 C PRO B 42 5.820 -54.576 -14.499 1.00 0.00 C ATOM 1460 O PRO B 42 6.619 -53.775 -14.981 1.00 0.00 O ATOM 1461 CB PRO B 42 6.339 -54.477 -12.044 1.00 0.00 C ATOM 1462 CG PRO B 42 7.803 -54.210 -11.958 1.00 0.00 C ATOM 1463 CD PRO B 42 8.480 -55.457 -12.454 1.00 0.00 C ATOM 0 HA PRO B 42 5.376 -56.122 -13.156 1.00 0.00 H new ATOM 0 HB2 PRO B 42 5.775 -53.553 -12.167 1.00 0.00 H new ATOM 0 HB3 PRO B 42 5.970 -54.957 -11.137 1.00 0.00 H new ATOM 0 HG2 PRO B 42 8.079 -53.348 -12.565 1.00 0.00 H new ATOM 0 HG3 PRO B 42 8.099 -53.986 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO B 42 9.420 -55.231 -12.957 1.00 0.00 H new ATOM 0 HD3 PRO B 42 8.711 -56.141 -11.637 1.00 0.00 H new ATOM 1471 N TRP B 43 4.612 -54.790 -15.011 1.00 0.00 N ATOM 1472 CA TRP B 43 4.151 -54.082 -16.199 1.00 0.00 C ATOM 1473 C TRP B 43 3.710 -52.664 -15.849 1.00 0.00 C ATOM 1474 O TRP B 43 3.616 -51.800 -16.720 1.00 0.00 O ATOM 1475 CB TRP B 43 2.995 -54.838 -16.856 1.00 0.00 C ATOM 1476 CG TRP B 43 3.356 -56.233 -17.269 1.00 0.00 C ATOM 1477 CD1 TRP B 43 4.612 -56.752 -17.397 1.00 0.00 C ATOM 1478 CD2 TRP B 43 2.450 -57.287 -17.613 1.00 0.00 C ATOM 1479 NE1 TRP B 43 4.543 -58.064 -17.796 1.00 0.00 N ATOM 1480 CE2 TRP B 43 3.227 -58.416 -17.936 1.00 0.00 C ATOM 1481 CE3 TRP B 43 1.057 -57.387 -17.678 1.00 0.00 C ATOM 1482 CZ2 TRP B 43 2.656 -59.628 -18.316 1.00 0.00 C ATOM 1483 CZ3 TRP B 43 0.492 -58.590 -18.056 1.00 0.00 C ATOM 1484 CH2 TRP B 43 1.290 -59.697 -18.371 1.00 0.00 C ATOM 0 H TRP B 43 3.936 -55.447 -14.622 1.00 0.00 H new ATOM 0 HA TRP B 43 4.983 -54.024 -16.901 1.00 0.00 H new ATOM 0 HB2 TRP B 43 2.155 -54.878 -16.162 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.658 -54.283 -17.732 1.00 0.00 H new ATOM 0 HD1 TRP B 43 5.527 -56.209 -17.211 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.342 -58.677 -17.961 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.433 -56.539 -17.437 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 3.269 -60.483 -18.559 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -0.583 -58.678 -18.109 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.818 -60.624 -18.663 1.00 0.00 H new ATOM 1495 N CYS B 44 3.440 -52.434 -14.568 1.00 0.00 N ATOM 1496 CA CYS B 44 3.006 -51.122 -14.102 1.00 0.00 C ATOM 1497 C CYS B 44 3.965 -50.576 -13.048 1.00 0.00 C ATOM 1498 O CYS B 44 4.222 -51.224 -12.035 1.00 0.00 O ATOM 1499 CB CYS B 44 1.591 -51.206 -13.528 1.00 0.00 C ATOM 1500 SG CYS B 44 0.921 -49.610 -12.958 1.00 0.00 S ATOM 0 H CYS B 44 3.514 -53.139 -13.834 1.00 0.00 H new ATOM 0 HA CYS B 44 3.005 -50.441 -14.953 1.00 0.00 H new ATOM 0 HB2 CYS B 44 0.926 -51.616 -14.288 1.00 0.00 H new ATOM 0 HB3 CYS B 44 1.591 -51.907 -12.693 1.00 0.00 H new ATOM 1505 N PHE B 45 4.493 -49.382 -13.298 1.00 0.00 N ATOM 1506 CA PHE B 45 5.432 -48.755 -12.375 1.00 0.00 C ATOM 1507 C PHE B 45 5.203 -47.249 -12.305 1.00 0.00 C ATOM 1508 O PHE B 45 4.442 -46.689 -13.094 1.00 0.00 