USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 832 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 55 HIS : no HD1:sc= 0.859 K(o=-2.4,f=-10) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -159:sc= -3.22! (180deg=-7.26!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.14 K(o=-2.3,f=-7.4!) USER MOD Set 2.2: A 54 SER OG : rot 110:sc= 0.844 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0154 (180deg=-0.236) USER MOD Single : A 13 THR OG1 : rot 61:sc= -0.798 USER MOD Single : A 20 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.94) USER MOD Single : A 25 THR OG1 : rot 0:sc= 0.682! USER MOD Single : A 26 THR OG1 : rot -96:sc= 0.969 USER MOD Single : A 27 ASN : amide:sc= -5.15! C(o=-5.2!,f=-4.3!) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.265 (180deg=-1.49!) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= -0.282 (180deg=-0.313) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -110:sc= -0.011 USER MOD Single : A 56 TYR OH : rot -102:sc= 1.53 USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000296) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -48:sc= -0.942 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00731 (180deg=-0.195) USER MOD Single : A 76 THR OG1 : rot -27:sc= -3.38! USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 0.0997 (180deg=0.0446) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.26! C(o=-8.3!,f=-2.8!) USER MOD Single : A 95 MET CE :methyl 154:sc= -1.59 (180deg=-2.86) USER MOD Single : A 98 HIS : no HD1:sc= 0.158 K(o=0.16,f=-5.4!) USER MOD Single : A 103 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -15.949 -8.449 -12.811 1.00 0.00 N ATOM 60 CA PRO A 5 -15.650 -8.676 -11.360 1.00 0.00 C ATOM 61 C PRO A 5 -16.602 -7.891 -10.456 1.00 0.00 C ATOM 62 O PRO A 5 -17.540 -8.449 -9.889 1.00 0.00 O ATOM 63 CB PRO A 5 -14.189 -8.201 -11.191 1.00 0.00 C ATOM 64 CG PRO A 5 -13.593 -8.233 -12.569 1.00 0.00 C ATOM 65 CD PRO A 5 -14.747 -8.032 -13.559 1.00 0.00 C ATOM 0 HA PRO A 5 -15.782 -9.719 -11.073 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.150 -7.196 -10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.641 -8.853 -10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.845 -7.449 -12.684 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.090 -9.183 -12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.819 -6.993 -13.880 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.609 -8.634 -14.457 1.00 0.00 H new ATOM 73 N ARG A 6 -16.345 -6.593 -10.346 1.00 0.00 N ATOM 74 CA ARG A 6 -17.146 -5.695 -9.535 1.00 0.00 C ATOM 75 C ARG A 6 -17.131 -4.331 -10.203 1.00 0.00 C ATOM 76 O ARG A 6 -18.157 -3.826 -10.656 1.00 0.00 O ATOM 77 CB ARG A 6 -16.548 -5.606 -8.114 1.00 0.00 C ATOM 78 CG ARG A 6 -17.186 -6.670 -7.201 1.00 0.00 C ATOM 79 CD ARG A 6 -16.232 -7.034 -6.061 1.00 0.00 C ATOM 80 NE ARG A 6 -15.177 -7.902 -6.567 1.00 0.00 N ATOM 81 CZ ARG A 6 -14.471 -8.676 -5.750 1.00 0.00 C ATOM 82 NH1 ARG A 6 -14.727 -8.680 -4.471 1.00 0.00 N ATOM 83 NH2 ARG A 6 -13.529 -9.442 -6.229 1.00 0.00 N ATOM 0 H ARG A 6 -15.568 -6.134 -10.822 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.170 -6.058 -9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.469 -5.752 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.719 -4.612 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.124 -6.293 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.426 -7.561 -7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.799 -6.130 -5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.778 -7.536 -5.262 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.977 -7.916 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.470 -8.089 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.185 -9.274 -3.844 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.335 -9.446 -7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.987 -10.036 -5.602 1.00 0.00 H new ATOM 97 N LYS A 7 -15.935 -3.768 -10.289 1.00 0.00 N ATOM 98 CA LYS A 7 -15.738 -2.487 -10.936 1.00 0.00 C ATOM 99 C LYS A 7 -14.256 -2.138 -10.929 1.00 0.00 C ATOM 100 O LYS A 7 -13.707 -1.754 -9.908 1.00 0.00 O ATOM 101 CB LYS A 7 -16.559 -1.390 -10.229 1.00 0.00 C ATOM 102 CG LYS A 7 -16.208 0.017 -10.759 1.00 0.00 C ATOM 103 CD LYS A 7 -16.719 0.208 -12.197 1.00 0.00 C ATOM 104 CE LYS A 7 -16.149 1.500 -12.776 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.632 2.660 -11.979 1.00 0.00 N ATOM 0 H LYS A 7 -15.083 -4.185 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.084 -2.551 -11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.622 -1.579 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.373 -1.431 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.647 0.774 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.128 0.161 -10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.423 -0.640 -12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.808 0.244 -12.205 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.060 1.466 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.453 1.609 -13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.462 3.539 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.651 2.557 -11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.121 2.696 -11.074 1.00 0.00 H new ATOM 119 N ARG A 8 -13.611 -2.279 -12.072 1.00 0.00 N ATOM 120 CA ARG A 8 -12.193 -1.970 -12.175 1.00 0.00 C ATOM 121 C ARG A 8 -11.967 -0.459 -12.259 1.00 0.00 C ATOM 122 O ARG A 8 -12.509 0.211 -13.138 1.00 0.00 O ATOM 123 CB ARG A 8 -11.586 -2.662 -13.407 1.00 0.00 C ATOM 124 CG ARG A 8 -10.115 -2.265 -13.576 1.00 0.00 C ATOM 125 CD ARG A 8 -9.508 -3.062 -14.732 1.00 0.00 C ATOM 126 NE ARG A 8 -9.449 -4.482 -14.397 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.429 -4.985 -13.710 1.00 0.00 C ATOM 128 NH1 ARG A 8 -7.454 -4.206 -13.329 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.399 -6.257 -13.421 1.00 0.00 N ATOM 0 H ARG A 8 -14.041 -2.603 -12.938 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.699 -2.342 -11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.667 -3.744 -13.300 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.148 -2.387 -14.300 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.035 -1.196 -13.774 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.565 -2.461 -12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.104 -2.919 -15.633 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.506 -2.692 -14.951 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.204 -5.099 -14.696 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.476 -3.212 -13.559 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.670 -4.591 -12.802 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.159 -6.867 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.615 -6.642 -12.894 1.00 0.00 H new ATOM 143 N VAL A 9 -11.155 0.074 -11.337 1.00 0.00 N ATOM 144 CA VAL A 9 -10.856 1.521 -11.323 1.00 0.00 C ATOM 145 C VAL A 9 -9.420 1.773 -11.750 1.00 0.00 C ATOM 146 O VAL A 9 -8.491 1.134 -11.257 1.00 0.00 O ATOM 147 CB VAL A 9 -11.025 2.107 -9.914 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.253 3.627 -9.959 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.205 1.440 -9.216 1.00 0.00 C ATOM 0 H VAL A 9 -10.697 -0.461 -10.599 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.553 1.996 -12.013 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.106 1.915 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.368 4.008 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.398 4.109 -10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.155 3.843 -10.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.321 1.859 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.114 1.616 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.025 0.368 -9.141 1.00 0.00 H new ATOM 159 N ALA A 10 -9.244 2.728 -12.640 1.00 0.00 N ATOM 160 CA ALA A 10 -7.912 3.089 -13.100 1.00 0.00 C ATOM 161 C ALA A 10 -7.377 4.249 -12.252 1.00 0.00 C ATOM 162 O ALA A 10 -7.505 5.408 -12.639 1.00 0.00 O ATOM 163 CB ALA A 10 -7.973 3.518 -14.568 1.00 0.00 C ATOM 0 H ALA A 10 -10.001 3.268 -13.060 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.250 2.228 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.974 3.788 -14.910 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.353 2.694 -15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.635 4.378 -14.669 1.00 0.00 H new ATOM 169 N LEU A 11 -6.802 3.944 -11.081 1.00 0.00 N ATOM 170 CA LEU A 11 -6.289 5.001 -10.193 1.00 0.00 C ATOM 171 C LEU A 11 -4.774 5.178 -10.372 1.00 0.00 C ATOM 172 O LEU A 11 -4.000 4.263 -10.108 1.00 0.00 O ATOM 173 CB LEU A 11 -6.602 4.608 -8.739 1.00 0.00 C ATOM 174 CG LEU A 11 -6.688 5.867 -7.838 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.973 5.491 -6.363 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.366 6.640 -7.910 1.00 0.00 C ATOM 0 H LEU A 11 -6.681 2.994 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.769 5.948 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.544 4.061 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.829 3.938 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.510 6.484 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.027 6.398 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.921 4.957 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.172 4.853 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.427 7.525 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.552 6.002 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.178 6.943 -8.940 1.00 0.00 H new ATOM 188 N PHE A 12 -4.358 6.362 -10.828 1.00 0.00 N ATOM 189 CA PHE A 12 -2.940 6.637 -11.039 1.00 0.00 C ATOM 190 C PHE A 12 -2.372 7.359 -9.828 1.00 0.00 C ATOM 191 O PHE A 12 -2.663 8.534 -9.604 1.00 0.00 O ATOM 192 CB PHE A 12 -2.757 7.530 -12.267 1.00 0.00 C ATOM 193 CG PHE A 12 -3.663 7.050 -13.378 1.00 0.00 C ATOM 194 CD1 PHE A 12 -4.971 7.544 -13.472 1.00 0.00 C ATOM 195 CD2 PHE A 12 -3.202 6.113 -14.310 1.00 0.00 C ATOM 196 CE1 PHE A 12 -5.816 7.101 -14.497 1.00 0.00 C ATOM 197 CE2 PHE A 12 -4.048 5.670 -15.336 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.355 6.165 -15.428 1.00 0.00 C ATOM 0 H PHE A 12 -4.979 7.138 -11.056 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.420 5.691 -11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.989 8.565 -12.015 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.718 7.507 -12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.328 8.267 -12.753 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.194 5.731 -14.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.824 7.482 -14.568 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.692 4.947 -16.055 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.007 5.824 -16.218 1.00 0.00 H new ATOM 208 N THR A 13 -1.558 6.661 -9.065 1.00 0.00 N ATOM 209 CA THR A 13 -0.948 7.264 -7.887 1.00 0.00 C ATOM 210 C THR A 13 -0.012 8.384 -8.344 1.00 0.00 C ATOM 211 O THR A 13 1.190 8.180 -8.518 1.00 0.00 O ATOM 212 CB THR A 13 -0.183 6.184 -7.072 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.282 4.938 -7.746 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.783 6.035 -5.664 1.00 0.00 C ATOM 0 H THR A 13 -1.302 5.688 -9.231 1.00 0.00 H new ATOM 0 HA THR A 13 -1.714 7.685 -7.236 1.00 0.00 H new ATOM 0 HB THR A 13 0.859 6.490 -6.981 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.120 5.015 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.232 5.274 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.714 6.987 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.829 5.739 -5.744 1.00 0.00 H new ATOM 222 N ASP A 14 -0.588 9.567 -8.567 1.00 0.00 N ATOM 223 CA ASP A 14 0.175 10.725 -9.035 1.00 0.00 C ATOM 224 C ASP A 14 0.186 11.835 -7.981 1.00 0.00 C ATOM 225 O ASP A 14 -0.173 12.977 -8.268 1.00 0.00 O ATOM 226 CB ASP A 14 -0.453 11.240 -10.335 1.00 0.00 C ATOM 227 CG ASP A 14 -1.783 11.930 -10.042 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.474 11.482 -9.141 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.091 12.895 -10.722 1.00 0.00 O ATOM 0 H ASP A 14 -1.582 9.748 -8.431 1.00 0.00 H new ATOM 0 HA ASP A 14 1.207 10.423 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.227 11.938 -10.824 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.610 10.411 -11.025 1.00 0.00 H new ATOM 234 N GLY A 15 0.595 11.481 -6.760 1.00 0.00 N ATOM 235 CA GLY A 15 0.651 12.434 -5.647 1.00 0.00 C ATOM 236 C GLY A 15 0.997 13.840 -6.130 1.00 0.00 C ATOM 237 O GLY A 15 0.110 14.618 -6.482 1.00 0.00 O ATOM 0 H GLY A 15 0.894 10.537 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.310 12.451 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.395 12.104 -4.922 1.00 0.00 H new ATOM 241 N ALA A 16 2.290 14.151 -6.155 