USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 28 THR OG1 : rot 80:sc= -0.196 USER MOD Set 1.2: A 45 ASN : amide:sc= -1.01 K(o=-1.2,f=-1.9) USER MOD Set 2.1: A 22 TYR OH : rot -42:sc= 1.96 USER MOD Set 2.2: A 101 GLN : amide:sc= 0.406 K(o=3.4,f=-1.7!) USER MOD Set 2.3: A 104 LYS NZ :NH3+ 171:sc= 0.997 (180deg=-0.343!) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.113 (180deg=-0.505) USER MOD Single : A 9 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0038) USER MOD Single : A 13 GLN : amide:sc=-0.00996 X(o=-0.01,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -113:sc= 1.03 (180deg=-1.02) USER MOD Single : A 18 CYS SG : rot 100:sc= -0.688 USER MOD Single : A 20 SER OG : rot 91:sc= 1.15 USER MOD Single : A 38 ASN : amide:sc= -1.38 K(o=-1.4,f=-8.6!) USER MOD Single : A 41 THR OG1 : rot 36:sc= 1.22 USER MOD Single : A 42 SER OG : rot -88:sc= -0.795! USER MOD Single : A 47 GLN :FLIP amide:sc= -2.08! C(o=-3.4!,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.04) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 57 SER OG : rot 44:sc= 0.821 USER MOD Single : A 60 MET CE :methyl -128:sc= -2.41 (180deg=-3.49!) USER MOD Single : A 61 SER OG : rot 69:sc= 1.39 USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.455) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 0.578 (180deg=-1.47) USER MOD Single : A 66 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 73 SER OG : rot 79:sc= 1.3 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 83 THR OG1 : rot 83:sc= -0.779! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 88 SER OG : rot 58:sc= 1.13 USER MOD Single : A 89 SER OG : rot 147:sc= 0.92 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 1.06 K(o=1.1,f=-0.014) USER MOD Single : A 98 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.51) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 145:sc= 1.29 USER MOD Single : A 112 SER OG : rot 93:sc= 1.24 USER MOD Single : A 115 TYR OH : rot 119:sc= 1.23 USER MOD Single : A 117 SER OG : rot 170:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -8.893 -15.507 -4.003 1.00 0.00 N ATOM 92 CA LYS A 7 -7.494 -15.085 -4.107 1.00 0.00 C ATOM 93 C LYS A 7 -7.293 -13.992 -5.166 1.00 0.00 C ATOM 94 O LYS A 7 -6.542 -13.036 -4.932 1.00 0.00 O ATOM 95 CB LYS A 7 -6.573 -16.278 -4.337 1.00 0.00 C ATOM 96 CG LYS A 7 -6.416 -17.171 -3.095 1.00 0.00 C ATOM 97 CD LYS A 7 -6.591 -18.649 -3.423 1.00 0.00 C ATOM 98 CE LYS A 7 -8.061 -19.054 -3.527 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.845 -18.800 -2.274 1.00 0.00 N ATOM 0 HA LYS A 7 -7.221 -14.639 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.963 -16.877 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.591 -15.917 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.430 -17.012 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.149 -16.878 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.089 -18.871 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.106 -19.249 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.522 -18.509 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.120 -20.114 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.706 -19.383 -2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.265 -19.045 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.108 -17.795 -2.227 1.00 0.00 H new ATOM 113 N ARG A 8 -8.016 -14.086 -6.294 1.00 0.00 N ATOM 114 CA ARG A 8 -7.956 -13.025 -7.309 1.00 0.00 C ATOM 115 C ARG A 8 -8.470 -11.702 -6.731 1.00 0.00 C ATOM 116 O ARG A 8 -7.821 -10.653 -6.891 1.00 0.00 O ATOM 117 CB ARG A 8 -8.713 -13.396 -8.584 1.00 0.00 C ATOM 118 CG ARG A 8 -10.144 -13.828 -8.379 1.00 0.00 C ATOM 119 CD ARG A 8 -10.705 -14.391 -9.667 1.00 0.00 C ATOM 120 NE ARG A 8 -11.757 -13.545 -10.257 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.064 -13.501 -11.577 1.00 0.00 C ATOM 122 NH1 ARG A 8 -11.360 -14.232 -12.459 1.00 0.00 N ATOM 123 NH2 ARG A 8 -13.072 -12.730 -11.999 1.00 0.00 N ATOM 0 H ARG A 8 -8.634 -14.865 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.910 -12.903 -7.590 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.702 -12.538 -9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.176 -14.201 -9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.196 -14.579 -7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.745 -12.980 -8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.896 -14.510 -10.388 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.110 -15.385 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.293 -12.949 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.593 -14.821 -12.136 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.593 -14.197 -13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.607 -12.178 -11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.306 -12.694 -12.991 1.00 0.00 H new ATOM 137 N HIS A 9 -9.580 -11.782 -5.959 1.00 0.00 N ATOM 138 CA HIS A 9 -10.122 -10.623 -5.241 1.00 0.00 C ATOM 139 C HIS A 9 -9.073 -10.110 -4.277 1.00 0.00 C ATOM 140 O HIS A 9 -8.739 -8.941 -4.305 1.00 0.00 O ATOM 141 CB HIS A 9 -11.388 -10.979 -4.429 1.00 0.00 C ATOM 142 CG HIS A 9 -12.667 -11.007 -5.201 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.840 -10.453 -4.725 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.978 -11.564 -6.397 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.813 -10.673 -5.592 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.317 -11.345 -6.617 1.00 0.00 N ATOM 0 H HIS A 9 -10.112 -12.642 -5.823 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.390 -9.871 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.240 -11.957 -3.971 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.491 -10.259 -3.617 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.299 -12.084 -7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.840 -10.357 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.842 -11.651 -7.436 1.00 0.00 H new ATOM 155 N ASP A 10 -8.541 -11.015 -3.430 1.00 0.00 N ATOM 156 CA ASP A 10 -7.496 -10.663 -2.446 1.00 0.00 C ATOM 157 C ASP A 10 -6.373 -9.891 -3.129 1.00 0.00 C ATOM 158 O ASP A 10 -6.035 -8.779 -2.719 1.00 0.00 O ATOM 159 CB ASP A 10 -6.910 -11.921 -1.766 1.00 0.00 C ATOM 160 CG ASP A 10 -7.866 -12.616 -0.848 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.295 -12.012 0.144 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.158 -13.810 -1.090 1.00 0.00 O ATOM 0 H ASP A 10 -8.818 -11.996 -3.408 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.961 -10.043 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.587 -12.621 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.022 -11.636 -1.202 1.00 0.00 H new ATOM 167 N VAL A 11 -5.815 -10.473 -4.191 1.00 0.00 N ATOM 168 CA VAL A 11 -4.764 -9.816 -4.965 1.00 0.00 C ATOM 169 C VAL A 11 -5.249 -8.426 -5.423 1.00 0.00 C ATOM 170 O VAL A 11 -4.608 -7.401 -5.119 1.00 0.00 O ATOM 171 CB VAL A 11 -4.339 -10.688 -6.195 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.475 -9.905 -7.175 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.603 -11.942 -5.732 1.00 0.00 C ATOM 0 H VAL A 11 -6.074 -11.398 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.887 -9.696 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.251 -10.980 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.202 -10.547 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.032 -9.044 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.571 -9.563 -6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.315 -12.536 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.710 -11.656 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.257 -12.531 -5.089 1.00 0.00 H new ATOM 183 N ALA A 12 -6.420 -8.392 -6.096 1.00 0.00 N ATOM 184 CA ALA A 12 -7.027 -7.128 -6.532 1.00 0.00 C ATOM 185 C ALA A 12 -7.144 -6.166 -5.353 1.00 0.00 C ATOM 186 O ALA A 12 -6.789 -4.997 -5.467 1.00 0.00 O ATOM 187 CB ALA A 12 -8.401 -7.364 -7.164 1.00 0.00 C ATOM 0 H ALA A 12 -6.956 -9.223 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.380 -6.685 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.826 -6.410 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.296 -8.016 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.061 -7.833 -6.435 1.00 0.00 H new ATOM 193 N GLN A 13 -7.628 -6.679 -4.224 1.00 0.00 N ATOM 194 CA GLN A 13 -7.767 -5.911 -2.982 1.00 0.00 C ATOM 195 C GLN A 13 -6.418 -5.314 -2.580 1.00 0.00 C ATOM 196 O GLN A 13 -6.309 -4.108 -2.331 1.00 0.00 O ATOM 197 CB GLN A 13 -8.283 -6.830 -1.851 1.00 0.00 C ATOM 198 CG GLN A 13 -9.699 -7.347 -2.051 1.00 0.00 C ATOM 199 CD GLN A 13 -10.676 -6.748 -1.073 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.604 -6.039 -1.470 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.488 -7.015 0.205 1.00 0.00 N ATOM 0 H GLN A 13 -7.938 -7.647 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.481 -5.104 -3.146 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.609 -7.682 -1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.239 -6.284 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.024 -7.123 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.704 -8.432 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.708 -7.606 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.122 -6.630 0.905 1.00 0.00 H new ATOM 210 N LEU A 14 -5.387 -6.169 -2.538 1.00 0.00 N ATOM 211 CA LEU A 14 -4.030 -5.746 -2.176 1.00 0.00 C ATOM 212 C LEU A 14 -3.565 -4.588 -3.065 