O ATOM 1509 CB PHE B 45 6.871 -49.044 -12.805 1.00 0.00 C ATOM 1510 CG PHE B 45 7.198 -48.540 -14.182 1.00 0.00 C ATOM 1511 CD1 PHE B 45 6.832 -49.265 -15.305 1.00 0.00 C ATOM 1512 CD2 PHE B 45 7.870 -47.340 -14.354 1.00 0.00 C ATOM 1513 CE1 PHE B 45 7.131 -48.803 -16.573 1.00 0.00 C ATOM 1514 CE2 PHE B 45 8.171 -46.873 -15.619 1.00 0.00 C ATOM 1515 CZ PHE B 45 7.801 -47.605 -16.730 1.00 0.00 C ATOM 0 H PHE B 45 4.287 -48.830 -14.131 1.00 0.00 H new ATOM 0 HA PHE B 45 5.264 -49.176 -11.384 1.00 0.00 H new ATOM 0 HB2 PHE B 45 7.554 -48.588 -12.088 1.00 0.00 H new ATOM 0 HB3 PHE B 45 7.043 -50.120 -12.770 1.00 0.00 H new ATOM 0 HD1 PHE B 45 6.307 -50.202 -15.188 1.00 0.00 H new ATOM 0 HD2 PHE B 45 8.162 -46.763 -13.489 1.00 0.00 H new ATOM 0 HE1 PHE B 45 6.841 -49.378 -17.440 1.00 0.00 H new ATOM 0 HE2 PHE B 45 8.695 -45.936 -15.739 1.00 0.00 H new ATOM 0 HZ PHE B 45 8.035 -47.242 -17.720 1.00 0.00 H new ATOM 1525 N TYR B 46 5.867 -46.600 -11.353 1.00 0.00 N ATOM 1526 CA TYR B 46 5.733 -45.159 -11.175 1.00 0.00 C ATOM 1527 C TYR B 46 6.598 -44.404 -12.181 1.00 0.00 C ATOM 1528 O TYR B 46 7.601 -44.927 -12.666 1.00 0.00 O ATOM 1529 CB TYR B 46 6.125 -44.762 -9.750 1.00 0.00 C ATOM 1530 CG TYR B 46 5.283 -45.427 -8.684 1.00 0.00 C ATOM 1531 CD1 TYR B 46 5.642 -46.660 -8.158 1.00 0.00 C ATOM 1532 CD2 TYR B 46 4.130 -44.818 -8.204 1.00 0.00 C ATOM 1533 CE1 TYR B 46 4.875 -47.270 -7.183 1.00 0.00 C ATOM 1534 CE2 TYR B 46 3.358 -45.422 -7.228 1.00 0.00 C ATOM 1535 CZ TYR B 46 3.735 -46.647 -6.722 1.00 0.00 C ATOM 1536 OH TYR B 46 2.970 -47.251 -5.751 1.00 0.00 O ATOM 0 H TYR B 46 6.503 -47.049 -10.694 1.00 0.00 H new ATOM 0 HA TYR B 46 4.690 -44.892 -11.346 1.00 0.00 H new ATOM 0 HB2 TYR B 46 7.172 -45.016 -9.586 1.00 0.00 H new ATOM 0 HB3 TYR B 46 6.040 -43.680 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR B 46 6.535 -47.151 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR B 46 3.832 -43.858 -8.599 1.00 0.00 H new ATOM 0 HE1 TYR B 46 5.168 -48.230 -6.784 1.00 0.00 H new ATOM 0 HE2 TYR B 46 2.465 -44.936 -6.865 1.00 0.00 H new ATOM 0 HH TYR B 46 2.351 -46.595 -5.367 1.00 0.00 H new ATOM 1546 N PRO B 47 6.216 -43.158 -12.498 1.00 0.00 N ATOM 1547 CA PRO B 47 6.960 -42.318 -13.440 1.00 0.00 C ATOM 1548 C PRO B 47 8.308 -41.877 -12.879 1.00 0.00 C ATOM 1549 O PRO B 47 8.744 -42.362 -11.834 1.00 0.00 O ATOM 1550 CB PRO B 47 6.043 -41.110 -13.643 1.00 0.00 C ATOM 1551 CG PRO B 47 5.217 -41.048 -12.405 1.00 0.00 C ATOM 1552 CD PRO B 47 5.028 -42.472 -11.959 1.00 0.00 C ATOM 0 HA PRO B 47 7.195 -42.849 -14.363 1.00 0.00 H new ATOM 0 HB2 PRO B 47 6.619 -40.195 -13.781 1.00 0.00 H new ATOM 0 HB3 PRO B 47 5.420 -41.231 -14.529 1.00 0.00 H new ATOM 0 HG2 PRO B 47 5.715 -40.461 -11.633 1.00 0.00 H new ATOM 0 HG3 PRO B 47 4.257 -40.570 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO B 47 4.977 -42.550 -10.873 1.00 0.00 H new ATOM 0 HD3 PRO B 47 4.105 -42.897 -12.353 1.00 0.00 H new