1.00 0.00 N ATOM 242 CA ALA A 16 2.744 15.461 -6.611 1.00 0.00 C ATOM 243 C ALA A 16 4.267 15.508 -6.641 1.00 0.00 C ATOM 244 O ALA A 16 4.871 15.802 -7.673 1.00 0.00 O ATOM 245 CB ALA A 16 2.214 16.559 -5.686 1.00 0.00 C ATOM 0 H ALA A 16 3.037 13.519 -5.867 1.00 0.00 H new ATOM 0 HA ALA A 16 2.360 15.628 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.561 17.530 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.124 16.541 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.579 16.389 -4.673 1.00 0.00 H new ATOM 251 N ALA A 17 4.881 15.211 -5.501 1.00 0.00 N ATOM 252 CA ALA A 17 6.336 15.211 -5.396 1.00 0.00 C ATOM 253 C ALA A 17 6.874 16.638 -5.292 1.00 0.00 C ATOM 254 O ALA A 17 7.224 17.260 -6.295 1.00 0.00 O ATOM 255 CB ALA A 17 6.945 14.485 -6.608 1.00 0.00 C ATOM 0 H ALA A 17 4.395 14.968 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 17 6.622 14.681 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.032 14.488 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.585 13.456 -6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.650 14.996 -7.524 1.00 0.00 H new ATOM 261 N LEU A 18 6.928 17.139 -4.063 1.00 0.00 N ATOM 262 CA LEU A 18 7.411 18.491 -3.801 1.00 0.00 C ATOM 263 C LEU A 18 7.400 18.787 -2.311 1.00 0.00 C ATOM 264 O LEU A 18 7.534 19.938 -1.896 1.00 0.00 O ATOM 265 CB LEU A 18 6.530 19.521 -4.528 1.00 0.00 C ATOM 266 CG LEU A 18 5.028 19.331 -4.156 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.628 20.211 -2.956 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.143 19.724 -5.348 1.00 0.00 C ATOM 0 H LEU A 18 6.642 16.627 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 18 8.434 18.561 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.849 20.529 -4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.658 19.418 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 18 4.887 18.282 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.575 20.053 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.234 19.943 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.792 21.260 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.094 19.589 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.321 20.768 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.384 19.094 -6.204 1.00 0.00 H new ATOM 280 N GLY A 19 7.205 17.752 -1.513 1.00 0.00 N ATOM 281 CA GLY A 19 7.134 17.920 -0.077 1.00 0.00 C ATOM 282 C GLY A 19 8.290 18.762 0.419 1.00 0.00 C ATOM 283 O GLY A 19 9.360 18.782 -0.191 1.00 0.00 O ATOM 0 H GLY A 19 7.094 16.791 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.190 18.394 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.152 16.945 0.410 1.00 0.00 H new ATOM 287 N ASN A 20 8.079 19.439 1.545 1.00 0.00 N ATOM 288 CA ASN A 20 9.140 20.260 2.131 1.00 0.00 C ATOM 289 C ASN A 20 10.470 19.492 2.055 1.00 0.00 C ATOM 290 O ASN A 20 11.474 20.032 1.593 1.00 0.00 O ATOM 291 CB ASN A 20 8.793 20.654 3.596 1.00 0.00 C ATOM 292 CG ASN A 20 8.948 22.161 3.815 1.00 0.00 C ATOM 293 OD1 ASN A 20 9.780 22.800 3.173 1.00 0.00 O ATOM 294 ND2 ASN A 20 8.191 22.765 4.692 1.00 0.00 N ATOM 0 H ASN A 20 7.201 19.438 2.064 1.00 0.00 H new ATOM 0 HA ASN A 20 9.235 21.187 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.770 20.354 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.444 20.115 4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.289 23.769 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.502 22.233 5.223 1.00 0.00 H new ATOM 301 N PRO A 21 10.481 18.234 2.450 1.00 0.00 N ATOM 302 CA PRO A 21 11.701 17.375 2.369 1.00 0.00 C ATOM 303 C PRO A 21 12.122 17.221 0.922 1.00 0.00 C ATOM 304 O PRO A 21 13.274 17.454 0.553 1.00 0.00 O ATOM 305 CB PRO A 21 11.234 16.022 2.949 1.00 0.00 C ATOM 306 CG PRO A 21 10.054 16.370 3.780 1.00 0.00 C ATOM 307 CD PRO A 21 9.356 17.475 3.004 1.00 0.00 C ATOM 0 HA PRO A 21 12.557 17.785 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.971 15.319 2.158 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.017 15.553 3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.400 15.510 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.353 16.709 4.772 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.711 17.076 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.730 18.091 3.650 1.00 0.00 H new ATOM 315 N GLY A 22 11.148 16.810 0.112 1.00 0.00 N ATOM 316 CA GLY A 22 11.354 16.595 -1.308 1.00 0.00 C ATOM 317 C GLY A 22 10.856 15.201 -1.712 1.00 0.00 C ATOM 318 O GLY A 22 10.578 14.366 -0.851 1.00 0.00 O ATOM 0 H GLY A 22 10.197 16.619 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.824 17.358 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.413 16.695 -1.548 1.00 0.00 H new ATOM 322 N PRO A 23 10.767 14.922 -2.992 1.00 0.00 N ATOM 323 CA PRO A 23 10.323 13.583 -3.504 1.00 0.00 C ATOM 324 C PRO A 23 11.109 12.436 -2.876 1.00 0.00 C ATOM 325 O PRO A 23 10.764 11.265 -3.035 1.00 0.00 O ATOM 326 CB PRO A 23 10.645 13.671 -4.994 1.00 0.00 C ATOM 327 CG PRO A 23 10.530 15.107 -5.330 1.00 0.00 C ATOM 328 CD PRO A 23 11.063 15.845 -4.108 1.00 0.00 C ATOM 0 HA PRO A 23 9.277 13.380 -3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.647 13.296 -5.203 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.951 13.072 -5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.108 15.351 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.496 15.382 -5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.132 16.043 -4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.570 16.808 -3.974 1.00 0.00 H new ATOM 336 N GLY A 24 12.194 12.811 -2.221 1.00 0.00 N ATOM 337 CA GLY A 24 13.119 11.871 -1.585 1.00 0.00 C ATOM 338 C GLY A 24 12.426 10.692 -0.886 1.00 0.00 C ATOM 339 O GLY A 24 13.104 9.759 -0.464 1.00 0.00 O ATOM 0 H GLY A 24 12.466 13.788 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.802 11.482 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.723 12.409 -0.855 1.00 0.00 H new ATOM 343 N THR A 25 11.091 10.737 -0.804 1.00 0.00 N ATOM 344 CA THR A 25 10.281 9.671 -0.195 1.00 0.00 C ATOM 345 C THR A 25 8.897 10.196 0.188 1.00 0.00 C ATOM 346 O THR A 25 8.025 9.428 0.599 1.00 0.00 O ATOM 347 CB THR A 25 10.951 9.090 1.054 1.00 0.00 C ATOM 348 OG1 THR A 25 10.025 8.233 1.711 1.00 0.00 O ATOM 349 CG2 THR A 25 11.385 10.210 2.026 1.00 0.00 C ATOM 0 H THR A 25 10.538 11.517 -1.159 1.00 0.00 H new ATOM 0 HA THR A 25 10.186 8.882 -0.941 1.00 0.00 H new ATOM 0 HB THR A 25 11.840 8.538 0.751 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.184 8.214 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.857 9.768 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.094 10.871 1.527 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.511 10.783 2.335 1.00 0.00 H new ATOM 357 N THR A 26 8.685 11.501 0.041 1.00 0.00 N ATOM 358 CA THR A 26 7.403 12.089 0.362 1.00 0.00 C ATOM 359 C THR A 26 6.395 11.810 -0.735 1.00 0.00 C ATOM 360 O THR A 26 5.225 11.593 -0.468 1.00 0.00 O ATOM 361 CB THR A 26 7.545 13.588 0.552 1.00 0.00 C ATOM 362 OG1 THR A 26 8.204 14.149 -0.574 1.00 0.00 O ATOM 363 CG2 THR A 26 8.356 13.862 1.812 1.00 0.00 C ATOM 0 H THR A 26 9.385 12.162 -0.297 1.00 0.00 H new ATOM 0 HA THR A 26 7.047 11.640 1.289 1.00 0.00 H new ATOM 0 HB THR A 26 6.558 14.039 0.651 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.161 14.236 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.460 14.938 1.951 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.846 13.432 2.674 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.344 13.412 1.714 1.00 0.00 H new ATOM 371 N ASN A 27 6.865 11.815 -1.965 1.00 0.00 N ATOM 372 CA ASN A 27 5.999 11.560 -3.105 1.00 0.00 C ATOM 373 C ASN A 27 5.386 10.186 -2.965 1.00 0.00 C ATOM 374 O ASN A 27 4.191 9.989 -3.165 1.00 0.00 O ATOM 375 CB ASN A 27 6.818 11.588 -4.388 1.00 0.00 C ATOM 376 CG ASN A 27 5.907 11.451 -5.606 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.392 11.389 -6.736 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.612 11.395 -5.448 1.00 0.00 N ATOM 0 H ASN A 27 7.841 11.992 -2.204 1.00 0.00 H new ATOM 0 HA ASN A 27 5.222 12.324 -3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.378 12.521 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.547 10.778 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.003 11.300 -6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.210 11.446 -4.512 1.00 0.00 H new ATOM 385 N ASN A 28 6.236 9.245 -2.604 1.00 0.00 N ATOM 386 CA ASN A 28 5.809 7.872 -2.417 1.00 0.00 C ATOM 387 C ASN A 28 4.817 7.810 -1.264 1.00 0.00 C ATOM 388 O ASN A 28 3.789 7.139 -1.343 1.00 0.00 O ATOM 389 CB ASN A 28 7.023 6.999 -2.109 1.00 0.00 C ATOM 390 CG ASN A 28 8.096 7.210 -3.176 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.140 6.493 -4.172 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.962 8.171 -3.028 1.00 0.00 N ATOM 0 H ASN A 28 7.229 9.406 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 28 5.330 7.506 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.421 7.248 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.729 5.950 -2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.676 8.328 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.926 8.767 -2.201 1.00 0.00 H new ATOM 399 N ARG A 29 5.125 8.550 -0.202 1.00 0.00 N ATOM 400 CA ARG A 29 4.269 8.624 0.953 1.00 0.00 C ATOM 401 C ARG A 29 2.976 9.339 0.570 1.00 0.00 C ATOM 402 O ARG A 29 1.888 8.957 0.993 1.00 0.00 O ATOM 403 CB ARG A 29 5.014 9.382 2.045 1.00 0.00 C ATOM 404 CG ARG A 29 4.197 9.413 3.310 1.00 0.00 C ATOM 405 CD ARG A 29 4.944 10.232 4.364 1.00 0.00 C ATOM 406 NE ARG A 29 4.114 10.381 5.546 1.00 0.00 N ATOM 407 CZ ARG A 29 4.589 10.921 6.667 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.832 11.315 6.728 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.811 11.060 7.706 1.00 0.00 N ATOM 0 H ARG A 29 5.975 9.109 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 29 4.012 7.630 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.976 8.906 2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.223 10.399 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.218 9.852 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.025 8.399 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.880 9.739 4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.201 11.212 3.962 1.00 0.00 H new ATOM 0 HE ARG A 29 3.145 10.065 5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.441 11.210 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.194 11.728 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.839 10.755 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.175 11.474 8.564 1.00 0.00 H new ATOM 423 N MET A 30 3.110 10.377 -0.252 1.00 0.00 N ATOM 424 CA MET A 30 1.956 11.129 -0.709 1.00 0.00 C ATOM 425 C MET A 30 1.097 10.248 -1.600 1.00 0.00 C ATOM 426 O MET A 30 -0.129 10.234 -1.487 1.00 0.00 O ATOM 427 CB MET A 30 2.453 12.359 -1.465 1.00 0.00 C ATOM 428 CG MET A 30 3.149 13.318 -0.480 1.00 0.00 C ATOM 429 SD MET A 30 1.991 14.602 0.065 1.00 0.00 S ATOM 430 CE MET A 30 1.754 15.424 -1.531 1.00 0.00 C ATOM 0 H MET A 30 4.004 10.711 -0.611 1.00 0.00 H new ATOM 0 HA MET A 30 1.345 11.451 0.134 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.147 12.061 -2.251 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.618 12.863 -1.951 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.518 12.762 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.014 13.777 -0.958 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.667 16.500 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.607 15.217 -2.177 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.844 15.050 -2.001 1.00 0.00 H new ATOM 440 N GLU A 31 1.756 9.475 -2.455 1.00 0.00 N ATOM 441 CA GLU A 31 1.044 8.552 -3.318 1.00 0.00 C ATOM 442 C GLU A 31 0.395 7.501 -2.445 1.00 0.00 C ATOM 443 O GLU A 31 -0.705 7.027 -2.723 1.00 0.00 O ATOM 444 CB GLU A 31 2.007 7.889 -4.308 1.00 0.00 C ATOM 445 CG GLU A 31 2.370 8.886 -5.406 1.00 0.00 C ATOM 446 CD GLU A 31 3.444 8.303 -6.317 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.797 7.152 -6.125 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.898 9.019 -7.196 1.00 0.00 O ATOM 0 H GLU A 31 2.770 9.471 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 31 0.289 9.089 -3.