1.00 0.00 C ATOM 213 O LEU A 14 -3.083 -3.557 -2.556 1.00 0.00 O ATOM 214 CB LEU A 14 -3.048 -6.938 -2.248 1.00 0.00 C ATOM 215 CG LEU A 14 -1.792 -6.870 -1.350 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.123 -6.337 0.036 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.153 -8.244 -1.234 1.00 0.00 C ATOM 0 H LEU A 14 -5.470 -7.163 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.046 -5.388 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.597 -7.845 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.719 -7.044 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.089 -6.181 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.216 -6.303 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.539 -5.333 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.852 -6.992 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.269 -8.182 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.867 -8.941 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.864 -8.596 -2.224 1.00 0.00 H new ATOM 229 N LYS A 15 -3.756 -4.731 -4.388 1.00 0.00 N ATOM 230 CA LYS A 15 -3.398 -3.660 -5.320 1.00 0.00 C ATOM 231 C LYS A 15 -4.306 -2.454 -5.109 1.00 0.00 C ATOM 232 O LYS A 15 -3.817 -1.339 -4.913 1.00 0.00 O ATOM 233 CB LYS A 15 -3.469 -4.122 -6.789 1.00 0.00 C ATOM 234 CG LYS A 15 -3.016 -3.055 -7.798 1.00 0.00 C ATOM 235 CD LYS A 15 -2.449 -3.684 -9.069 1.00 0.00 C ATOM 236 CE LYS A 15 -2.590 -2.754 -10.282 1.00 0.00 C ATOM 237 NZ LYS A 15 -1.940 -1.423 -10.077 1.00 0.00 N ATOM 0 H LYS A 15 -4.150 -5.564 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.365 -3.380 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.849 -5.010 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.494 -4.414 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.860 -2.415 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.260 -2.418 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.397 -3.924 -8.917 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.965 -4.623 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.151 -3.236 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.648 -2.606 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.669 -0.682 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.410 -1.430 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.288 -1.230 -10.864 1.00 0.00 H new ATOM 251 N PHE A 16 -5.629 -2.687 -5.148 1.00 0.00 N ATOM 252 CA PHE A 16 -6.623 -1.618 -4.970 1.00 0.00 C ATOM 253 C PHE A 16 -6.312 -0.776 -3.760 1.00 0.00 C ATOM 254 O PHE A 16 -6.377 0.449 -3.834 1.00 0.00 O ATOM 255 CB PHE A 16 -8.053 -2.171 -4.856 1.00 0.00 C ATOM 256 CG PHE A 16 -9.121 -1.322 -5.520 1.00 0.00 C ATOM 257 CD1 PHE A 16 -8.840 -0.537 -6.637 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.412 -1.323 -5.026 1.00 0.00 C ATOM 259 CE1 PHE A 16 -9.828 0.221 -7.228 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.399 -0.568 -5.617 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.108 0.202 -6.716 1.00 0.00 C ATOM 0 H PHE A 16 -6.035 -3.610 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.567 -0.995 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.077 -3.168 -5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.301 -2.281 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.839 -0.523 -7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.650 -1.926 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.600 0.829 -8.091 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.402 -0.581 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.883 0.794 -7.180 1.00 0.00 H new ATOM 271 N LEU A 17 -5.998 -1.416 -2.635 1.00 0.00 N ATOM 272 CA LEU A 17 -5.674 -0.675 -1.417 1.00 0.00 C ATOM 273 C LEU A 17 -4.492 0.260 -1.671 1.00 0.00 C ATOM 274 O LEU A 17 -4.585 1.468 -1.416 1.00 0.00 O ATOM 275 CB LEU A 17 -5.379 -1.622 -0.244 1.00 0.00 C ATOM 276 CG LEU A 17 -6.509 -1.777 0.796 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.835 -0.445 1.460 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.757 -2.370 0.160 1.00 0.00 C ATOM 0 H LEU A 17 -5.961 -2.431 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.543 -0.077 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.145 -2.607 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.485 -1.267 0.269 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.154 -2.463 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.634 -0.587 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.948 -0.064 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.156 0.270 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.538 -2.469 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.105 -1.715 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.524 -3.352 -0.252 1.00 0.00 H new ATOM 290 N CYS A 18 -3.415 -0.285 -2.268 1.00 0.00 N ATOM 291 CA CYS A 18 -2.249 0.524 -2.641 1.00 0.00 C ATOM 292 C CYS A 18 -2.661 1.635 -3.608 1.00 0.00 C ATOM 293 O CYS A 18 -2.361 2.801 -3.372 1.00 0.00 O ATOM 294 CB CYS A 18 -1.142 -0.334 -3.279 1.00 0.00 C ATOM 295 SG CYS A 18 0.466 0.492 -3.374 1.00 0.00 S ATOM 0 H CYS A 18 -3.332 -1.275 -2.499 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.851 0.965 -1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.033 -1.254 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.452 -0.620 -4.284 1.00 0.00 H new ATOM 0 HG CYS A 18 1.221 0.086 -2.396 1.00 0.00 H new ATOM 301 N GLU A 19 -3.367 1.262 -4.687 1.00 0.00 N ATOM 302 CA GLU A 19 -3.844 2.233 -5.689 1.00 0.00 C ATOM 303 C GLU A 19 -4.672 3.326 -5.019 1.00 0.00 C ATOM 304 O GLU A 19 -4.363 4.517 -5.146 1.00 0.00 O ATOM 305 CB GLU A 19 -4.680 1.531 -6.767 1.00 0.00 C ATOM 306 CG GLU A 19 -3.909 0.505 -7.581 1.00 0.00 C ATOM 307 CD GLU A 19 -4.583 0.180 -8.872 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.759 -0.192 -8.854 1.00 0.00 O ATOM 309 OE2 GLU A 19 -3.922 0.280 -9.917 1.00 0.00 O ATOM 0 H GLU A 19 -3.621 0.295 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.974 2.688 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.527 1.038 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.087 2.283 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.907 0.884 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.793 -0.407 -6.995 1.00 0.00 H new ATOM 316 N SER A 20 -5.684 2.909 -4.258 1.00 0.00 N ATOM 317 CA SER A 20 -6.527 3.838 -3.510 1.00 0.00 C ATOM 318 C SER A 20 -5.654 4.745 -2.650 1.00 0.00 C ATOM 319 O SER A 20 -5.761 5.978 -2.727 1.00 0.00 O ATOM 320 CB SER A 20 -7.531 3.090 -2.614 1.00 0.00 C ATOM 321 OG SER A 20 -8.232 2.050 -3.321 1.00 0.00 O ATOM 0 H SER A 20 -5.940 1.928 -4.144 1.00 0.00 H new ATOM 0 HA SER A 20 -7.090 4.435 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.002 2.656 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.252 3.800 -2.210 1.00 0.00 H new ATOM 0 HG SER A 20 -7.739 1.207 -3.236 1.00 0.00 H new ATOM 327 N LEU A 21 -4.757 4.130 -1.864 1.00 0.00 N ATOM 328 CA LEU A 21 -3.832 4.878 -1.024 1.00 0.00 C ATOM 329 C LEU A 21 -3.025 5.847 -1.857 1.00 0.00 C ATOM 330 O LEU A 21 -2.943 7.020 -1.529 1.00 0.00 O ATOM 331 CB LEU A 21 -2.892 3.942 -0.257 1.00 0.00 C ATOM 332 CG LEU A 21 -1.844 4.630 0.628 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.344 4.779 2.051 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.527 3.875 0.590 1.00 0.00 C ATOM 0 H LEU A 21 -4.659 3.117 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.424 5.437 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.495 3.285 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.374 3.308 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.672 5.630 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.581 5.270 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.253 5.380 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.558 3.794 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.201 4.381 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.680 2.858 0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.155 3.843 -0.434 1.00 0.00 H new ATOM 346 N TYR A 22 -2.430 5.353 -2.931 1.00 0.00 N ATOM 347 CA TYR A 22 -1.636 6.188 -3.819 1.00 0.00 C ATOM 348 C TYR A 22 -2.441 7.382 -4.305 1.00 0.00 C ATOM 349 O TYR A 22 -1.912 8.492 -4.409 1.00 0.00 O ATOM 350 CB TYR A 22 -1.114 5.389 -5.017 1.00 0.00 C ATOM 351 CG TYR A 22 0.220 5.871 -5.519 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.312 5.937 -4.671 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.392 6.259 -6.838 1.00 0.00 C ATOM 354 CE1 TYR A 22 2.528 6.370 -5.114 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.616 6.687 -7.291 1.00 0.00 C ATOM 356 CZ TYR A 22 2.676 6.743 -6.425 1.00 0.00 C ATOM 357 OH TYR A 22 3.910 7.141 -6.887 1.00 0.00 O ATOM 0 H TYR A 22 -2.482 4.373 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.781 6.549 -3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.031 4.339 -4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.841 5.446 -5.827 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.200 5.640 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.446 6.224 -7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.368 6.419 -4.437 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.742 6.978 -8.324 1.00 0.00 H new ATOM 0 HH TYR A 22 4.339 7.717 -6.220 1.00 0.00 H new ATOM 367 N ASP A 23 -3.724 7.162 -4.590 1.00 0.00 N ATOM 368 CA ASP A 23 -4.595 8.239 -5.064 1.00 0.00 C ATOM 369 C ASP A 23 -4.748 9.307 -3.998 1.00 0.00 C ATOM 370 O ASP A 23 -4.430 10.484 -4.236 1.00 0.00 O ATOM 371 CB ASP A 23 -5.974 7.704 -5.488 1.00 0.00 C ATOM 372 CG ASP A 23 -6.764 8.705 -6.264 1.00 0.00 C ATOM 373 OD1 ASP A 23 -7.322 9.625 -5.665 1.00 0.00 O ATOM 374 OD2 ASP A 23 -6.814 8.590 -7.482 1.00 0.00 O ATOM 0 H ASP A 23 -4.182 6.255 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.125 8.682 -5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.841 6.805 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.535 7.413 -4.600 1.00 0.00 H new ATOM 379 N GLU A 24 -5.168 8.891 -2.814 1.00 0.00 N ATOM 380 CA GLU A 24 -5.311 9.817 -1.687 1.00 0.00 C ATOM 381 C GLU A 24 -3.947 10.419 -1.322 1.00 0.00 C ATOM 382 O GLU A 24 -3.835 11.619 -1.050 1.00 0.00 O ATOM 383 CB GLU A 24 -5.952 9.127 -0.450 1.00 0.00 C ATOM 384 CG GLU A 24 -6.981 8.030 -0.752 1.00 0.00 C ATOM 385 CD GLU A 24 -8.390 8.492 -0.606 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.864 8.582 0.515 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.034 8.755 -1.626 1.00 0.00 O ATOM 0 H GLU A 24 -5.416 7.925 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.983 10.617 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.155 8.694 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.433 9.892 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.828 7.667 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.811 7.187 -0.083 1.00 0.00 H new ATOM 394 N GLY A 25 -2.917 9.576 -1.326 1.00 0.00 N ATOM 395 CA GLY A 25 -1.579 9.996 -0.997 1.00 0.00 C ATOM 396 C GLY A 25 -1.054 11.050 -1.917 1.00 0.00 C ATOM 397 O GLY A 25 -0.740 12.134 -1.463 1.00 0.00 O ATOM 0 H GLY A 25 -2.998 8.586 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.564 10.374 0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.915 9.132 -1.027 1.00 0.00 H new ATOM 401 N ILE A 26 -0.990 10.766 -3.228 1.00 0.00 N ATOM 402 CA ILE A 26 -0.503 11.771 -4.192 1.00 0.00 C ATOM 403 C ILE A 26 -1.277 13.088 -4.027 1.00 0.00 C ATOM 404 O ILE A 26 -0.686 14.175 -4.098 1.00 0.00 O ATOM 405 CB ILE A 26 -0.588 11.272 -5.678 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.227 9.988 -5.876 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.091 12.337 -6.651 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.710 10.163 -5.621 1.00 0.00 C ATOM 0 H ILE A 26 -1.261 9.873 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 26 0.551 11.939 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.638 11.066 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.159 9.217 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.082 9.630 -6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.163 11.960 -7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.702 13.234 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.948 12.579 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.221 9.214 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.111 10.911 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.866 10.491 -4.593 1.00 0.00 H new ATOM 420 N ALA A 27 -2.588 12.979 -3.780 1.00 0.00 N ATOM 421 CA ALA A 27 -3.435 14.147 -3.581 1.00 0.00 C ATOM 422 C ALA A 27 -3.073 14.899 -2.292 1.00 0.00 C ATOM 423 O ALA A 27 -2.966 16.127 -2.303 1.00 0.00 O ATOM 424 CB ALA A 27 -4.909 13.749 -3.569 1.00 0.00 C ATOM 0 H ALA A 27 -3.081 12.088 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.260 14.822 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.524 14.636 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.168 13.284 -4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.088 13.042 -2.759 1.00 0.00 H new ATOM 430 N THR A 28 -2.952 14.175 -1.172 1.00 0.00 N ATOM 431 CA THR A 28 -2.673 14.828 0.114 1.00 0.00 C ATOM 432 C THR A 28 -1.176 15.099 0.363 1.00 0.00 C ATOM 433 O THR A 28 -0.813 16.165 0.885 1.00 0.00 O ATOM 434 CB THR A 28 -3.382 14.113 1.284 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.283 14.825 2.509 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.928 12.711 1.539 1.00 0.00 C ATOM 0 H THR A 28 -3.040 13.160 -1.128 1.00 0.00 H new ATOM 0 HA THR A 28 -3.111 15.824 0.054 1.00 0.00 H new ATOM 0 HB THR A 28 -4.417 14.079 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.945 15.548 2.522 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.485 12.295 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.104 12.104 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.863 12.710 1.773 1.00 0.00 H new ATOM 444 N LEU A 29 -0.308 14.171 -0.046 1.00 0.00 N ATOM 445 CA LEU A 29 1.135 14.338 0.113 1.00 0.00 C ATOM 446 C LEU A 29 1.663 15.504 -0.734 1.00 0.00 C ATOM 447 O LEU A 29 2.715 16.074 -0.416 1.00 0.00 O ATOM 448 CB LEU A 29 1.890 13.046 -0.247 1.00 0.00 C ATOM 449 CG LEU A 29 1.499 11.773 0.535 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.758 10.525 -0.284 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.245 11.691 1.852 1.00 0.00 C ATOM 0 H LEU A 29 -0.582 13.295 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 29 1.315 14.566 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.743 12.851 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.955 13.222 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 29 0.431 11.835 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.473 9.645 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.170 10.563 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.817 10.467 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.950 10.785 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.318 11.667 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.004 12.562 2.461 1.00 0.00 H new ATOM 576 N ASN A 38 0.601 19.098 5.756 1.00 0.00 N ATOM 577 CA ASN A 38 -0.451 18.128 5.464 1.00 0.00 C ATOM 578 C ASN A 38 -0.938 17.603 6.794 1.00 0.00 C ATOM 579 O ASN A 38 -0.151 17.046 7.566 1.00 0.00 O ATOM 580 CB ASN A 38 0.067 16.945 4.601 1.00 0.00 C ATOM 581 CG ASN A 38 1.374 16.354 5.117 1.00 0.00 C ATOM 582 OD1 ASN A 38 2.444 16.879 4.819 1.00 0.00 O ATOM 583 ND2 ASN A 38 1.302 15.294 5.912 1.00 0.00 N ATOM 0 HA ASN A 38 -1.245 18.611 4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.692 16.163 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.210 17.286 3.576 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.154 14.887 6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.395 14.886 6.137 1.00 0.00 H new ATOM 590 N ASP A 39 -2.189 17.904 7.127 1.00 0.00 N ATOM 591 CA ASP A 39 -2.732 17.542 8.430 1.00 0.00 C ATOM 592 C ASP A 39 -2.780 16.047 8.595 1.00 0.00 C ATOM 593 O ASP A 39 -3.533 15.377 7.882 1.00 0.00 O ATOM 594 CB ASP A 39 -4.142 18.106 8.627 1.00 0.00 C ATOM 595 CG ASP A 39 -4.506 18.236 10.063 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.776 17.229 10.710 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.524 19.351 10.558 1.00 0.00 O ATOM 0 H ASP A 39 -2.842 18.395 6.516 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.069 17.973 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.210 19.083 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.863 17.457 8.130 1.00 0.00 H new ATOM 602 N PRO A 40 -2.040 15.485 9.577 1.00 0.00 N ATOM 603 CA PRO A 40 -2.083 14.040 9.855 1.00 0.00 C ATOM 604 C PRO A 40 -3.522 13.555 10.119 1.00 0.00 C ATOM 605 O PRO A 40 -3.823 12.366 9.959 1.00 0.00 O ATOM 606 CB PRO A 40 -1.230 13.889 11.126 1.00 0.00 C ATOM 607 CG PRO A 40 -0.354 15.098 11.153 1.00 0.00 C ATOM 608 CD PRO A 40 -1.153 16.205 10.522 1.00 0.00 C ATOM 0 HA PRO A 40 -1.719 13.449 9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.856 13.836 12.017 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.638 12.974 11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.073 15.353 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.570 14.922 10.603 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.724 16.763 11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.513 16.921 10.007 1.00 0.00 H new ATOM 616 N THR A 41 -4.398 14.478 10.522 1.00 0.00 N ATOM 617 CA THR A 41 -5.782 14.161 10.800 1.00 0.00 C ATOM 618 C THR A 41 -6.748 14.793 9.788 1.00 0.00 C ATOM 619 O THR A 41 -7.957 14.928 10.054 1.00 0.00 O ATOM 620 CB THR A 41 -6.122 14.529 12.246 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.475 15.752 12.666 1.00 0.00 O ATOM 622 CG2 THR A 41 -5.664 13.460 13.175 1.00 0.00 C ATOM 0 H THR A 41 -4.160 15.460 10.661 1.00 0.00 H new ATOM 0 HA THR A 41 -5.912 13.085 10.684 1.00 0.00 H new ATOM 0 HB THR A 41 -7.204 14.654 12.280 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.443 16.380 11.914 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.913 13.737 14.199 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.158 12.522 12.922 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.585 13.337 13.085 1.00 0.00 H new ATOM 630 N SER A 42 -6.237 15.097 8.602 1.00 0.00 N ATOM 631 CA SER A 42 -7.060 15.588 7.526 1.00 0.00 C ATOM 632 C SER A 42 -7.902 14.430 7.012 1.00 0.00 C ATOM 633 O SER A 42 -7.456 13.269 7.068 1.00 0.00 O ATOM 634 CB SER A 42 -6.196 16.159 6.392 1.00 0.00 C ATOM 635 OG SER A 42 -5.148 15.268 6.012 1.00 0.00 O ATOM 0 H SER A 42 -5.248 15.008 8.369 1.00 0.00 H new ATOM 0 HA SER A 42 -7.699 16.393 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.826 16.366 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.766 17.109 6.708 1.00 0.00 H new ATOM 0 HG SER A 42 -4.362 15.429 6.574 1.00 0.00 H new ATOM 641 N ALA A 43 -9.112 14.720 6.534 1.00 0.00 N ATOM 642 CA ALA A 43 -10.015 13.675 6.028 1.00 