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.907 7.557 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.545 7.003 -4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.483 9.133 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.727 9.814 -4.960 1.00 0.00 H new ATOM 455 N LEU A 32 1.088 7.166 -1.362 1.00 0.00 N ATOM 456 CA LEU A 32 0.586 6.205 -0.420 1.00 0.00 C ATOM 457 C LEU A 32 -0.595 6.821 0.325 1.00 0.00 C ATOM 458 O LEU A 32 -1.598 6.158 0.578 1.00 0.00 O ATOM 459 CB LEU A 32 1.700 5.825 0.564 1.00 0.00 C ATOM 460 CG LEU A 32 1.278 4.592 1.384 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.613 3.299 0.626 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.000 4.567 2.741 1.00 0.00 C ATOM 0 H LEU A 32 2.001 7.554 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 32 0.256 5.304 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.621 5.613 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.909 6.662 1.231 1.00 0.00 H new ATOM 0 HG LEU A 32 0.202 4.656 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.307 2.439 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.083 3.288 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.687 3.252 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.687 3.688 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.077 4.530 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.748 5.466 3.304 1.00 0.00 H new ATOM 474 N LYS A 33 -0.458 8.109 0.659 1.00 0.00 N ATOM 475 CA LYS A 33 -1.511 8.840 1.364 1.00 0.00 C ATOM 476 C LYS A 33 -2.758 8.926 0.482 1.00 0.00 C ATOM 477 O LYS A 33 -3.882 8.716 0.936 1.00 0.00 O ATOM 478 CB LYS A 33 -1.008 10.250 1.712 1.00 0.00 C ATOM 479 CG LYS A 33 -1.801 10.846 2.894 1.00 0.00 C ATOM 480 CD LYS A 33 -3.265 11.159 2.488 1.00 0.00 C ATOM 481 CE LYS A 33 -3.732 12.459 3.162 1.00 0.00 C ATOM 482 NZ LYS A 33 -5.176 12.689 2.870 1.00 0.00 N ATOM 0 H LYS A 33 0.372 8.664 0.452 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.768 8.316 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.052 10.210 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.104 10.899 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.795 10.146 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.314 11.758 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.338 11.255 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.916 10.335 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.575 12.398 4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.140 13.300 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.462 13.618 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.330 12.665 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.745 11.945 3.323 1.00 0.00 H new ATOM 496 N ALA A 34 -2.544 9.235 -0.791 1.00 0.00 N ATOM 497 CA ALA A 34 -3.646 9.338 -1.739 1.00 0.00 C ATOM 498 C ALA A 34 -4.311 7.976 -1.917 1.00 0.00 C ATOM 499 O ALA A 34 -5.503 7.886 -2.213 1.00 0.00 O ATOM 500 CB ALA A 34 -3.131 9.844 -3.089 1.00 0.00 C ATOM 0 H ALA A 34 -1.623 9.418 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.380 10.044 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.962 9.918 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.677 10.826 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.387 9.149 -3.479 1.00 0.00 H new ATOM 506 N ALA A 35 -3.524 6.921 -1.734 1.00 0.00 N ATOM 507 CA ALA A 35 -4.026 5.560 -1.872 1.00 0.00 C ATOM 508 C ALA A 35 -4.997 5.227 -0.747 1.00 0.00 C ATOM 509 O ALA A 35 -6.150 4.882 -1.002 1.00 0.00 O ATOM 510 CB ALA A 35 -2.861 4.570 -1.854 1.00 0.00 C ATOM 0 H ALA A 35 -2.536 6.983 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.553 5.484 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.244 3.555 -1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.185 4.789 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.322 4.660 -0.911 1.00 0.00 H new ATOM 516 N ILE A 36 -4.538 5.343 0.500 1.00 0.00 N ATOM 517 CA ILE A 36 -5.407 5.050 1.635 1.00 0.00 C ATOM 518 C ILE A 36 -6.708 5.819 1.479 1.00 0.00 C ATOM 519 O ILE A 36 -7.782 5.303 1.781 1.00 0.00 O ATOM 520 CB ILE A 36 -4.702 5.402 2.961 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.702 5.354 4.158 1.00 0.00 C ATOM 522 CG2 ILE A 36 -4.016 6.760 2.849 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.270 6.738 4.502 1.00 0.00 C ATOM 0 H ILE A 36 -3.591 5.631 0.745 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.631 3.983 1.659 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.934 4.654 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.522 4.678 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.198 4.943 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.522 6.997 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.276 6.729 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.759 7.526 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.960 6.650 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.455 7.409 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.799 7.139 3.638 1.00 0.00 H new ATOM 535 N GLU A 37 -6.610 7.042 0.959 1.00 0.00 N ATOM 536 CA GLU A 37 -7.794 7.848 0.718 1.00 0.00 C ATOM 537 C GLU A 37 -8.556 7.320 -0.491 1.00 0.00 C ATOM 538 O GLU A 37 -9.786 7.326 -0.517 1.00 0.00 O ATOM 539 CB GLU A 37 -7.407 9.310 0.481 1.00 0.00 C ATOM 540 CG GLU A 37 -6.920 9.941 1.788 1.00 0.00 C ATOM 541 CD GLU A 37 -8.078 10.060 2.775 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.213 10.057 2.329 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.811 10.152 3.963 1.00 0.00 O ATOM 0 H GLU A 37 -5.730 7.488 0.701 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.433 7.788 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.624 9.370 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.264 9.864 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.124 9.334 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.498 10.926 1.590 1.00 0.00 H new ATOM 550 N GLY A 38 -7.809 6.883 -1.503 1.00 0.00 N ATOM 551 CA GLY A 38 -8.418 6.374 -2.728 1.00 0.00 C ATOM 552 C GLY A 38 -9.064 5.008 -2.524 1.00 0.00 C ATOM 553 O GLY A 38 -9.670 4.462 -3.444 1.00 0.00 O ATOM 0 H GLY A 38 -6.789 6.871 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.170 7.081 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.659 6.303 -3.507 1.00 0.00 H new ATOM 557 N LEU A 39 -8.926 4.451 -1.324 1.00 0.00 N ATOM 558 CA LEU A 39 -9.499 3.141 -1.020 1.00 0.00 C ATOM 559 C LEU A 39 -10.433 3.254 0.183 1.00 0.00 C ATOM 560 O LEU A 39 -11.255 2.374 0.439 1.00 0.00 O ATOM 561 CB LEU A 39 -8.379 2.134 -0.706 1.00 0.00 C ATOM 562 CG LEU A 39 -7.222 2.205 -1.757 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.863 2.016 -1.072 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.365 1.091 -2.803 1.00 0.00 C ATOM 0 H LEU A 39 -8.425 4.883 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.061 2.792 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.979 2.333 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.792 1.125 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.281 3.183 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.069 2.068 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.717 2.802 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.836 1.044 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.549 1.161 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.330 0.120 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.317 1.199 -3.322 1.00 0.00 H new ATOM 576 N LYS A 40 -10.291 4.354 0.910 1.00 0.00 N ATOM 577 CA LYS A 40 -11.101 4.626 2.086 1.00 0.00 C ATOM 578 C LYS A 40 -12.228 5.579 1.707 1.00 0.00 C ATOM 579 O LYS A 40 -13.274 5.619 2.352 1.00 0.00 O ATOM 580 CB LYS A 40 -10.193 5.277 3.144 1.00 0.00 C ATOM 581 CG LYS A 40 -10.971 5.655 4.433 1.00 0.00 C ATOM 582 CD LYS A 40 -10.497 7.023 4.942 1.00 0.00 C ATOM 583 CE LYS A 40 -11.331 7.445 6.153 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.866 8.778 6.630 1.00 0.00 N ATOM 0 H LYS A 40 -9.609 5.083 0.699 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.536 3.708 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.385 4.591 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.733 6.171 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.041 5.684 4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.813 4.897 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.443 6.974 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.587 7.767 4.150 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.386 7.490 5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.236 6.707 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.431 9.068 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.864 8.719 6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.979 9.478 5.869 1.00 0.00 H new ATOM 598 N ALA A 41 -12.010 6.351 0.648 1.00 0.00 N ATOM 599 CA ALA A 41 -13.020 7.311 0.209 1.00 0.00 C ATOM 600 C ALA A 41 -14.041 6.655 -0.705 1.00 0.00 C ATOM 601 O ALA A 41 -14.884 7.328 -1.298 1.00 0.00 O ATOM 602 CB ALA A 41 -12.352 8.488 -0.500 1.00 0.00 C ATOM 0 H ALA A 41 -11.159 6.334 0.085 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.546 7.678 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.113 9.198 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.663 8.982 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.802 8.125 -1.368 1.00 0.00 H new ATOM 608 N LEU A 42 -13.954 5.335 -0.819 1.00 0.00 N ATOM 609 CA LEU A 42 -14.866 4.571 -1.675 1.00 0.00 C ATOM 610 C LEU A 42 -15.637 3.525 -0.871 1.00 0.00 C ATOM 611 O LEU A 42 -16.870 3.535 -0.849 1.00 0.00 O ATOM 612 CB LEU A 42 -14.045 3.882 -2.788 1.00 0.00 C ATOM 613 CG LEU A 42 -13.865 4.835 -4.019 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.415 4.797 -4.513 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.788 4.427 -5.189 1.00 0.00 C ATOM 0 H LEU A 42 -13.262 4.767 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.594 5.254 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.068 3.594 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.546 2.966 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.127 5.840 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.304 5.464 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.749 5.120 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.158 3.780 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.637 5.109 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.551 3.410 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.828 4.474 -4.865 1.00 0.00 H new ATOM 627 N LYS A 43 -14.894 2.610 -0.251 1.00 0.00 N ATOM 628 CA LYS A 43 -15.480 1.530 0.529 1.00 0.00 C ATOM 629 C LYS A 43 -16.343 0.667 -0.363 1.00 0.00 C ATOM 630 O LYS A 43 -17.184 -0.099 0.105 1.00 0.00 O ATOM 631 CB LYS A 43 -16.296 2.109 1.689 1.00 0.00 C ATOM 632 CG LYS A 43 -15.344 2.592 2.812 1.00 0.00 C ATOM 633 CD LYS A 43 -15.929 3.823 3.517 1.00 0.00 C ATOM 634 CE LYS A 43 -15.026 4.217 4.684 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.571 5.438 5.343 1.00 0.00 N ATOM 0 H LYS A 43 -13.874 2.599 -0.277 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.687 0.909 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.908 2.939 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.978 1.353 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.188 1.791 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.369 2.836 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.015 4.651 2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.934 3.605 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.965 3.400 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.013 4.405 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.957 5.707 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.608 6.217 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.529 5.243 5.697 1.00 0.00 H new ATOM 649 N GLU A 44 -16.111 0.802 -1.663 1.00 0.00 N ATOM 650 CA GLU A 44 -16.841 0.038 -2.661 1.00 0.00 C ATOM 651 C GLU A 44 -15.930 -1.070 -3.219 1.00 0.00 C ATOM 652 O GLU A 44 -15.114 -0.803 -4.101 1.00 0.00 O ATOM 653 CB GLU A 44 -17.277 0.984 -3.797 1.00 0.00 C ATOM 654 CG GLU A 44 -18.624 1.634 -3.454 1.00 0.00 C ATOM 655 CD GLU A 44 -19.742 0.602 -3.563 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.472 -0.485 -4.047 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.851 0.912 -3.160 1.00 0.00 O ATOM 0 H GLU A 44 -15.416 1.440 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.723 -0.418 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.521 1.754 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.360 0.429 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.593 2.044 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.819 2.466 -4.130 1.00 0.00 H new ATOM 664 N PRO A 45 -16.026 -2.293 -2.731 1.00 0.00 N ATOM 665 CA PRO A 45 -15.156 -3.402 -3.221 1.00 0.00 C ATOM 666 C PRO A 45 -14.989 -3.359 -4.735 1.00 0.00 C ATOM 667 O PRO A 45 -15.914 -3.683 -5.481 1.00 0.00 O ATOM 668 CB PRO A 45 -15.902 -4.657 -2.767 1.00 0.00 C ATOM 669 CG PRO A 45 -16.586 -4.245 -1.504 1.00 0.00 C ATOM 670 CD PRO A 45 -16.955 -2.764 -1.682 1.00 0.00 C ATOM 0 HA PRO A 45 -14.139 -3.350 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.620 -4.987 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.216 -5.487 -2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.476 -4.850 -1.328 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.931 -4.383 -0.644 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.995 -2.645 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.828 -2.206 -0.755 1.00 0.00 H new ATOM 678 N ALA A 46 -13.811 -2.924 -5.182 1.00 0.00 N ATOM 679 CA ALA A 46 -13.546 -2.802 -6.623 1.00 0.00 C ATOM 680 C ALA A 46 -12.110 -3.190 -6.997 1.00 0.00 C ATOM 681 O ALA A 46 -11.200 -3.124 -6.171 1.00 0.00 O ATOM 682 CB ALA A 46 -13.860 -1.355 -7.035 1.00 0.00 C ATOM 0 H ALA A 46 -13.033 -2.653 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.183 -3.502 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.673 -1.232 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.906 -1.135 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.224 -0.671 -6.474 1.00 0.00 H new ATOM 688 N GLU A 47 -11.922 -3.588 -8.270 1.00 0.00 N ATOM 689 CA GLU A 47 -10.594 -3.976 -8.758 1.00 0.00 C ATOM 690 C GLU A 47 -9.831 -2.729 -9.187 1.00 0.00 C ATOM 691 O GLU A 47 -9.756 -2.395 -10.360 1.00 0.00 O ATOM 692 CB GLU A 47 -10.709 -4.947 -9.945 1.00 0.00 C ATOM 693 CG GLU A 47 -11.188 -6.323 -9.466 1.00 0.00 C ATOM 694 CD GLU A 47 -11.077 -7.329 -10.605 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.715 -6.922 -11.697 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.352 -8.493 -10.369 1.00 0.00 O ATOM 0 H GLU A 47 -12.664 -3.647 -8.967 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.059 -4.480 -7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.406 -4.549 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.742 -5.043 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.589 -6.652 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.220 -6.260 -9.122 1.00 0.00 H new ATOM 703 N VAL A 48 -9.277 -2.032 -8.222 1.00 0.00 N ATOM 704 CA VAL A 48 -8.562 -0.806 -8.506 1.00 0.00 C ATOM 705 C VAL A 48 -7.179 -1.081 -9.064 1.00 0.00 C ATOM 706 O VAL A 48 -6.280 -1.520 -8.347 1.00 0.00 O ATOM 707 CB VAL A 48 -8.414 0.003 -7.208 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.232 1.512 -7.503 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.641 -0.231 -6.290 1.00 0.00 C ATOM 0 H VAL A 48 -9.307 -2.291 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.131 -0.250 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.518 -0.343 -6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.130 2.057 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.337 1.659 -8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.101 1.884 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.525 0.347 -5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.547 0.085 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.715 -1.290 -6.044 1.00 0.00 H new ATOM 719 N ASP A 49 -7.009 -0.777 -10.332 1.00 0.00 N ATOM 720 CA ASP A 49 -5.713 -0.949 -10.964 1.00 0.00 C ATOM 721 C ASP A 49 -4.829 0.228 -10.592 1.00 0.00 C ATOM 722 O ASP A 49 -4.575 1.119 -11.403 1.00 0.00 O ATOM 723 CB ASP A 49 -5.863 -1.047 -12.484 1.00 0.00 C ATOM 724 CG ASP A 49 -4.520 -1.389 -13.122 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.508 -0.954 -12.597 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.523 -2.088 -14.122 1.00 0.00 O ATOM 0 H ASP A 49 -7.741 -0.413 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.257 -1.875 -10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.599 -1.810 -12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.234 -0.103 -12.882 1.00 0.00 H new ATOM 731 N LEU A 50 -4.387 0.229 -9.340 1.00 0.00 N ATOM 732 CA LEU A 50 -3.560 1.299 -8.827 1.00 0.00 C ATOM 733 C LEU A 50 -2.202 1.316 -9.514 1.00 0.00 C ATOM 734 O LEU A 50 -1.357 0.462 -9.248 1.00 0.00 O ATOM 735 CB LEU A 50 -3.368 1.104 -7.308 1.00 0.00 C ATOM 736 CG LEU A 50 -2.899 2.421 -6.631 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.392 2.488 -5.176 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.364 2.513 -6.633 1.00 0.00 C ATOM 0 H LEU A 50 -4.592 -0.506 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.055 2.250 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.305 0.774 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.635 0.318 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.318 3.252 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.053 3.418 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.481 2.451 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.992 1.642 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.055 3.442 -6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.948 1.667 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.000 2.495 -7.660 1.00 0.00 H new ATOM 750 N TYR A 51 -1.978 2.305 -10.381 1.00 0.00 N ATOM 751 CA TYR A 51 -0.684 2.411 -11.058 1.00 0.00 C ATOM 752 C TYR A 51 0.260 3.248 -10.192 1.00 0.00 C ATOM 753 O TYR A 51 0.084 4.461 -10.070 1.00 0.00 O ATOM 754 CB TYR A 51 -0.810 3.063 -12.441 1.00 0.00 C ATOM 755 CG TYR A 51 -2.004 2.508 -13.185 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.256 3.109 -13.042 1.00 0.00 C ATOM 757 CD2 TYR A 51 -1.858 1.393 -14.021 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.355 2.601 -13.732 1.00 0.00 C ATOM 759 CE2 TYR A 51 -2.961 0.882 -14.710 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.212 1.487 -14.567 1.00 0.00 C ATOM 761 OH TYR A 51 -5.304 0.982 -15.242 1.00 0.00 O ATOM 0 H TYR A 51 -2.656 3.027 -10.627 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.293 1.403 -11.200 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.913 4.143 -12.332 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.098 2.886 -13.017 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.373 3.967 -12.397 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.890 0.927 -14.133 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.322 3.069 -13.622 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.847 0.021 -15.352 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.029 0.209 -15.778 1.00 0.00 H new ATOM 771 N THR A 52 1.245 2.594 -9.573 1.00 0.00 N ATOM 772 CA THR A 52 2.196 3.286 -8.692 1.00 0.00 C ATOM 773 C THR A 52 3.628 3.135 -9.193 1.00 0.00 C ATOM 774 O THR A 52 4.200 2.048 -9.152 1.00 0.00 O ATOM 775 CB THR A 52 2.096 2.704 -7.276 1.00 0.00 C ATOM 776 OG1 THR A 52 3.297 2.978 -6.567 1.00 0.00 O ATOM 777 CG2 THR A 52 1.879 1.191 -7.353 1.00 0.00 C ATOM 0 H THR A 52 1.407 1.591 -9.663 1.00 0.00 H new ATOM 0 HA THR A 52 1.943 4.346 -8.686 1.00 0.00 H new ATOM 0 HB THR A 52 1.254 3.161 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.795 2.145 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.809 0.782 -6.345 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.956 0.983 -7.894 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.718 0.729 -7.874 1.00 0.00 H new ATOM 785 N ASP A 53 4.210 4.238 -9.652 1.00 0.00 N ATOM 786 CA ASP A 53 5.584 4.226 -10.151 1.00 0.00 C ATOM 787 C ASP A 53 6.551 4.634 -9.046 1.00 0.00 C ATOM 788 O ASP A 53 7.503 5.377 -9.283 1.00 0.00 O ATOM 789 CB ASP A 53 5.716 5.201 -11.323 1.00 0.00 C ATOM 790 CG ASP A 53 5.535 6.634 -10.832 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.068 6.802 -9.717 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.861 7.542 -11.579 1.00 0.00 O ATOM 0 H ASP A 53 3.755 5.150 -9.690 1.00 0.00 H new ATOM 0 HA ASP A 53 5.826 3.217 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.694 5.089 -11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.970 4.971 -12.084 1.00 0.00 H new ATOM 797 N SER A 54 6.300 4.136 -7.836 1.00 0.00 N ATOM 798 CA SER A 54 7.154 4.443 -6.685 1.00 0.00 C ATOM 799 C SER A 54 8.103 3.284 -6.386 1.00 0.00 C ATOM 800 O SER A 54 7.837 2.137 -6.746 1.00 0.00 O ATOM 801 CB SER A 54 6.295 4.744 -5.456 1.00 0.00 C ATOM 802 OG SER A 54 5.828 6.084 -5.528 1.00 0.00 O ATOM 0 H SER A 54 5.515 3.520 -7.626 1.00 0.00 H new ATOM 0 HA SER A 54 7.750 5.322 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.452 4.055 -5.409 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.877 4.598 -4.546 1.00 0.00 H new ATOM 0 HG SER A 54 4.862 6.085 -5.692 1.00 0.00 H new ATOM 808 N HIS A 55 9.219 3.603 -5.730 1.00 0.00 N ATOM 809 CA HIS A 55 10.227 2.598 -5.387 1.00 0.00 C ATOM 810 C HIS A 55 10.033 2.068 -3.977 1.00 0.00 C ATOM 811 O HIS A 55 10.835 1.272 -3.488 1.00 0.00 O ATOM 812 CB HIS A 55 11.623 3.207 -5.506 1.00 0.00 C ATOM 813 CG HIS A 55 11.929 3.468 -6.953 1.00 0.00 C ATOM 814 ND1 HIS A 55 12.109 2.441 -7.866 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.086 4.632 -7.662 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.362 3.002 -9.062 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.360 4.336 -8.994 1.00 0.00 N ATOM 0 H HIS A 55 9.448 4.549 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 55 10.117 1.767 -6.083 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.677 4.136 -4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.365 2.530 -5.082 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.009 5.627 -7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.545 2.442 -9.967 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.524 4.996 -9.755 1.00 0.00 H new ATOM 825 N TYR A 56 8.964 2.508 -3.330 1.00 0.00 N ATOM 826 CA TYR A 56 8.659 2.067 -1.962 1.00 0.00 C ATOM 827 C TYR A 56 7.430 1.178 -1.967 1.00 0.00 C ATOM 828 O TYR A 56 7.427 0.099 -1.376 1.00 0.00 O ATOM 829 CB TYR A 56 8.417 3.290 -1.062 1.00 0.00 C ATOM 830 CG TYR A 56 7.999 2.889 0.357 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.690 1.889 1.079 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.915 3.547 0.966 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.288 1.562 2.382 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.523 3.212 2.265 1.00 0.00 C ATOM 835 CZ TYR A 56 7.208 2.221 2.972 1.00 0.00 C ATOM 836 OH TYR A 56 6.817 1.893 4.253 1.00 0.00 O ATOM 0 H TYR A 56 8.291 3.167 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 56 9.505 1.500 -1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.325 3.891 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.643 3.917 -1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.527 1.377 0.627 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.382 4.316 0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.816 0.797 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.688 3.721 2.724 1.00 0.00 H new ATOM 0 HH TYR A 56 6.017 1.328 4.216 1.00 0.00 H new ATOM 846 N LEU A 57 6.389 1.636 -2.640 1.00 0.00 N ATOM 847 CA LEU A 57 5.162 0.878 -2.718 1.00 0.00 C ATOM 848 C LEU A 57 5.396 -0.442 -3.454 1.00 0.00 C ATOM 849 O LEU A 57 5.039 -1.523 -2.974 1.00 0.00 O ATOM 850 CB LEU A 57 4.127 1.706 -3.490 1.00 0.00 C ATOM 851 CG LEU A 57 3.538 2.818 -2.600 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.629 3.847 -2.261 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.395 3.510 -3.356 1.00 0.00 C ATOM 0 H LEU A 57 6.373 2.526 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 57 4.807 0.660 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.593 2.148 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.327 1.056 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 57 3.160 2.384 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.207 4.631 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.442 3.353 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.012 4.288 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.972 4.299 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.779 3.943 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.621 2.780 -3.593 1.00 0.00 H new ATOM 865 N LYS A 58 6.017 -0.335 -4.620 1.00 0.00 N ATOM 866 CA LYS A 58 6.302 -1.501 -5.442 1.00 0.00 C ATOM 867 C LYS A 58 7.128 -2.494 -4.659 1.00 0.00 C ATOM 868 O LYS A 58 6.745 -3.647 -4.483 1.00 0.00 O ATOM 869 CB LYS A 58 7.070 -1.038 -6.683 1.00 0.00 C ATOM 870 CG LYS A 58 7.562 -2.231 -7.517 1.00 0.00 C ATOM 871 CD LYS A 58 8.512 -1.721 -8.590 1.00 0.00 C ATOM 872 CE LYS A 58 8.949 -2.891 -9.473 1.00 0.00 C ATOM 873 NZ LYS A 58 9.955 -2.424 -10.467 1.00 0.00 N ATOM 0 H LYS A 58 6.333 0.549 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 58 5.373 -1.987 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.427 -0.405 -7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.921 -0.429 -6.379 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.068 -2.955 -6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.717 -2.746 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.021 -0.958 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.382 -1.253 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.373 -3.684 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.085 -3.313 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.262 -3.226 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.531 -1.694 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.776 -2.026 -9.969 1.00 0.00 H new ATOM 887 N LYS A 59 8.266 -2.030 -4.195 1.00 0.00 N ATOM 888 CA LYS A 59 9.170 -2.857 -3.427 1.00 0.00 C ATOM 889 C LYS A 59 8.396 -3.698 -2.409 1.00 0.00 C ATOM 890 O LYS A 59 8.568 -4.912 -2.331 1.00 0.00 O ATOM 891 CB LYS A 59 10.157 -1.899 -2.724 1.00 0.00 C ATOM 892 CG LYS A 59 10.767 -2.503 -1.436 1.00 0.00 C ATOM 893 CD LYS A 59 11.532 -1.417 -0.637 1.00 0.00 C ATOM 894 CE LYS A 59 11.266 -1.620 0.859 1.00 0.00 C ATOM 895 NZ LYS A 59 12.110 -0.686 1.653 1.00 0.00 N ATOM 0 H LYS A 59 8.590 -1.074 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 59 9.706 -3.557 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.960 -1.642 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.641 -0.972 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.977 -2.929 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.444 -3.317 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.601 -1.481 -0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.208 -0.423 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.212 -1.447 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.485 -2.650 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.926 -0.828 2.