0.00 C ATOM 643 C ALA A 43 -9.259 12.614 5.222 1.00 0.00 C ATOM 644 O ALA A 43 -9.341 11.412 5.519 1.00 0.00 O ATOM 645 CB ALA A 43 -11.141 14.280 5.201 1.00 0.00 C ATOM 0 H ALA A 43 -9.493 15.665 6.485 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.454 13.179 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.794 13.486 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.716 14.969 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.720 14.819 4.352 1.00 0.00 H new ATOM 651 N VAL A 44 -8.522 13.050 4.212 1.00 0.00 N ATOM 652 CA VAL A 44 -7.740 12.135 3.355 1.00 0.00 C ATOM 653 C VAL A 44 -6.650 11.406 4.158 1.00 0.00 C ATOM 654 O VAL A 44 -6.580 10.170 4.114 1.00 0.00 O ATOM 655 CB VAL A 44 -7.125 12.876 2.130 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.229 14.012 2.563 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.394 11.926 1.194 1.00 0.00 C ATOM 0 H VAL A 44 -8.441 14.034 3.955 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.433 11.386 2.973 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.957 13.302 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.817 14.506 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.807 14.730 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.415 13.621 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.982 12.487 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.585 11.434 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.090 11.175 0.821 1.00 0.00 H new ATOM 667 N ASN A 45 -5.837 12.158 4.938 1.00 0.00 N ATOM 668 CA ASN A 45 -4.804 11.526 5.788 1.00 0.00 C ATOM 669 C ASN A 45 -5.440 10.457 6.650 1.00 0.00 C ATOM 670 O ASN A 45 -4.885 9.371 6.815 1.00 0.00 O ATOM 671 CB ASN A 45 -4.087 12.541 6.698 1.00 0.00 C ATOM 672 CG ASN A 45 -2.743 12.996 6.151 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.706 12.765 6.768 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.745 13.656 5.004 1.00 0.00 N ATOM 0 H ASN A 45 -5.874 13.176 4.996 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.059 11.093 5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.729 13.411 6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.939 12.095 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.867 13.990 4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.624 13.831 4.518 1.00 0.00 H new ATOM 681 N LEU A 46 -6.651 10.744 7.148 1.00 0.00 N ATOM 682 CA LEU A 46 -7.398 9.793 7.944 1.00 0.00 C ATOM 683 C LEU A 46 -7.761 8.595 7.104 1.00 0.00 C ATOM 684 O LEU A 46 -7.533 7.461 7.524 1.00 0.00 O ATOM 685 CB LEU A 46 -8.652 10.438 8.533 1.00 0.00 C ATOM 686 CG LEU A 46 -8.400 11.589 9.507 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.700 12.255 9.888 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.660 11.095 10.748 1.00 0.00 C ATOM 0 H LEU A 46 -7.126 11.635 7.006 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.771 9.466 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.270 10.806 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.229 9.669 9.047 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.771 12.327 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.501 13.072 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.183 12.648 8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.356 11.526 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.491 11.930 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.258 10.334 11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.702 10.667 10.454 1.00 0.00 H new ATOM 700 N GLN A 47 -8.278 8.842 5.887 1.00 0.00 N ATOM 701 CA GLN A 47 -8.606 7.759 4.973 1.00 0.00 C ATOM 702 C GLN A 47 -7.421 6.843 4.776 1.00 0.00 C ATOM 703 O GLN A 47 -7.532 5.620 4.927 1.00 0.00 O ATOM 704 CB GLN A 47 -9.055 8.282 3.639 1.00 0.00 C ATOM 705 CG GLN A 47 -10.527 8.506 3.619 1.00 0.00 C ATOM 706 CD GLN A 47 -10.851 9.604 2.742 1.00 0.00 C ATOM 707 OE1 GLN A 47 -10.422 10.721 3.159 1.00 0.00 O flip ATOM 708 NE2 GLN A 47 -11.490 9.454 1.701 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.472 9.776 5.526 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.425 7.198 5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.539 9.216 3.419 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.781 7.574 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.035 7.602 3.285 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.884 8.718 4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.805 8.524 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.705 10.260 1.114 1.00 0.00 H new ATOM 717 N LEU A 48 -6.276 7.453 4.457 1.00 0.00 N ATOM 718 CA LEU A 48 -5.023 6.734 4.253 1.00 0.00 C ATOM 719 C LEU A 48 -4.603 6.017 5.519 1.00 0.00 C ATOM 720 O LEU A 48 -4.467 4.802 5.524 1.00 0.00 O ATOM 721 CB LEU A 48 -3.921 7.693 3.810 1.00 0.00 C ATOM 722 CG LEU A 48 -4.177 8.380 2.475 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.913 9.871 2.557 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.354 7.744 1.376 1.00 0.00 C ATOM 0 H LEU A 48 -6.196 8.462 4.333 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.184 5.994 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.791 8.456 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.982 7.142 3.746 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.231 8.247 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.106 10.329 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.569 10.316 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.874 10.042 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.554 8.251 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.295 7.831 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.620 6.691 1.285 1.00 0.00 H new ATOM 736 N ASN A 49 -4.432 6.774 6.601 1.00 0.00 N ATOM 737 CA ASN A 49 -4.049 6.193 7.905 1.00 0.00 C ATOM 738 C ASN A 49 -4.960 5.021 8.255 1.00 0.00 C ATOM 739 O ASN A 49 -4.490 3.952 8.678 1.00 0.00 O ATOM 740 CB ASN A 49 -4.106 7.241 9.022 1.00 0.00 C ATOM 741 CG ASN A 49 -2.863 8.112 9.073 1.00 0.00 C ATOM 742 OD1 ASN A 49 -1.755 7.614 9.292 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.030 9.405 8.868 1.00 0.00 N ATOM 0 H ASN A 49 -4.550 7.787 6.610 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.022 5.839 7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.982 7.873 8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.231 6.738 9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.226 10.032 8.887 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.963 9.777 8.690 1.00 0.00 H new ATOM 750 N ASP A 50 -6.266 5.212 8.045 1.00 0.00 N ATOM 751 CA ASP A 50 -7.263 4.170 8.300 1.00 0.00 C ATOM 752 C ASP A 50 -7.009 2.967 7.421 1.00 0.00 C ATOM 753 O ASP A 50 -6.833 1.840 7.918 1.00 0.00 O ATOM 754 CB ASP A 50 -8.669 4.705 8.000 1.00 0.00 C ATOM 755 CG ASP A 50 -9.709 3.640 7.938 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.998 3.039 8.971 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.239 3.405 6.855 1.00 0.00 O ATOM 0 H ASP A 50 -6.659 6.086 7.696 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.188 3.879 9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.946 5.428 8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.651 5.240 7.050 1.00 0.00 H new ATOM 762 N LEU A 51 -7.005 3.200 6.113 1.00 0.00 N ATOM 763 CA LEU A 51 -6.796 2.118 5.171 1.00 0.00 C ATOM 764 C LEU A 51 -5.446 1.433 5.392 1.00 0.00 C ATOM 765 O LEU A 51 -5.368 0.240 5.266 1.00 0.00 O ATOM 766 CB LEU A 51 -7.019 2.538 3.701 1.00 0.00 C ATOM 767 CG LEU A 51 -6.064 3.583 3.128 1.00 0.00 C ATOM 768 CD1 LEU A 51 -4.735 2.951 2.796 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.662 4.257 1.899 1.00 0.00 C ATOM 0 H LEU A 51 -7.143 4.118 5.689 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.568 1.376 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.956 1.645 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.036 2.920 3.608 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.905 4.351 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.064 3.707 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.298 2.527 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.882 2.161 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.961 4.996 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.859 3.507 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.595 4.750 2.172 1.00 0.00 H new ATOM 781 N ILE A 52 -4.406 2.189 5.803 1.00 0.00 N ATOM 782 CA ILE A 52 -3.089 1.589 6.128 1.00 0.00 C ATOM 783 C ILE A 52 -3.272 0.401 7.098 1.00 0.00 C ATOM 784 O ILE A 52 -2.776 -0.700 6.843 1.00 0.00 O ATOM 785 CB ILE A 52 -2.105 2.636 6.771 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.652 3.675 5.748 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.875 1.960 7.386 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.911 4.832 6.374 1.00 0.00 C ATOM 0 H ILE A 52 -4.448 3.202 5.917 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.652 1.244 5.191 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.661 3.135 7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.009 3.195 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.523 4.054 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.222 2.718 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.192 1.267 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.335 1.414 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.615 5.537 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.560 5.334 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.023 4.461 6.886 1.00 0.00 H new ATOM 800 N GLU A 53 -4.058 0.609 8.163 1.00 0.00 N ATOM 801 CA GLU A 53 -4.342 -0.467 9.114 1.00 0.00 C ATOM 802 C GLU A 53 -5.173 -1.535 8.446 1.00 0.00 C ATOM 803 O GLU A 53 -4.877 -2.727 8.548 1.00 0.00 O ATOM 804 CB GLU A 53 -5.043 0.058 10.366 1.00 0.00 C ATOM 805 CG GLU A 53 -4.153 0.020 11.587 1.00 0.00 C ATOM 806 CD GLU A 53 -4.697 -0.858 12.668 1.00 0.00 C ATOM 807 OE1 GLU A 53 -5.747 -0.530 13.219 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.099 -1.893 12.953 1.00 0.00 O ATOM 0 H GLU A 53 -4.502 1.501 8.384 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.393 -0.899 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.372 1.083 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.937 -0.536 10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.163 -0.335 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.029 1.032 11.973 1.00 0.00 H new ATOM 815 N HIS A 54 -6.168 -1.092 7.706 1.00 0.00 N ATOM 816 CA HIS A 54 -7.013 -1.980 6.917 1.00 0.00 C ATOM 817 C HIS A 54 -6.137 -2.891 6.030 1.00 0.00 C ATOM 818 O HIS A 54 -6.308 -4.109 6.011 1.00 0.00 O ATOM 819 CB HIS A 54 -7.957 -1.148 6.060 1.00 0.00 C ATOM 820 CG HIS A 54 -9.286 -1.781 5.857 1.00 0.00 C ATOM 821 ND1 HIS A 54 -10.455 -1.234 6.340 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.637 -2.942 5.258 1.00 0.00 C ATOM 823 CE1 HIS A 54 -11.464 -2.031 6.049 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.999 -3.078 5.394 1.00 0.00 N ATOM 0 H HIS A 54 -6.418 -0.106 7.631 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.601 -2.612 7.583 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.095 -0.173 6.527 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.494 -0.973 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.971 -3.634 4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.499 -1.856 6.304 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.557 -3.858 5.046 1.00 0.00 H new ATOM 833 N ILE A 55 -5.146 -2.292 5.367 1.00 0.00 N ATOM 834 CA ILE A 55 -4.183 -3.029 4.568 1.00 0.00 C ATOM 835 C ILE A 55 -3.354 -3.931 5.484 1.00 0.00 C ATOM 836 O ILE A 55 -3.204 -5.108 5.205 1.00 0.00 O ATOM 837 CB ILE A 55 -3.229 -2.081 3.771 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.017 -1.111 2.893 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.264 -2.875 2.903 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.173 -0.005 2.306 1.00 0.00 C ATOM 0 H ILE A 55 -4.994 -1.283 5.373 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.738 -3.624 3.843 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.660 -1.511 4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.487 -1.668 2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.820 -0.670 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.613 -2.189 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.659 -3.527 3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.827 -3.479 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.799 0.645 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.724 0.577 3.111 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.386 -0.437 1.688 1.00 0.00 H new ATOM 852 N ALA A 56 -2.863 -3.372 6.609 1.00 0.00 N ATOM 853 CA ALA A 56 -2.089 -4.144 7.598 1.00 0.00 C ATOM 854 C ALA A 56 -2.852 -5.408 7.999 1.00 0.00 C ATOM 855 O ALA A 56 -2.332 -6.534 7.883 1.00 0.00 O ATOM 856 CB ALA A 56 -1.779 -3.288 8.838 1.00 0.00 C ATOM 0 H ALA A 56 -2.990 -2.390 6.853 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.143 -4.436 7.141 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.207 -3.878 9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.198 -2.415 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.712 -2.963 9.298 1.00 0.00 H new ATOM 862 N SER A 57 -4.101 -5.218 8.425 1.00 0.00 N ATOM 863 CA SER A 57 -4.979 -6.324 8.803 1.00 0.00 C ATOM 864 C SER A 57 -5.174 -7.283 7.630 1.00 0.00 C ATOM 865 O SER A 57 -5.016 -8.504 7.783 1.00 0.00 O ATOM 866 CB SER A 57 -6.345 -5.812 9.318 1.00 0.00 C ATOM 867 OG SER A 57 -6.784 -4.618 8.647 1.00 0.00 O ATOM 0 H SER A 57 -4.530 -4.297 8.517 1.00 0.00 H new ATOM 0 HA SER A 57 -4.497 -6.864 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.094 -6.593 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.274 -5.616 10.388 1.00 0.00 H new ATOM 0 HG SER A 57 -6.631 -4.709 7.683 1.00 0.00 H new ATOM 873 N PHE A 58 -5.489 -6.721 6.454 1.00 0.00 N ATOM 874 CA PHE A 58 -5.679 -7.516 5.244 1.00 0.00 C ATOM 875 C PHE A 58 -4.428 -8.340 4.954 1.00 0.00 C ATOM 876 O PHE A 58 -4.506 -9.574 4.826 1.00 0.00 O ATOM 877 CB PHE A 58 -6.025 -6.618 4.040 1.00 0.00 C ATOM 878 CG PHE A 58 -6.230 -7.373 2.754 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.196 -8.363 2.661 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.448 -7.101 1.643 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.377 -9.062 1.488 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.627 -7.799 0.469 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.592 -8.779 0.392 1.00 0.00 C ATOM 0 H PHE A 58 -5.616 -5.718 6.321 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.517 -8.194 5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.930 -6.055 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.225 -5.891 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.814 -8.589 3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.690 -6.334 1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.133 -9.831 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.011 -7.578 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.733 -9.326 -0.528 1.00 0.00 H new ATOM 893 N VAL A 59 -3.272 -7.663 4.921 1.00 0.00 N ATOM 894 CA VAL A 59 -1.980 -8.309 4.712 1.00 0.00 C ATOM 895 C VAL A 59 -1.813 -9.470 5.664 1.00 0.00 C ATOM 896 O VAL A 59 -1.481 -10.557 5.231 1.00 0.00 O ATOM 897 CB VAL A 59 -0.796 -7.311 4.886 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.562 -8.029 4.859 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.846 -6.248 3.805 1.00 0.00 C ATOM 0 H VAL A 59 -3.212 -6.652 5.039 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.963 -8.674 3.685 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.902 -6.839 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.362 -7.299 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.605 -8.756 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.684 -8.542 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.014 -5.556 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.773 -6.721 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.787 -5.702 3.875 1.00 0.00 H new ATOM 909 N MET A 60 -2.065 -9.238 6.968 1.00 0.00 N ATOM 910 CA MET A 60 -1.946 -10.307 7.968 1.00 0.00 C ATOM 911 C MET A 60 -2.622 -11.583 7.465 1.00 0.00 C ATOM 912 O MET A 60 -1.980 -12.623 7.357 1.00 0.00 O ATOM 913 CB MET A 60 -2.529 -9.891 9.332 1.00 0.00 C ATOM 914 CG MET A 60 -1.522 -9.898 10.446 1.00 0.00 C ATOM 915 SD MET A 60 -1.935 -8.779 11.802 1.00 0.00 S ATOM 916 CE MET A 60 -2.028 -7.200 10.957 1.00 0.00 C ATOM 0 H MET A 60 -2.348 -8.333 7.345 1.00 0.00 H new ATOM 0 HA MET A 60 -0.883 -10.500 8.115 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.955 -8.891 9.246 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.346 -10.565 9.589 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.432 -10.911 10.837 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.546 -9.624 10.044 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.400 -6.474 11.473 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.681 -7.316 9.930 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.060 -6.849 10.954 1.00 0.00 H new ATOM 926 N SER A 61 -3.887 -11.467 7.066 1.00 0.00 N ATOM 927 CA SER A 61 -4.627 -12.587 6.494 1.00 0.00 C ATOM 928 C SER A 61 -3.963 -13.057 5.189 1.00 0.00 C ATOM 929 O SER A 61 -3.793 -14.265 4.971 1.00 0.00 O ATOM 930 CB SER A 61 -6.092 -12.186 6.247 1.00 0.00 C ATOM 931 OG SER A 61 -6.285 -10.765 6.387 1.00 0.00 O ATOM 0 H SER A 61 -4.423 -10.602 7.130 1.00 0.00 H new ATOM 0 HA SER A 61 -4.612 -13.416 7.202 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.391 -12.497 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.737 -12.712 6.950 1.00 0.00 H new ATOM 0 HG SER A 61 -5.833 -10.300 5.653 1.00 0.00 H new ATOM 937 N PHE A 62 -3.548 -12.096 4.353 1.00 0.00 N ATOM 938 CA PHE A 62 -2.848 -12.397 3.103 1.00 0.00 C ATOM 939 C PHE A 62 -1.659 -13.324 3.371 1.00 0.00 C ATOM 940 O PHE A 62 -1.602 -14.434 2.845 1.00 0.00 O ATOM 941 CB PHE A 62 -2.367 -11.106 2.432 1.00 0.00 C ATOM 942 CG PHE A 62 -2.552 -11.106 0.954 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.564 -11.590 0.124 1.00 0.00 C ATOM 944 CD2 PHE A 62 -3.715 -10.626 0.391 1.00 0.00 C ATOM 945 CE1 PHE A 62 -1.732 -11.596 -1.243 1.00 0.00 C ATOM 946 CE2 PHE A 62 -3.890 -10.625 -0.973 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.897 -11.112 -1.795 1.00 0.00 C ATOM 0 H PHE A 62 -3.687 -11.100 4.523 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.544 -12.900 2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.906 -10.260 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.311 -10.958 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.647 -11.969 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.499 -10.246 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.950 -11.980 -1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.805 -10.243 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.032 -11.114 -2.867 1.00 0.00 H new ATOM 957 N LYS A 63 -0.759 -12.893 4.259 1.00 0.00 N ATOM 958 CA LYS A 63 0.410 -13.719 4.665 1.00 0.00 C ATOM 959 C LYS A 63 -0.027 -15.095 5.198 1.00 0.00 C ATOM 960 O LYS A 63 0.656 -16.101 4.978 1.00 0.00 O ATOM 961 CB LYS A 63 1.335 -13.011 5.711 1.00 0.00 C ATOM 962 CG LYS A 63 0.935 -11.584 6.094 1.00 0.00 C ATOM 963 CD LYS A 63 1.803 -11.007 7.202 1.00 0.00 C ATOM 964 CE LYS A 63 2.824 -10.006 6.664 1.00 0.00 C ATOM 965 NZ LYS A 63 4.164 -10.175 7.276 1.00 0.00 N ATOM 0 H LYS A 63 -0.806 -11.982 4.716 1.00 0.00 H new ATOM 0 HA LYS A 63 0.996 -13.858 3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.359 -13.617 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.350 -12.990 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.003 -10.944 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.107 -11.577 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.169 -10.517 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.323 -11.816 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.905 -10.121 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.468 -8.993 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.721 -9.307 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.060 -10.361 8.