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.114 -0.871 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.881 0.295 1.394 1.00 0.00 H new ATOM 909 N ALA A 60 7.577 -3.033 -1.606 1.00 0.00 N ATOM 910 CA ALA A 60 6.826 -3.718 -0.563 1.00 0.00 C ATOM 911 C ALA A 60 6.068 -4.917 -1.113 1.00 0.00 C ATOM 912 O ALA A 60 6.347 -6.063 -0.758 1.00 0.00 O ATOM 913 CB ALA A 60 5.839 -2.745 0.083 1.00 0.00 C ATOM 0 H ALA A 60 7.416 -2.027 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 60 7.538 -4.079 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.278 -3.260 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.385 -1.909 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.149 -2.371 -0.673 1.00 0.00 H new ATOM 919 N PHE A 61 5.096 -4.638 -1.963 1.00 0.00 N ATOM 920 CA PHE A 61 4.271 -5.685 -2.550 1.00 0.00 C ATOM 921 C PHE A 61 5.096 -6.657 -3.404 1.00 0.00 C ATOM 922 O PHE A 61 4.885 -7.868 -3.347 1.00 0.00 O ATOM 923 CB PHE A 61 3.183 -5.056 -3.422 1.00 0.00 C ATOM 924 CG PHE A 61 2.178 -4.312 -2.559 1.00 0.00 C ATOM 925 CD1 PHE A 61 1.204 -5.015 -1.828 1.00 0.00 C ATOM 926 CD2 PHE A 61 2.225 -2.915 -2.481 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.294 -4.318 -1.025 1.00 0.00 C ATOM 928 CE2 PHE A 61 1.312 -2.222 -1.682 1.00 0.00 C ATOM 929 CZ PHE A 61 0.349 -2.921 -0.952 1.00 0.00 C ATOM 0 H PHE A 61 4.856 -3.693 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 61 3.826 -6.248 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.634 -4.370 -4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.675 -5.831 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.158 -6.092 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.971 -2.370 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.452 -4.859 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.351 -1.144 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.353 -2.384 -0.331 1.00 0.00 H new ATOM 939 N THR A 62 6.015 -6.125 -4.211 1.00 0.00 N ATOM 940 CA THR A 62 6.835 -6.969 -5.087 1.00 0.00 C ATOM 941 C THR A 62 7.727 -7.913 -4.283 1.00 0.00 C ATOM 942 O THR A 62 8.119 -8.971 -4.776 1.00 0.00 O ATOM 943 CB THR A 62 7.702 -6.101 -6.007 1.00 0.00 C ATOM 944 OG1 THR A 62 8.399 -5.138 -5.230 1.00 0.00 O ATOM 945 CG2 THR A 62 6.821 -5.389 -7.038 1.00 0.00 C ATOM 0 H THR A 62 6.210 -5.126 -4.278 1.00 0.00 H new ATOM 0 HA THR A 62 6.155 -7.571 -5.690 1.00 0.00 H new ATOM 0 HB THR A 62 8.418 -6.736 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.775 -4.702 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.445 -4.775 -7.687 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.292 -6.130 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.099 -4.755 -6.524 1.00 0.00 H new ATOM 953 N GLU A 63 8.026 -7.548 -3.042 1.00 0.00 N ATOM 954 CA GLU A 63 8.849 -8.401 -2.186 1.00 0.00 C ATOM 955 C GLU A 63 7.988 -9.511 -1.593 1.00 0.00 C ATOM 956 O GLU A 63 8.496 -10.471 -1.013 1.00 0.00 O ATOM 957 CB GLU A 63 9.494 -7.568 -1.073 1.00 0.00 C ATOM 958 CG GLU A 63 10.697 -6.802 -1.634 1.00 0.00 C ATOM 959 CD GLU A 63 11.191 -5.785 -0.612 1.00 0.00 C ATOM 960 OE1 GLU A 63 10.358 -5.144 0.007 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.396 -5.658 -0.466 1.00 0.00 O ATOM 0 H GLU A 63 7.717 -6.678 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 63 9.644 -8.850 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.766 -6.870 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.812 -8.217 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.498 -7.498 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.417 -6.295 -2.558 1.00 0.00 H new ATOM 968 N GLY A 64 6.679 -9.375 -1.769 1.00 0.00 N ATOM 969 CA GLY A 64 5.727 -10.367 -1.283 1.00 0.00 C ATOM 970 C GLY A 64 5.956 -10.739 0.182 1.00 0.00 C ATOM 971 O GLY A 64 5.246 -11.590 0.719 1.00 0.00 O ATOM 0 H GLY A 64 6.251 -8.583 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.715 -9.981 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.799 -11.265 -1.897 1.00 0.00 H new ATOM 975 N TRP A 65 6.935 -10.112 0.837 1.00 0.00 N ATOM 976 CA TRP A 65 7.201 -10.419 2.239 1.00 0.00 C ATOM 977 C TRP A 65 6.278 -9.625 3.149 1.00 0.00 C ATOM 978 O TRP A 65 6.470 -9.579 4.364 1.00 0.00 O ATOM 979 CB TRP A 65 8.679 -10.175 2.595 1.00 0.00 C ATOM 980 CG TRP A 65 9.126 -8.733 2.450 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.348 -7.609 2.362 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.505 -8.255 2.391 1.00 0.00 C ATOM 983 NE1 TRP A 65 9.173 -6.501 2.276 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.498 -6.846 2.283 1.00 0.00 C ATOM 985 CE3 TRP A 65 11.754 -8.905 2.424 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.673 -6.108 2.212 1.00 0.00 C ATOM 987 CZ3 TRP A 65 12.945 -8.161 2.349 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.902 -6.764 2.244 1.00 0.00 C ATOM 0 H TRP A 65 7.544 -9.403 0.428 1.00 0.00 H new ATOM 0 HA TRP A 65 6.998 -11.479 2.394 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.851 -10.495 3.623 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.302 -10.802 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.268 -7.590 2.360 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.834 -5.541 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 65 11.797 -9.981 2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.634 -5.032 2.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 13.898 -8.669 2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.820 -6.197 2.188 1.00 0.00 H new ATOM 999 N LEU A 66 5.275 -8.994 2.540 1.00 0.00 N ATOM 1000 CA LEU A 66 4.320 -8.193 3.291 1.00 0.00 C ATOM 1001 C LEU A 66 3.649 -9.115 4.315 1.00 0.00 C ATOM 1002 O LEU A 66 3.327 -8.733 5.445 1.00 0.00 O ATOM 1003 CB LEU A 66 3.293 -7.572 2.312 1.00 0.00 C ATOM 1004 CG LEU A 66 2.724 -6.239 2.858 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.068 -5.432 1.723 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.682 -6.504 3.951 1.00 0.00 C ATOM 0 H LEU A 66 5.106 -9.024 1.534 1.00 0.00 H new ATOM 0 HA LEU A 66 4.807 -7.371 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.768 -7.398 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.477 -8.275 2.144 1.00 0.00 H new ATOM 0 HG LEU A 66 3.551 -5.668 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.673 -4.498 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.811 -5.213 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.255 -6.013 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.294 -5.555 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.864 -7.094 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.146 -7.052 4.771 1.00 0.00 H new ATOM 1018 N GLU A 67 3.497 -10.365 3.937 1.00 0.00 N ATOM 1019 CA GLU A 67 2.939 -11.326 4.858 1.00 0.00 C ATOM 1020 C GLU A 67 3.914 -11.444 6.030 1.00 0.00 C ATOM 1021 O GLU A 67 3.529 -11.392 7.206 1.00 0.00 O ATOM 1022 CB GLU A 67 2.739 -12.675 4.136 1.00 0.00 C ATOM 1023 CG GLU A 67 2.969 -13.845 5.096 1.00 0.00 C ATOM 1024 CD GLU A 67 2.469 -15.144 4.475 1.00 0.00 C ATOM 1025 OE1 GLU A 67 1.761 -15.072 3.485 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.806 -16.194 4.999 1.00 0.00 O ATOM 0 H GLU A 67 3.746 -10.733 3.019 1.00 0.00 H new ATOM 0 HA GLU A 67 1.962 -11.014 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.730 -12.727 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.428 -12.748 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.030 -13.930 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.450 -13.660 6.037 1.00 0.00 H new ATOM 1033 N GLY A 68 5.190 -11.582 5.689 1.00 0.00 N ATOM 1034 CA GLY A 68 6.220 -11.684 6.699 1.00 0.00 C ATOM 1035 C GLY A 68 6.146 -10.465 7.593 1.00 0.00 C ATOM 1036 O GLY A 68 6.222 -10.578 8.815 1.00 0.00 O ATOM 0 H GLY A 68 5.528 -11.625 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.084 -12.592 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.202 -11.751 6.231 1.00 0.00 H new ATOM 1040 N TRP A 69 5.969 -9.290 6.977 1.00 0.00 N ATOM 1041 CA TRP A 69 5.869 -8.057 7.749 1.00 0.00 C ATOM 1042 C TRP A 69 4.967 -8.300 8.959 1.00 0.00 C ATOM 1043 O TRP A 69 5.367 -8.069 10.091 1.00 0.00 O ATOM 1044 CB TRP A 69 5.309 -6.897 6.892 1.00 0.00 C ATOM 1045 CG TRP A 69 6.398 -6.076 6.267 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.681 -6.460 6.035 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.287 -4.720 5.775 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.358 -5.407 5.447 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.537 -4.314 5.262 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.220 -3.811 5.733 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.723 -3.045 4.721 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.398 -2.536 5.190 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.649 -2.149 4.682 1.00 0.00 C ATOM 0 H TRP A 69 5.894 -9.172 5.967 1.00 0.00 H new ATOM 0 HA TRP A 69 6.867 -7.769 8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.668 -7.303 6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.685 -6.256 7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.102 -7.426 6.271 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.343 -5.435 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.255 -4.098 6.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.689 -2.754 4.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.569 -1.844 5.161 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.782 -1.163 4.262 1.00 0.00 H new ATOM 1064 N ARG A 70 3.761 -8.797 8.713 1.00 0.00 N ATOM 1065 CA ARG A 70 2.833 -9.071 9.814 1.00 0.00 C ATOM 1066 C ARG A 70 3.466 -9.990 10.850 1.00 0.00 C ATOM 1067 O ARG A 70 3.330 -9.771 12.054 1.00 0.00 O ATOM 1068 CB ARG A 70 1.580 -9.740 9.273 1.00 0.00 C ATOM 1069 CG ARG A 70 0.770 -8.732 8.450 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.399 -9.452 7.788 1.00 0.00 C ATOM 1071 NE ARG A 70 0.105 -10.430 6.830 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.721 -11.257 6.196 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -2.007 -11.170 6.394 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -0.248 -12.154 5.373 1.00 0.00 N ATOM 0 H ARG A 70 3.404 -9.016 7.783 1.00 0.00 H new ATOM 0 HA ARG A 70 2.584 -8.121 10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.851 -10.595 8.654 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.976 -10.121 10.096 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.403 -7.931 9.092 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.404 -8.269 7.693 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.008 -9.949 8.544 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.043 -8.732 7.283 1.00 0.00 H new ATOM 0 HE ARG A 70 1.107 -10.480 6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.378 -10.468 7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.642 -11.804 5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.757 -12.222 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.884 -12.787 4.888 1.00 0.00 H new ATOM 1088 N LYS A 71 4.155 -11.021 10.381 1.00 0.00 N ATOM 1089 CA LYS A 71 4.802 -11.966 11.295 1.00 0.00 C ATOM 1090 C LYS A 71 6.121 -11.388 11.811 1.00 0.00 C ATOM 1091 O LYS A 71 6.761 -11.958 12.693 1.00 0.00 O ATOM 1092 CB LYS A 71 5.058 -13.304 10.582 1.00 0.00 C ATOM 1093 CG LYS A 71 3.775 -14.143 10.544 1.00 0.00 C ATOM 1094 CD LYS A 71 2.744 -13.470 9.637 1.00 0.00 C ATOM 1095 CE LYS A 71 1.592 -14.438 9.370 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.892 -14.747 10.649 1.00 0.00 N ATOM 0 H LYS A 71 4.282 -11.227 9.390 1.00 0.00 H new ATOM 0 HA LYS A 71 4.139 -12.138 12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.411 -13.121 9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.845 -13.854 11.098 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.996 -15.146 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.371 -14.253 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.368 -12.561 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.209 -13.173 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.893 -14.000 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.971 -15.356 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.003 -15.235 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.495 -15.359 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.696 -13.863 11.160 1.00 0.00 H new ATOM 1110 N ARG A 72 6.519 -10.260 11.239 1.00 0.00 N ATOM 1111 CA ARG A 72 7.767 -9.589 11.610 1.00 0.00 C ATOM 1112 C ARG A 72 7.522 -8.477 12.619 1.00 0.00 C ATOM 1113 O ARG A 72 8.417 -7.685 12.915 1.00 0.00 O ATOM 1114 CB ARG A 72 8.365 -8.994 10.345 1.00 0.00 C ATOM 1115 CG ARG A 72 9.068 -10.085 9.534 1.00 0.00 C ATOM 1116 CD ARG A 72 9.481 -9.534 8.169 1.00 0.00 C ATOM 1117 NE ARG A 72 10.221 -10.549 7.426 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.133 -10.221 6.514 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.352 -8.967 6.231 1.00 0.00 N ATOM 1120 NH2 ARG A 72 11.803 -11.156 5.894 1.00 0.00 N ATOM 0 H ARG A 72 5.992 -9.782 10.508 1.00 0.00 H new ATOM 0 HA ARG A 72 8.441 -10.312 12.069 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.581 -8.532 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.074 -8.208 10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.946 -10.442 10.073 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.404 -10.940 9.405 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.597 -9.232 7.607 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.097 -8.644 8.298 1.00 0.00 H new ATOM 0 HE ARG A 72 10.034 -11.535 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.824 -8.237 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.051 -8.717 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.627 -12.137 6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.502 -10.904 5.195 1.00 0.00 H new ATOM 1134 N GLY A 73 6.316 -8.420 13.141 1.00 0.00 N ATOM 1135 CA GLY A 73 5.984 -7.393 14.119 1.00 0.00 C ATOM 1136 C GLY A 73 6.149 -6.006 13.509 1.00 0.00 C ATOM 1137 O GLY A 73 5.994 -4.993 14.190 1.00 0.00 O ATOM 0 H GLY A 73 5.555 -9.060 12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.958 -7.527 14.462 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.628 -7.492 14.993 1.00 0.00 H new ATOM 1141 N TRP A 74 6.455 -6.001 12.212 1.00 0.00 N ATOM 1142 CA TRP A 74 6.631 -4.782 11.424 1.00 0.00 C ATOM 1143 C TRP A 74 7.919 -4.035 11.741 1.00 0.00 C ATOM 1144 O TRP A 74 7.959 -3.106 12.548 1.00 0.00 O ATOM 1145 CB TRP A 74 5.386 -3.869 11.533 1.00 0.00 C ATOM 1146 CG TRP A 74 4.345 -4.415 10.619 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.998 -5.705 10.556 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.534 -3.726 9.646 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.083 -5.872 9.545 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.737 -4.675 8.970 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.429 -2.390 9.284 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.857 -4.304 7.958 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.547 -1.998 8.280 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.752 -2.959 7.607 1.00 0.00 C ATOM 0 H TRP A 74 6.589 -6.856 11.672 1.00 0.00 H new ATOM 0 HA TRP A 74 6.731 -5.096 10.385 1.00 0.00 H new ATOM 0 HB2 TRP A 74 5.019 -3.843 12.559 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.637 -2.845 11.258 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.376 -6.488 11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.707 -6.775 9.257 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.035 -1.650 9.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.262 -5.049 7.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.468 -0.955 8.012 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.070 -2.652 6.828 1.00 0.00 H new ATOM 1165 N ARG A 75 8.960 -4.462 11.032 1.00 0.00 N ATOM 1166 CA ARG A 75 10.297 -3.880 11.119 1.00 0.00 C ATOM 1167 C ARG A 75 10.877 -3.844 9.705 1.00 0.00 C ATOM 1168 O ARG A 75 10.320 -4.455 8.793 1.00 0.00 O ATOM 1169 CB ARG A 75 11.218 -4.733 12.022 1.00 0.00 C ATOM 1170 CG ARG A 75 11.072 -4.337 13.504 1.00 0.00 C ATOM 1171 CD ARG A 75 9.881 -5.070 14.161 1.00 0.00 C ATOM 1172 NE ARG A 75 9.096 -4.119 14.928 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.283 -4.520 15.897 1.00 0.00 C ATOM 1174 NH1 ARG A 75 8.185 -5.789 16.183 1.00 0.00 N ATOM 1175 NH2 ARG A 75 7.581 -3.645 16.563 1.00 0.00 N ATOM 0 H ARG A 75 8.898 -5.235 10.370 1.00 0.00 H new ATOM 0 HA ARG A 75 10.233 -2.881 11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.975 -5.788 11.900 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.255 -4.607 11.710 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.991 -4.576 14.040 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.928 -3.259 13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.261 -5.538 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.243 -5.867 14.810 1.00 0.00 H new ATOM 0 HE ARG A 75 9.171 -3.124 14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.733 -6.473 15.662 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.560 -6.097 16.928 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.657 -2.653 16.339 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.956 -3.953 17.308 1.00 0.00 H new ATOM 1189 N THR A 76 11.999 -3.155 9.517 1.00 0.00 N ATOM 1190 CA THR A 76 12.614 -3.107 8.198 1.00 0.00 C ATOM 1191 C THR A 76 13.549 -4.275 8.034 1.00 0.00 C ATOM 1192 O THR A 76 13.887 -4.961 9.000 1.00 0.00 O ATOM 1193 CB THR A 76 13.383 -1.818 7.986 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.468 -1.769 8.890 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.422 -0.643 8.183 1.00 0.00 C ATOM 0 H THR A 76 12.490 -2.634 10.244 1.00 0.00 H new ATOM 0 HA THR A 76 11.817 -3.154 7.456 1.00 0.00 H new ATOM 0 HB THR A 76 13.791 -1.765 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.253 -2.296 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.958 0.294 8.034 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.608 -0.714 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.015 -0.672 9.194 1.00 0.00 H new ATOM 1203 N ALA A 77 13.954 -4.504 6.807 1.00 0.00 N ATOM 1204 CA ALA A 77 14.842 -5.613 6.521 1.00 0.00 C ATOM 1205 C ALA A 77 16.069 -5.572 7.420 1.00 0.00 C ATOM 1206 O ALA A 77 16.811 -6.550 7.513 1.00 0.00 O ATOM 1207 CB ALA A 77 15.261 -5.588 5.044 1.00 0.00 C ATOM 0 H ALA A 77 13.688 -3.945 5.996 1.00 0.00 H new ATOM 0 HA ALA A 77 14.306 -6.541 6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.928 -6.426 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.376 -5.668 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.777 -4.653 4.828 1.00 0.00 H new ATOM 1213 N GLU A 78 16.282 -4.442 8.083 1.00 0.00 N ATOM 1214 CA GLU A 78 17.427 -4.298 8.975 1.00 0.00 C ATOM 1215 C GLU A 78 17.067 -4.738 10.387 1.00 0.00 C ATOM 1216 O GLU A 78 17.837 -5.433 11.051 1.00 0.00 O ATOM 1217 CB GLU A 78 17.892 -2.841 8.994 1.00 0.00 C ATOM 1218 CG GLU A 78 19.342 -2.770 9.458 1.00 0.00 C ATOM 1219 CD GLU A 78 19.827 -1.324 9.444 1.00 0.00 C ATOM 1220 OE1 GLU A 78 19.156 -0.500 8.844 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.863 -1.062 10.032 1.00 0.00 O ATOM 0 H GLU A 78 15.683 -3.618 8.022 1.00 0.00 H new ATOM 0 HA GLU A 78 18.233 -4.932 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.797 -2.406 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.258 -2.256 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.431 -3.182 10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.970 -3.379 8.808 1.00 0.00 H new ATOM 1228 N GLY A 79 15.888 -4.322 10.841 1.00 0.00 N ATOM 1229 CA GLY A 79 15.418 -4.671 12.180 1.00 0.00 C ATOM 1230 C GLY A 79 14.882 -3.453 12.909 1.00 0.00 C ATOM 1231 O GLY A 79 14.519 -3.531 14.083 1.00 0.00 O ATOM 0 H GLY A 79 15.241 -3.744 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.637 -5.428 12.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.235 -5.110 12.752 1.00 0.00 H new ATOM 1235 N LYS A 80 14.818 -2.326 12.205 1.00 0.00 N ATOM 1236 CA LYS A 80 14.301 -1.091 12.800 1.00 0.00 C ATOM 1237 C LYS A 80 12.840 -0.904 12.368 1.00 0.00 C ATOM 1238 O LYS A 80 12.460 -1.346 11.284 1.00 0.00 O ATOM 1239 CB LYS A 80 15.171 0.122 12.395 1.00 0.00 C ATOM 1240 CG LYS A 80 14.970 0.492 10.899 1.00 0.00 C ATOM 1241 CD LYS A 80 16.332 0.690 10.179 1.00 0.00 C ATOM 1242 CE LYS A 80 16.204 0.445 8.660 1.00 0.00 C ATOM 1243 NZ LYS A 80 17.014 1.462 7.933 1.00 0.00 N ATOM 0 H LYS A 80 15.113 -2.239 11.233 1.00 0.00 H new ATOM 0 HA LYS A 80 14.343 -1.163 13.887 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.917 0.978 13.020 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.221 -0.105 12.577 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.404 -0.295 10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.380 1.406 10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.696 1.702 10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.070 0.007 10.599 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.548 -0.559 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.159 0.508 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.752 1.459 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.832 2.403 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.024 1.234 8.029 1.00 0.00 H new ATOM 1257 N PRO A 81 12.010 -0.287 13.177 1.00 0.00 N ATOM 1258 CA PRO A 81 10.576 -0.089 12.829 1.00 0.00 C ATOM 1259 C PRO A 81 10.373 0.349 11.378 1.00 0.00 C ATOM 1260 O PRO A 81 11.280 0.875 10.732 1.00 0.00 O ATOM 1261 CB PRO A 81 10.089 0.994 13.804 1.00 0.00 C ATOM 1262 CG PRO A 81 11.043 0.967 14.968 1.00 0.00 C ATOM 1263 CD PRO A 81 12.336 0.273 14.498 1.00 0.00 C ATOM 0 HA PRO A 81 10.018 -1.021 12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.084 1.974 13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.069 0.793 14.131 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.256 1.979 15.312 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.605 0.430 15.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.163 0.981 14.433 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.639 -0.509 15.194 1.00 0.00 H new ATOM 1271 N VAL A 82 9.160 0.116 10.892 1.00 0.00 N ATOM 1272 CA VAL A 82 8.786 0.472 9.517 1.00 0.00 C ATOM 1273 C VAL A 82 8.252 1.900 9.495 1.00 0.00 C ATOM 1274 O VAL A 82 7.493 2.292 10.373 1.00 0.00 O ATOM 1275 CB VAL A 82 7.694 -0.501 8.984 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.881 -0.788 7.487 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.775 -1.828 9.737 1.00 0.00 C ATOM 0 H VAL A 82 8.410 -0.320 11.429 1.00 0.00 H new ATOM 0 HA VAL A 82 9.666 0.396 8.878 1.00 0.00 H new ATOM 0 HB VAL A 82 6.725 -0.025 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.102 -1.471 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.816 0.145 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.858 -1.242 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.009 -2.507 9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.759 -2.272 9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.615 -1.653 10.801 1.00 0.00 H new ATOM 1287 N LYS A 83 8.631 2.670 8.491 1.00 0.00 N ATOM 1288 CA LYS A 83 8.156 4.026 8.380 1.00 0.00 C ATOM 1289 C LYS A 83 6.810 4.010 7.666 1.00 0.00 C ATOM 1290 O LYS A 83 6.592 3.168 6.799 1.00 0.00 O ATOM 1291 CB LYS A 83 9.159 4.841 7.574 1.00 0.00 C ATOM 1292 CG LYS A 83 10.587 4.579 8.075 1.00 0.00 C ATOM 1293 CD LYS A 83 10.696 4.897 9.568 1.00 0.00 C ATOM 1294 CE LYS A 83 12.161 4.827 10.000 1.00 0.00 C ATOM 1295 NZ LYS A 83 12.262 5.158 11.449 1.00 0.00 N ATOM 0 H LYS A 83 9.264 2.376 7.747 1.00 0.00 H new ATOM 0 HA LYS A 83 8.044 4.473 9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.084 4.581 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.926 5.903 7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.856 3.538 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.294 5.190 7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.294 5.890 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.101 4.189 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.560 3.830 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.759 5.524 9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.257 5.112 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.896 6.118 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.703 