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.653 -10.975 6.826 1.00 0.00 H new ATOM 979 N ILE A 64 -1.187 -15.144 5.856 1.00 0.00 N ATOM 980 CA ILE A 64 -1.742 -16.394 6.370 1.00 0.00 C ATOM 981 C ILE A 64 -2.078 -17.327 5.201 1.00 0.00 C ATOM 982 O ILE A 64 -1.867 -18.544 5.288 1.00 0.00 O ATOM 983 CB ILE A 64 -3.041 -16.149 7.231 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.745 -15.288 8.456 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.672 -17.455 7.679 1.00 0.00 C ATOM 986 CD1 ILE A 64 -3.980 -14.710 9.108 1.00 0.00 C ATOM 0 H ILE A 64 -1.763 -14.324 6.046 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.991 -16.850 7.015 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.744 -15.622 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.206 -15.888 9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.084 -14.472 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.564 -17.245 8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.946 -18.045 6.805 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.959 -18.014 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.689 -14.111 9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.509 -14.082 8.392 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.633 -15.520 9.432 1.00 0.00 H new ATOM 998 N LYS A 65 -2.637 -16.764 4.129 1.00 0.00 N ATOM 999 CA LYS A 65 -3.047 -17.566 2.976 1.00 0.00 C ATOM 1000 C LYS A 65 -1.955 -17.735 1.915 1.00 0.00 C ATOM 1001 O LYS A 65 -1.889 -18.792 1.260 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.358 -17.067 2.334 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.481 -15.546 2.155 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.243 -15.108 0.700 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.422 -15.445 -0.235 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.756 -15.335 0.427 1.00 0.00 N ATOM 0 H LYS A 65 -2.815 -15.764 4.035 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.233 -18.556 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.464 -17.538 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.193 -17.410 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.473 -15.224 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.762 -15.047 2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.064 -14.033 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.340 -15.590 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.396 -14.776 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.296 -16.459 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.486 -15.152 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.972 -16.224 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.740 -14.553 1.112 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.157 -16.697 1.684 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.125 -16.734 0.648 1.00 0.00 C ATOM 1022 C TYR A 66 1.277 -16.590 1.247 1.00 0.00 C ATOM 1023 O TYR A 66 1.834 -15.501 1.278 1.00 0.00 O ATOM 1024 CB TYR A 66 -0.369 -15.631 -0.397 1.00 0.00 C ATOM 1025 CG TYR A 66 -1.280 -16.031 -1.543 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.168 -17.277 -2.151 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -2.250 -15.161 -2.018 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -1.988 -17.639 -3.190 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -3.078 -15.519 -3.062 1.00 0.00 C ATOM 1030 CZ TYR A 66 -2.939 -16.762 -3.643 1.00 0.00 C ATOM 1031 OH TYR A 66 -3.755 -17.130 -4.673 1.00 0.00 O ATOM 0 H TYR A 66 -1.204 -15.818 2.200 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.185 -17.706 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.798 -14.764 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.592 -15.319 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.421 -17.973 -1.799 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.359 -14.187 -1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.884 -18.611 -3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.829 -14.831 -3.421 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.886 -18.101 -4.656 1.00 0.00 H new ATOM 1041 N PRO A 67 1.893 -17.698 1.712 1.00 0.00 N ATOM 1042 CA PRO A 67 3.255 -17.658 2.286 1.00 0.00 C ATOM 1043 C PRO A 67 4.331 -17.224 1.258 1.00 0.00 C ATOM 1044 O PRO A 67 5.358 -16.629 1.625 1.00 0.00 O ATOM 1045 CB PRO A 67 3.499 -19.107 2.740 1.00 0.00 C ATOM 1046 CG PRO A 67 2.531 -19.939 1.959 1.00 0.00 C ATOM 1047 CD PRO A 67 1.335 -19.071 1.701 1.00 0.00 C ATOM 0 HA PRO A 67 3.328 -16.925 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.527 -19.412 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.334 -19.215 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.976 -20.275 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.249 -20.832 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.867 -19.306 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.572 -19.200 2.469 1.00 0.00 H new ATOM 1055 N ASP A 68 4.109 -17.563 -0.022 1.00 0.00 N ATOM 1056 CA ASP A 68 5.076 -17.252 -1.100 1.00 0.00 C ATOM 1057 C ASP A 68 4.954 -15.825 -1.640 1.00 0.00 C ATOM 1058 O ASP A 68 5.824 -15.367 -2.384 1.00 0.00 O ATOM 1059 CB ASP A 68 4.955 -18.255 -2.250 1.00 0.00 C ATOM 1060 CG ASP A 68 6.267 -18.544 -2.919 1.00 0.00 C ATOM 1061 OD1 ASP A 68 7.186 -19.027 -2.251 1.00 0.00 O ATOM 1062 OD2 ASP A 68 6.373 -18.330 -4.124 1.00 0.00 O ATOM 0 H ASP A 68 3.272 -18.051 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 68 6.062 -17.334 -0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.535 -19.186 -1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.254 -17.868 -2.990 1.00 0.00 H new ATOM 1067 N ASP A 69 3.896 -15.121 -1.258 1.00 0.00 N ATOM 1068 CA ASP A 69 3.682 -13.743 -1.697 1.00 0.00 C ATOM 1069 C ASP A 69 4.390 -12.727 -0.818 1.00 0.00 C ATOM 1070 O ASP A 69 4.330 -11.526 -1.087 1.00 0.00 O ATOM 1071 CB ASP A 69 2.186 -13.432 -1.828 1.00 0.00 C ATOM 1072 CG ASP A 69 1.689 -12.224 -1.049 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.670 -12.272 0.197 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.326 -11.241 -1.684 1.00 0.00 O ATOM 0 H ASP A 69 3.168 -15.482 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 69 4.134 -13.655 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.957 -13.279 -2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.623 -14.307 -1.503 1.00 0.00 H new ATOM 1079 N GLY A 70 5.076 -13.206 0.218 1.00 0.00 N ATOM 1080 CA GLY A 70 5.792 -12.343 1.128 1.00 0.00 C ATOM 1081 C GLY A 70 6.497 -11.168 0.454 1.00 0.00 C ATOM 1082 O GLY A 70 6.544 -10.088 1.016 1.00 0.00 O ATOM 0 H GLY A 70 5.145 -14.199 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.093 -11.956 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.532 -12.935 1.666 1.00 0.00 H new ATOM 1086 N ASP A 71 6.973 -11.357 -0.788 1.00 0.00 N ATOM 1087 CA ASP A 71 7.624 -10.274 -1.550 1.00 0.00 C ATOM 1088 C ASP A 71 6.687 -9.087 -1.700 1.00 0.00 C ATOM 1089 O ASP A 71 7.088 -7.933 -1.501 1.00 0.00 O ATOM 1090 CB ASP A 71 8.043 -10.766 -2.947 1.00 0.00 C ATOM 1091 CG ASP A 71 9.319 -11.557 -2.968 1.00 0.00 C ATOM 1092 OD1 ASP A 71 9.727 -12.098 -1.930 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.912 -11.661 -4.038 1.00 0.00 O ATOM 0 H ASP A 71 6.920 -12.246 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 71 8.511 -9.966 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.242 -11.380 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.153 -9.904 -3.605 1.00 0.00 H new ATOM 1098 N LEU A 72 5.432 -9.381 -2.010 1.00 0.00 N ATOM 1099 CA LEU A 72 4.400 -8.373 -2.140 1.00 0.00 C ATOM 1100 C LEU A 72 3.941 -7.939 -0.769 1.00 0.00 C ATOM 1101 O LEU A 72 3.911 -6.745 -0.479 1.00 0.00 O ATOM 1102 CB LEU A 72 3.208 -8.922 -2.922 1.00 0.00 C ATOM 1103 CG LEU A 72 2.214 -7.880 -3.460 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.815 -7.061 -4.588 1.00 0.00 C ATOM 1105 CD2 LEU A 72 0.935 -8.554 -3.920 1.00 0.00 C ATOM 0 H LEU A 72 5.104 -10.332 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 72 4.813 -7.521 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.587 -9.501 