4.476 12.001 1.00 0.00 H new ATOM 1309 N ASN A 84 5.918 4.930 8.047 1.00 0.00 N ATOM 1310 CA ASN A 84 4.583 5.022 7.449 1.00 0.00 C ATOM 1311 C ASN A 84 3.702 3.871 7.921 1.00 0.00 C ATOM 1312 O ASN A 84 2.582 3.690 7.444 1.00 0.00 O ATOM 1313 CB ASN A 84 4.666 5.018 5.912 1.00 0.00 C ATOM 1314 CG ASN A 84 5.646 6.079 5.422 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.476 6.625 4.333 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.672 6.396 6.159 1.00 0.00 N ATOM 0 H ASN A 84 6.098 5.625 8.771 1.00 0.00 H new ATOM 0 HA ASN A 84 4.139 5.964 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.982 4.035 5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.679 5.205 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.336 7.098 5.833 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.811 5.942 7.062 1.00 0.00 H new ATOM 1323 N ARG A 85 4.231 3.093 8.852 1.00 0.00 N ATOM 1324 CA ARG A 85 3.504 1.939 9.388 1.00 0.00 C ATOM 1325 C ARG A 85 2.055 2.286 9.686 1.00 0.00 C ATOM 1326 O ARG A 85 1.184 1.420 9.711 1.00 0.00 O ATOM 1327 CB ARG A 85 4.207 1.411 10.657 1.00 0.00 C ATOM 1328 CG ARG A 85 3.979 2.301 11.904 1.00 0.00 C ATOM 1329 CD ARG A 85 4.899 3.519 11.862 1.00 0.00 C ATOM 1330 NE ARG A 85 4.756 4.285 13.092 1.00 0.00 N ATOM 1331 CZ ARG A 85 5.520 5.342 13.341 1.00 0.00 C ATOM 1332 NH1 ARG A 85 6.419 5.720 12.474 1.00 0.00 N ATOM 1333 NH2 ARG A 85 5.374 5.999 14.459 1.00 0.00 N ATOM 0 H ARG A 85 5.157 3.234 9.255 1.00 0.00 H new ATOM 0 HA ARG A 85 3.507 1.156 8.630 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.849 0.404 10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.277 1.335 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.939 2.624 11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.168 1.725 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.934 3.201 11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.653 4.143 11.003 1.00 0.00 H new ATOM 0 HE ARG A 85 4.054 4.004 13.777 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.536 5.203 11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.005 6.532 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.675 5.700 15.139 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.959 6.811 14.653 1.00 0.00 H new ATOM 1347 N ASP A 86 1.812 3.556 9.914 1.00 0.00 N ATOM 1348 CA ASP A 86 0.471 4.026 10.218 1.00 0.00 C ATOM 1349 C ASP A 86 -0.366 4.111 8.953 1.00 0.00 C ATOM 1350 O ASP A 86 -1.543 3.742 8.944 1.00 0.00 O ATOM 1351 CB ASP A 86 0.544 5.398 10.890 1.00 0.00 C ATOM 1352 CG ASP A 86 -0.860 5.945 11.127 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -1.794 5.161 11.089 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -0.982 7.140 11.339 1.00 0.00 O ATOM 0 H ASP A 86 2.523 4.287 9.896 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.002 3.316 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.076 5.319 11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.110 6.088 10.264 1.00 0.00 H new ATOM 1359 N LEU A 87 0.254 4.581 7.882 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.432 4.700 6.622 1.00 0.00 C ATOM 1361 C LEU A 87 -0.679 3.316 6.083 1.00 0.00 C ATOM 1362 O LEU A 87 -1.761 3.011 5.598 1.00 0.00 O ATOM 1363 CB LEU A 87 0.428 5.500 5.640 1.00 0.00 C ATOM 1364 CG LEU A 87 0.914 6.811 6.297 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.705 7.667 5.288 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.283 7.621 6.809 1.00 0.00 C ATOM 0 H LEU A 87 1.228 4.883 7.868 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.380 5.220 6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.285 4.903 5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.148 5.727 4.743 1.00 0.00 H new ATOM 0 HG LEU A 87 1.565 6.548 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.038 8.585 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.572 7.107 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.065 7.914 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.072 8.543 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.942 7.863 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.831 7.034 7.546 1.00 0.00 H new ATOM 1378 N TRP A 88 0.345 2.486 6.199 1.00 0.00 N ATOM 1379 CA TRP A 88 0.286 1.120 5.744 1.00 0.00 C ATOM 1380 C TRP A 88 -0.754 0.322 6.524 1.00 0.00 C ATOM 1381 O TRP A 88 -1.706 -0.193 5.948 1.00 0.00 O ATOM 1382 CB TRP A 88 1.659 0.523 5.980 1.00 0.00 C ATOM 1383 CG TRP A 88 2.595 0.951 4.923 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.677 1.708 5.130 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.551 0.657 3.513 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.300 1.928 3.925 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.639 1.295 2.891 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.671 -0.091 2.725 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.846 1.199 1.523 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.873 -0.198 1.348 1.00 0.00 C ATOM 1391 CH2 TRP A 88 2.957 0.448 0.746 1.00 0.00 C ATOM 0 H TRP A 88 1.239 2.748 6.613 1.00 0.00 H new ATOM 0 HA TRP A 88 0.002 1.087 4.692 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.035 0.834 6.955 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.592 -0.565 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 88 4.007 2.085 6.087 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.144 2.488 3.809 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.830 -0.589 3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.685 1.699 1.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.191 -0.781 0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.108 0.367 -0.320 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.559 0.211 7.834 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.499 -0.546 8.659 1.00 0.00 C ATOM 1404 C GLU A 89 -2.930 -0.085 8.389 1.00 0.00 C ATOM 1405 O GLU A 89 -3.884 -0.857 8.510 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.183 -0.348 10.147 1.00 0.00 C ATOM 1407 CG GLU A 89 0.062 -1.147 10.527 1.00 0.00 C ATOM 1408 CD GLU A 89 0.436 -0.866 11.977 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.292 -0.130 12.623 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.443 -1.390 12.421 1.00 0.00 O ATOM 0 H GLU A 89 0.223 0.625 8.341 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.401 -1.601 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.024 0.710 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.030 -0.669 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.123 -2.212 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.890 -0.880 9.870 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.062 1.180 8.007 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.378 1.753 7.715 1.00 0.00 C ATOM 1419 C ALA A 90 -4.794 1.409 6.296 1.00 0.00 C ATOM 1420 O ALA A 90 -5.937 1.025 6.046 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.347 3.273 7.900 1.00 0.00 C ATOM 0 H ALA A 90 -2.282 1.827 7.892 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.105 1.330 8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.331 3.686 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.076 3.509 8.929 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.611 3.707 7.223 1.00 0.00 H new ATOM 1427 N LEU A 91 -3.850 1.511 5.379 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.099 1.173 4.003 1.00 0.00 C ATOM 1429 C LEU A 91 -4.385 -0.332 3.900 1.00 0.00 C ATOM 1430 O LEU A 91 -5.221 -0.766 3.114 1.00 0.00 O ATOM 1431 CB LEU A 91 -2.883 1.643 3.154 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.595 0.678 2.002 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.771 1.394 0.912 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.842 -0.587 2.511 1.00 0.00 C ATOM 0 H LEU A 91 -2.900 1.828 5.571 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.979 1.681 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.080 2.638 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.002 1.723 3.791 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.544 0.354 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.569 0.702 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.333 2.248 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.828 1.739 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.649 -1.257 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.896 -0.290 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.453 -1.100 3.253 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.697 -1.115 4.717 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.885 -2.562 4.729 1.00 0.00 C ATOM 1448 C LEU A 92 -5.280 -2.909 5.233 1.00 0.00 C ATOM 1449 O LEU A 92 -5.949 -3.784 4.686 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.818 -3.226 5.610 1.00 0.00 C ATOM 1451 CG LEU A 92 -2.922 -4.769 5.516 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.399 -5.259 4.158 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -2.108 -5.435 6.644 1.00 0.00 C ATOM 0 H LEU A 92 -3.002 -0.775 5.382 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.781 -2.938 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.826 -2.902 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.944 -2.909 6.645 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.972 -5.044 5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.479 -6.345 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.991 -4.814 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.355 -4.966 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.192 -6.519 6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.061 -5.145 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.495 -5.113 7.611 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.716 -2.207 6.270 1.00 0.00 N ATOM 1466 CA LEU A 93 -7.045 -2.444 6.826 1.00 0.00 C ATOM 1467 C LEU A 93 -8.086 -1.976 5.832 1.00 0.00 C ATOM 1468 O LEU A 93 -9.166 -2.554 5.705 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.215 -1.693 8.152 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.505 -2.452 9.291 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.209 -1.484 10.435 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.407 -3.572 9.822 1.00 0.00 C ATOM 0 H LEU A 93 -5.179 -1.478 6.739 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.169 -3.510 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.803 -0.688 8.064 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.275 -1.584 8.383 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.580 -2.880 8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.707 -2.017 11.242 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.565 -0.681 10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.143 -1.062 10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.895 -4.101 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.334 -3.143 10.202 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.634 -4.269 9.016 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.732 -0.916 5.135 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.609 -0.330 4.132 1.00 0.00 C ATOM 1486 C ALA A 94 -8.519 -1.094 2.814 1.00 0.00 C ATOM 1487 O ALA A 94 -9.374 -0.932 1.955 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.239 1.136 3.897 1.00 0.00 C ATOM 0 H ALA A 94 -6.838 -0.437 5.243 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.632 -0.392 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.902 1.563 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.343 1.691 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.208 1.200 3.550 1.00 0.00 H new ATOM 1494 N MET A 95 -7.488 -1.933 2.663 1.00 0.00 N ATOM 1495 CA MET A 95 -7.314 -2.724 1.429 1.00 0.00 C ATOM 1496 C MET A 95 -7.933 -4.104 1.560 1.00 0.00 C ATOM 1497 O MET A 95 -7.862 -4.922 0.642 1.00 0.00 O ATOM 1498 CB MET A 95 -5.824 -2.867 1.080 1.00 0.00 C ATOM 1499 CG MET A 95 -5.357 -1.638 0.298 1.00 0.00 C ATOM 1500 SD MET A 95 -3.555 -1.668 0.009 1.00 0.00 S ATOM 1501 CE MET A 95 -3.297 -3.418 -0.370 1.00 0.00 C ATOM 0 H MET A 95 -6.767 -2.084 3.368 1.00 0.00 H new ATOM 0 HA MET A 95 -7.825 -2.188 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.236 -2.975 1.991 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.664 -3.769 0.489 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.878 -1.595 -0.658 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.623 -0.735 0.847 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.411 -3.528 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.159 -3.975 0.557 1.00 0.00 H new ATOM 0 HE3 MET A 95 -4.166 -3.807 -0.901 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.526 -4.355 2.696 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.150 -5.650 2.936 1.00 0.00 C ATOM 1513 C ALA A 96 -10.432 -5.787 2.097 1.00 0.00 C ATOM 1514 O ALA A 