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.665 -9.614 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 72 1.980 -7.197 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.082 -6.336 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.699 -6.536 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.096 -7.722 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.243 -7.802 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.164 -9.267 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.478 -9.079 -3.081 1.00 0.00 H new ATOM 1117 N SER A 73 3.599 -8.913 0.082 1.00 0.00 N ATOM 1118 CA SER A 73 3.138 -8.618 1.438 1.00 0.00 C ATOM 1119 C SER A 73 4.122 -7.690 2.166 1.00 0.00 C ATOM 1120 O SER A 73 3.714 -6.673 2.740 1.00 0.00 O ATOM 1121 CB SER A 73 2.895 -9.909 2.232 1.00 0.00 C ATOM 1122 OG SER A 73 1.558 -10.380 2.042 1.00 0.00 O ATOM 0 H SER A 73 3.633 -9.907 -0.145 1.00 0.00 H new ATOM 0 HA SER A 73 2.185 -8.094 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.603 -10.675 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.074 -9.728 3.292 1.00 0.00 H new ATOM 0 HG SER A 73 1.494 -10.845 1.182 1.00 0.00 H new ATOM 1128 N GLU A 74 5.422 -7.989 2.059 1.00 0.00 N ATOM 1129 CA GLU A 74 6.451 -7.158 2.638 1.00 0.00 C ATOM 1130 C GLU A 74 6.448 -5.778 2.004 1.00 0.00 C ATOM 1131 O GLU A 74 6.455 -4.771 2.696 1.00 0.00 O ATOM 1132 CB GLU A 74 7.800 -7.851 2.533 1.00 0.00 C ATOM 1133 CG GLU A 74 8.649 -7.323 1.456 1.00 0.00 C ATOM 1134 CD GLU A 74 9.969 -7.962 1.385 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.866 -7.569 2.140 1.00 0.00 O ATOM 1136 OE2 GLU A 74 10.118 -8.872 0.587 1.00 0.00 O ATOM 0 H GLU A 74 5.775 -8.811 1.569 1.00 0.00 H new ATOM 0 HA GLU A 74 6.245 -7.011 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.326 -7.750 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.640 -8.917 2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.138 -7.456 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.780 -6.251 1.600 1.00 0.00 H new ATOM 1143 N LEU A 75 6.378 -5.750 0.679 1.00 0.00 N ATOM 1144 CA LEU A 75 6.288 -4.502 -0.076 1.00 0.00 C ATOM 1145 C LEU A 75 5.107 -3.695 0.447 1.00 0.00 C ATOM 1146 O LEU A 75 5.207 -2.477 0.661 1.00 0.00 O ATOM 1147 CB LEU A 75 6.097 -4.789 -1.568 1.00 0.00 C ATOM 1148 CG LEU A 75 6.811 -3.858 -2.564 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.190 -2.533 -1.933 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.030 -4.533 -3.118 1.00 0.00 C ATOM 0 H LEU A 75 6.382 -6.588 0.097 1.00 0.00 H new ATOM 0 HA LEU A 75 7.212 -3.938 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.431 -5.809 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.029 -4.758 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 75 6.112 -3.647 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.691 -1.908 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.291 -2.028 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.861 -2.709 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.527 -3.865 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.713 -4.776 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.737 -5.449 -3.632 1.00 0.00 H new ATOM 1162 N VAL A 76 3.998 -4.400 0.692 1.00 0.00 N ATOM 1163 CA VAL A 76 2.820 -3.796 1.279 1.00 0.00 C ATOM 1164 C VAL A 76 3.184 -3.227 2.653 1.00 0.00 C ATOM 1165 O VAL A 76 2.998 -2.030 2.890 1.00 0.00 O ATOM 1166 CB VAL A 76 1.621 -4.793 1.399 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.369 -4.076 1.872 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.350 -5.497 0.070 1.00 0.00 C ATOM 0 H VAL A 76 3.902 -5.395 0.488 1.00 0.00 H new ATOM 0 HA VAL A 76 2.488 -2.998 0.615 1.00 0.00 H new ATOM 0 HB VAL A 76 1.894 -5.547 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.452 -4.789 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.553 -3.629 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.106 -3.295 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.511 -6.183 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.110 -4.756 -0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.236 -6.055 -0.233 1.00 0.00 H new ATOM 1178 N GLU A 77 3.812 -4.061 3.513 1.00 0.00 N ATOM 1179 CA GLU A 77 4.304 -3.585 4.822 1.00 0.00 C ATOM 1180 C GLU A 77 5.144 -2.323 4.617 1.00 0.00 C ATOM 1181 O GLU A 77 4.905 -1.296 5.271 1.00 0.00 O ATOM 1182 CB GLU A 77 5.155 -4.657 5.544 1.00 0.00 C ATOM 1183 CG GLU A 77 4.458 -5.999 5.786 1.00 0.00 C ATOM 1184 CD GLU A 77 5.378 -7.030 6.381 1.00 0.00 C ATOM 1185 OE1 GLU A 77 6.494 -7.201 5.885 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.986 -7.682 7.351 1.00 0.00 O ATOM 0 H GLU A 77 3.987 -5.049 3.328 1.00 0.00 H new ATOM 0 HA GLU A 77 3.438 -3.370 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.056 -4.836 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.475 -4.255 6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.608 -5.848 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.061 -6.373 4.842 1.00 0.00 H new ATOM 1193 N GLU A 78 6.106 -2.410 3.685 1.00 0.00 N ATOM 1194 CA GLU A 78 6.988 -1.301 3.342 1.00 0.00 C ATOM 1195 C GLU A 78 6.201 -0.048 3.008 1.00 0.00 C ATOM 1196 O GLU A 78 6.345 0.964 3.696 1.00 0.00 O ATOM 1197 CB GLU A 78 7.905 -1.664 2.169 1.00 0.00 C ATOM 1198 CG GLU A 78 8.869 -2.800 2.471 1.00 0.00 C ATOM 1199 CD GLU A 78 10.242 -2.582 1.917 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.676 -1.423 1.785 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.892 -3.563 1.581 1.00 0.00 O ATOM 0 H GLU A 78 6.289 -3.259 3.150 1.00 0.00 H new ATOM 0 HA GLU A 78 7.603 -1.100 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.291 -1.940 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.477 -0.782 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.938 -2.930 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.465 -3.727 2.064 1.00 0.00 H new ATOM 1208 N TYR A 79 5.373 -0.100 1.954 1.00 0.00 N ATOM 1209 CA TYR A 79 4.604 1.079 1.578 1.00 0.00 C ATOM 1210 C TYR A 79 3.679 1.517 2.701 1.00 0.00 C ATOM 1211 O TYR A 79 3.537 2.711 2.945 1.00 0.00 O ATOM 1212 CB TYR A 79 3.894 0.952 0.197 1.00 0.00 C ATOM 1213 CG TYR A 79 2.509 0.315 0.179 1.00 0.00 C ATOM 1214 CD1 TYR A 79 1.399 0.968 0.711 1.00 0.00 C ATOM 1215 CD2 TYR A 79 2.314 -0.927 -0.400 1.00 0.00 C ATOM 1216 CE1 TYR A 79 0.143 0.392 0.671 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.062 -1.506 -0.449 1.00 0.00 C ATOM 1218 CZ TYR A 79 -0.022 -0.843 0.090 1.00 0.00 C ATOM 1219 OH TYR A 79 -1.277 -1.413 0.046 1.00 0.00 O ATOM 0 H TYR A 79 5.226 -0.921 1.368 1.00 0.00 H new ATOM 0 HA TYR A 79 5.322 1.885 1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.812 1.950 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.540 0.373 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.522 1.941 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.158 -1.453 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.705 0.910 1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.931 -2.475 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.225 -2.285 -0.398 1.00 0.00 H new ATOM 1229 N LEU A 80 3.103 0.559 3.437 1.00 0.00 N ATOM 1230 CA LEU A 80 2.272 0.885 4.606 1.00 0.00 C ATOM 1231 C LEU A 80 3.084 1.714 5.590 1.00 0.00 C ATOM 1232 O LEU A 80 2.716 2.852 5.931 1.00 0.00 O ATOM 1233 CB LEU A 80 1.800 -0.396 5.298 1.00 0.00 C ATOM 1234 CG LEU A 80 0.687 -1.140 4.593 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.406 -2.460 5.283 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.541 -0.279 4.548 1.00 0.00 C ATOM 0 H LEU A 80 3.194 -0.439 3.248 1.00 0.00 H new ATOM 0 HA LEU A 80 1.402 1.450 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.652 -1.067 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.465 -0.144 6.304 1.00 0.00 H new ATOM 0 HG LEU A 80 0.994 -1.363 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.397 -2.980 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.305 -3.076 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.108 -2.275 6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.343 -0.815 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.853 -0.037 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.320 0.641 4.007 1.00 0.00 H new ATOM 1248 N ASP A 81 4.227 1.152 5.982 1.00 0.00 N ATOM 1249 CA ASP A 81 5.190 1.806 6.877 1.00 0.00 C ATOM 1250 C ASP A 81 5.569 3.162 6.325 1.00 0.00 C ATOM 1251 O ASP A 81 5.489 4.178 7.031 1.00 0.00 O ATOM 1252 CB ASP A 81 6.451 0.952 7.022 1.00 0.00 C ATOM 1253 CG ASP A 81 7.164 1.168 8.319 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.774 0.563 9.322 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.136 1.924 8.345 1.00 0.00 O ATOM 0 H ASP A 81 4.516 0.220 5.686 1.00 0.00 H new ATOM 0 HA ASP A 81 4.724 1.925 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.181 -0.100 6.934 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.130 1.176 6.200 1.00 0.00 H new ATOM 1260 N ASP A 82 5.970 3.188 5.049 1.00 0.00 N ATOM 1261 CA ASP A 82 6.335 4.443 4.365 1.00 0.00 C ATOM 1262 C ASP A 82 5.201 5.451 4.504 1.00 0.00 C ATOM 1263 O ASP A 82 5.402 6.557 5.015 1.00 0.00 O ATOM 1264 CB ASP A 82 6.622 4.210 2.860 1.00 0.00 C ATOM 1265 CG ASP A 82 7.984 3.626 2.562 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.922 3.815 3.355 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.121 2.962 1.533 1.00 0.00 O ATOM 0 H ASP A 82 6.051 2.356 4.465 1.00 0.00 H new ATOM 0 HA ASP A 