96 -10.612 -6.785 1.400 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.432 -5.843 4.447 1.00 0.00 C ATOM 0 H ALA A 96 -8.596 -3.694 3.470 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.464 -6.438 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.898 -6.815 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.495 -5.793 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.102 -5.057 4.795 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.319 -4.820 2.152 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.604 -4.859 1.379 1.00 0.00 C ATOM 1523 C PRO A 97 -12.392 -4.877 -0.141 1.00 0.00 C ATOM 1524 O PRO A 97 -13.167 -5.492 -0.875 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.335 -3.570 1.814 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.672 -3.161 3.087 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.215 -3.581 2.937 1.00 0.00 C ATOM 0 HA PRO A 97 -13.164 -5.771 1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.248 -2.792 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.399 -3.751 1.964 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.757 -2.086 3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.135 -3.648 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.625 -2.823 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.741 -3.752 3.903 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.360 -4.170 -0.607 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.080 -4.081 -2.043 1.00 0.00 C ATOM 1537 C HIS A 98 -10.125 -5.165 -2.509 1.00 0.00 C ATOM 1538 O HIS A 98 -9.410 -5.776 -1.716 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.452 -2.725 -2.353 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.215 -1.655 -1.646 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.542 -1.372 -1.921 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -10.842 -0.792 -0.662 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.913 -0.370 -1.108 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -11.912 0.025 -0.318 1.00 0.00 N ATOM 0 H HIS A 98 -10.708 -3.654 -0.016 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.027 -4.208 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.409 -2.714 -2.037 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.461 -2.544 -3.428 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.860 -0.749 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.902 0.064 -1.095 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.929 0.765 0.384 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.105 -5.362 -3.825 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.213 -6.344 -4.447 1.00 0.00 C ATOM 1554 C ARG A 99 -8.003 -5.614 -5.007 1.00 0.00 C ATOM 1555 O ARG A 99 -7.078 -6.228 -5.541 1.00 0.00 O ATOM 1556 CB ARG A 99 -9.948 -7.112 -5.565 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.571 -8.394 -5.002 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.594 -8.041 -3.923 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.264 -9.250 -3.458 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.864 -9.297 -2.273 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -12.859 -8.248 -1.496 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.457 -10.393 -1.886 1.00 0.00 N ATOM 0 H ARG A 99 -10.696 -4.855 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.891 -7.071 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.724 -6.482 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.251 -7.359 -6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.052 -8.957 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.794 -9.034 -4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.098 -7.546 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.327 -7.339 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.272 -10.077 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.394 -7.392 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.320 -8.285 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.460 -11.213 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.918 -10.430 -0.977 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.046 -4.295 -4.840 1.00 0.00 N ATOM 1577 CA VAL A 100 -6.984 -3.371 -5.274 1.00 0.00 C ATOM 1578 C VAL A 100 -5.787 -4.090 -5.894 1.00 0.00 C ATOM 1579 O VAL A 100 -5.053 -4.802 -5.212 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.500 -2.603 -4.051 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -5.903 -3.609 -3.043 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.433 -1.580 -4.476 1.00 0.00 C ATOM 0 H VAL A 100 -8.831 -3.823 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.404 -2.716 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.329 -2.069 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.551 -3.075 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.668 -4.328 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.068 -4.135 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.087 -1.030 -3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.592 -2.101 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.863 -0.883 -5.195 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.603 -3.899 -7.187 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.498 -4.526 -7.902 1.00 0.00 C ATOM 1594 C ARG A 101 -3.296 -3.587 -7.923 1.00 0.00 C ATOM 1595 O ARG A 101 -3.455 -2.364 -7.859 1.00 0.00 O ATOM 1596 CB ARG A 101 -4.949 -4.819 -9.328 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.084 -5.853 -9.318 1.00 0.00 C ATOM 1598 CD ARG A 101 -6.892 -5.721 -10.609 1.00 0.00 C ATOM 1599 NE ARG A 101 -7.875 -6.793 -10.708 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.508 -8.026 -11.034 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.252 -8.290 -11.270 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.401 -8.972 -11.120 1.00 0.00 N ATOM 0 H ARG A 101 -6.204 -3.314 -7.768 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.210 -5.452 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.287 -3.900 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.110 -5.194 -9.914 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.675 -6.860 -9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.729 -5.696 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.396 -4.755 -10.633 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.223 -5.753 -11.469 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.858 -6.593 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.554 -7.549 -11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -5.968 -9.237 -11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.383 -8.765 -10.937 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.118 -9.919 -11.371 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.095 -4.157 -8.032 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.871 -3.354 -8.078 1.00 0.00 C ATOM 1618 C PHE A 102 -0.316 -3.336 -9.501 1.00 0.00 C ATOM 1619 O PHE A 102 -0.146 -4.385 -10.122 1.00 0.00 O ATOM 1620 CB PHE A 102 0.191 -3.937 -7.141 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.413 -4.299 -5.793 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.154 -3.353 -5.061 1.00 0.00 C ATOM 1623 CD2 PHE A 102 -0.213 -5.586 -5.265 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.691 -3.698 -3.808 1.00 0.00 C ATOM 1625 CE2 PHE A 102 -0.743 -5.924 -4.018 1.00 0.00 C ATOM 1626 CZ PHE A 102 -1.480 -4.987 -3.290 1.00 0.00 C ATOM 0 H PHE A 102 -1.943 -5.164 -8.090 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.115 -2.341 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.635 -4.823 -7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.995 -3.214 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.310 -2.362 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.352 -6.316 -5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.263 -2.975 -3.246 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.583 -6.913 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.889 -5.254 -2.327 1.00 0.00 H new ATOM 1636 N HIS A 103 -0.032 -2.138 -10.012 1.00 0.00 N ATOM 1637 CA HIS A 103 0.507 -1.985 -11.368 1.00 0.00 C ATOM 1638 C HIS A 103 1.688 -1.016 -11.369 1.00 0.00 C ATOM 1639 O HIS A 103 1.529 0.174 -11.617 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.598 -1.457 -12.300 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.407 -2.603 -12.855 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.247 -3.053 -14.157 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.375 -3.404 -12.299 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -2.097 -4.079 -14.340 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.809 -4.334 -13.239 1.00 0.00 N ATOM 0 H HIS A 103 -0.165 -1.260 -9.511 1.00 0.00 H new ATOM 0 HA HIS A 103 0.854 -2.956 -11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.249 -0.775 -11.753 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.153 -0.888 -13.116 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.743 -3.324 -11.287 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.192 -4.630 -15.264 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.519 -5.056 -13.114 1.00 0.00 H new ATOM 1653 N PHE A 104 2.875 -1.523 -11.104 1.00 0.00 N ATOM 1654 CA PHE A 104 4.043 -0.671 -11.089 1.00 0.00 C ATOM 1655 C PHE A 104 4.340 -0.174 -12.504 1.00 0.00 C ATOM 1656 O PHE A 104 4.958 -0.875 -13.306 1.00 0.00 O ATOM 1657 CB PHE A 104 5.242 -1.439 -10.507 1.00 0.00 C ATOM 1658 CG PHE A 104 4.741 -2.572 -9.635 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.197 -2.295 -8.375 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.812 -3.894 -10.091 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.726 -3.340 -7.571 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.339 -4.939 -9.288 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.796 -4.662 -8.028 1.00 0.00 C ATOM 0 H PHE A 104 3.054 -2.506 -10.899 1.00 0.00 H new ATOM 0 HA PHE A 104 3.855 0.196 -10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.861 -1.833 -11.313 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.869 -0.766 -9.923 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.141 -1.275 -8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.232 -4.108 -11.063 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.309 -3.127 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.393 -5.958 -9.641 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.431 -5.468 -7.408 1.00 0.00 H new ATOM 1673 N VAL A 105 3.886 1.043 -12.796 1.00 0.00 N ATOM 1674 CA VAL A 105 4.082 1.654 -14.098 1.00 0.00 C ATOM 1675 C VAL A 105 5.333 2.523 -14.069 1.00 0.00 C ATOM 1676 O VAL A 105 5.265 3.745 -13.982 1.00 0.00 O ATOM 1677 CB VAL A 105 2.830 2.487 -14.440 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.127 3.503 -15.560 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.709 1.537 -14.886 1.00 0.00 C ATOM 0 H VAL A 105 3.374 1.628 -12.135 1.00 0.00 H new ATOM 0 HA VAL A 105 4.221 0.892 -14.865 1.00 0.00 H new ATOM 0 HB VAL A 105 2.524 3.043 -13.554 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.226 4.076 -15.780 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.918 4.180 -15.237 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.448 2.973 -16.457 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.818 2.115 -15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.033 0.980 -15.765 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.480 0.841 -14.079 1.00 0.00 H new ATOM 1689 N LYS A 106 6.480 1.869 -14.149 1.00 0.00 N ATOM 1690 CA LYS A 106 7.765 2.567 -14.145 1.00 0.00 C ATOM 1691 C LYS A 106 8.418 2.469 -15.519 1.00 0.00 C ATOM 1692 O LYS A 106 8.470 1.372 -16.051 1.00 0.00 O ATOM 1693 CB LYS A 106 8.693 1.945 -13.107 1.00 0.00 C ATOM 1694 CG LYS A 106 8.121 2.153 -11.707 1.00 0.00 C ATOM 1695 CD LYS A 106 9.056 1.510 -10.682 1.00 0.00 C ATOM 1696 CE LYS A 106 8.520 1.761 -9.272 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.429 1.125 -8.277 1.00 0.00 N ATOM 0 H LYS A 106 6.553 0.854 -14.218 1.00 0.00 H new ATOM 0 HA LYS A 106 7.591 3.614 -13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.813 0.880 -13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.683 2.396 -13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.012 3.218 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.127 1.711 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.134 0.439 -10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.060 1.924 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.449 2.832 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.514 1.353 -9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.917 0.977 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.758 0.209 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.247 1.745 -8.108 1.00 0.00 H new