82 7.242 4.825 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.859 3.543 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.525 5.160 2.334 1.00 0.00 H new ATOM 1272 N THR A 83 3.990 5.032 4.101 1.00 0.00 N ATOM 1273 CA THR A 83 2.781 5.863 4.210 1.00 0.00 C ATOM 1274 C THR A 83 2.628 6.400 5.643 1.00 0.00 C ATOM 1275 O THR A 83 2.528 7.621 5.855 1.00 0.00 O ATOM 1276 CB THR A 83 1.508 5.062 3.814 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.700 4.286 2.637 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.311 5.934 3.568 1.00 0.00 C ATOM 0 H THR A 83 3.823 4.112 3.693 1.00 0.00 H new ATOM 0 HA THR A 83 2.891 6.699 3.520 1.00 0.00 H new ATOM 0 HB THR A 83 1.326 4.419 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.139 3.441 2.870 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.542 5.313 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.077 6.495 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.527 6.628 2.756 1.00 0.00 H new ATOM 1286 N TYR A 84 2.643 5.480 6.624 1.00 0.00 N ATOM 1287 CA TYR A 84 2.543 5.842 8.034 1.00 0.00 C ATOM 1288 C TYR A 84 3.618 6.876 8.387 1.00 0.00 C ATOM 1289 O TYR A 84 3.325 7.902 9.007 1.00 0.00 O ATOM 1290 CB TYR A 84 2.682 4.581 8.914 1.00 0.00 C ATOM 1291 CG TYR A 84 2.710 4.849 10.395 1.00 0.00 C ATOM 1292 CD1 TYR A 84 3.897 5.149 11.032 1.00 0.00 C ATOM 1293 CD2 TYR A 84 1.555 4.799 11.149 1.00 0.00 C ATOM 1294 CE1 TYR A 84 3.942 5.394 12.384 1.00 0.00 C ATOM 1295 CE2 TYR A 84 1.580 5.040 12.505 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.783 5.338 13.123 1.00 0.00 C ATOM 1297 OH TYR A 84 2.831 5.576 14.487 1.00 0.00 O ATOM 0 H TYR A 84 2.724 4.477 6.456 1.00 0.00 H new ATOM 0 HA TYR A 84 1.565 6.286 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.852 3.909 8.696 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.597 4.059 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.810 5.192 10.456 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.616 4.567 10.668 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.881 5.629 12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.668 4.997 13.082 1.00 0.00 H new ATOM 0 HH TYR A 84 1.930 5.500 14.864 1.00 0.00 H new ATOM 1307 N THR A 85 4.851 6.614 7.956 1.00 0.00 N ATOM 1308 CA THR A 85 5.971 7.530 8.188 1.00 0.00 C ATOM 1309 C THR A 85 5.676 8.909 7.560 1.00 0.00 C ATOM 1310 O THR A 85 5.756 9.936 8.241 1.00 0.00 O ATOM 1311 CB THR A 85 7.293 6.945 7.621 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.432 5.550 7.935 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.533 7.645 8.145 1.00 0.00 C ATOM 0 H THR A 85 5.102 5.770 7.441 1.00 0.00 H new ATOM 0 HA THR A 85 6.091 7.656 9.264 1.00 0.00 H new ATOM 0 HB THR A 85 7.220 7.099 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.884 5.020 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.421 7.187 7.709 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.498 8.700 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.572 7.552 9.230 1.00 0.00 H new ATOM 1321 N LEU A 86 5.311 8.914 6.276 1.00 0.00 N ATOM 1322 CA LEU A 86 4.986 10.145 5.543 1.00 0.00 C ATOM 1323 C LEU A 86 3.950 10.961 6.278 1.00 0.00 C ATOM 1324 O LEU A 86 4.225 12.068 6.724 1.00 0.00 O ATOM 1325 CB LEU A 86 4.433 9.802 4.170 1.00 0.00 C ATOM 1326 CG LEU A 86 5.339 10.044 2.946 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.453 11.040 3.236 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.908 8.746 2.417 1.00 0.00 C ATOM 0 H LEU A 86 5.232 8.067 5.713 1.00 0.00 H new ATOM 0 HA LEU A 86 5.905 10.725 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.153 8.749 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.517 10.374 4.026 1.00 0.00 H new ATOM 0 HG LEU A 86 4.706 10.483 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.062 11.175 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.019 11.997 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.077 10.663 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.542 8.951 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.499 8.264 3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.093 8.086 2.119 1.00 0.00 H new ATOM 1340 N PHE A 87 2.739 10.412 6.383 1.00 0.00 N ATOM 1341 CA PHE A 87 1.630 11.109 7.041 1.00 0.00 C ATOM 1342 C PHE A 87 1.937 11.463 8.487 1.00 0.00 C ATOM 1343 O PHE A 87 1.318 12.376 9.047 1.00 0.00 O ATOM 1344 CB PHE A 87 0.324 10.327 6.915 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.128 10.196 5.483 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.143 11.299 4.643 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.501 8.974 4.971 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.521 11.183 3.328 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.886 8.855 3.651 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.892 9.959 2.829 1.00 0.00 C ATOM 0 H PHE A 87 2.500 9.488 6.022 1.00 0.00 H new ATOM 0 HA PHE A 87 1.500 12.055 6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.455 9.334 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.453 10.825 7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.147 12.265 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.492 8.101 5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.526 12.053 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.184 7.893 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.188 9.863 1.795 1.00 0.00 H new ATOM 1360 N SER A 88 2.920 10.799 9.079 1.00 0.00 N ATOM 1361 CA SER A 88 3.351 11.145 10.413 1.00 0.00 C ATOM 1362 C SER A 88 4.145 12.472 10.391 1.00 0.00 C ATOM 1363 O SER A 88 4.167 13.210 11.383 1.00 0.00 O ATOM 1364 CB SER A 88 4.206 10.046 10.977 1.00 0.00 C ATOM 1365 OG SER A 88 3.436 8.881 11.295 1.00 0.00 O ATOM 0 H SER A 88 3.427 10.023 8.654 1.00 0.00 H new ATOM 0 HA SER A 88 2.471 11.272 11.044 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.981 9.784 10.257 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.712 10.403 11.874 1.00 0.00 H new ATOM 0 HG SER A 88 2.968 8.569 10.492 1.00 0.00 H new ATOM 1371 N SER A 89 4.766 12.777 9.245 1.00 0.00 N ATOM 1372 CA SER A 89 5.518 13.997 9.071 1.00 0.00 C ATOM 1373 C SER A 89 4.585 15.154 8.722 1.00 0.00 C ATOM 1374 O SER A 89 3.882 15.117 7.694 1.00 0.00 O ATOM 1375 CB SER A 89 6.574 13.814 7.963 1.00 0.00 C ATOM 1376 OG SER A 89 7.707 13.075 8.448 1.00 0.00 O ATOM 0 H SER A 89 4.753 12.176 8.421 1.00 0.00 H new ATOM 0 HA SER A 89 6.024 14.230 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.130 13.291 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.899 14.789 7.601 1.00 0.00 H new ATOM 0 HG SER A 89 8.081 12.535 7.721 1.00 0.00 H new ATOM 1382 N TYR A 90 4.626 16.217 9.527 1.00 0.00 N ATOM 1383 CA TYR A 90 3.862 17.396 9.246 1.00 0.00 C ATOM 1384 C TYR A 90 4.568 18.133 8.139 1.00 0.00 C ATOM 1385 O TYR A 90 5.564 18.845 8.360 1.00 0.00 O ATOM 1386 CB TYR A 90 3.732 18.312 10.425 1.00 0.00 C ATOM 1387 CG TYR A 90 3.442 17.667 11.781 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.861 16.400 11.887 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.736 18.342 12.956 1.00 0.00 C ATOM 1390 CE1 TYR A 90 2.594 15.839 13.115 1.00 0.00 C ATOM 1391 CE2 TYR A 90 3.466 17.787 14.186 1.00 0.00 C ATOM 1392 CZ TYR A 90 2.898 16.536 14.260 1.00 0.00 C ATOM 1393 OH TYR A 90 2.619 15.982 15.487 1.00 0.00 O ATOM 0 H TYR A 90 5.187 16.269 10.377 1.00 0.00 H new ATOM 0 HA TYR A 90 2.852 17.090 8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.656 18.883 10.513 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.936 19.025 10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.617 15.852 10.989 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.186 19.323 12.905 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.148 14.857 13.179 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.699 18.331 15.089 1.00 0.00 H new ATOM 0 HH TYR A 90 2.895 16.600 16.195 1.00 0.00 H new ATOM 1403 N GLY A 91 4.191 17.795 6.989 1.00 0.00 N ATOM 1404 CA GLY A 91 4.835 18.254 5.780 1.00 0.00 C ATOM 1405 C GLY A 91 5.655 17.159 5.175 1.00 0.00 C ATOM 1406 O GLY A 91 6.753 16.851 5.658 1.00 0.00 O ATOM 0 H GLY A 91 3.402 17.171 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.083 18.591 5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.470 19.112 6.002 1.00 0.00 H new ATOM 1410 N ILE A 92 5.105 16.548 4.162 1.00 0.00 N ATOM 1411 CA ILE A 92 5.727 15.426 3.462 1.00 0.00 C ATOM 1412 C ILE A 92 7.127 15.792 2.975 1.00 0.00 C ATOM 1413 O ILE A 92 7.312 16.821 2.288 1.00 0.00 O ATOM 1414 CB ILE A 92 4.854 14.952 2.262 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.421 14.684 2.712 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.426 13.693 1.639 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.314 13.799 3.940 1.00 0.00 C ATOM 0 H ILE A 92 4.195 16.811 3.783 1.00 0.00 H new ATOM 0 HA ILE A 92 5.808 14.605 4.174 1.00 0.00 H new ATOM 0 HB ILE A 92 4.856 15.749 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.932 15.636 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.875 14.217 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.798 13.383 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.436 13.891 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.456 12.899 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.264 13.656 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.771 12.832 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.830 14.272 4.776 1.00 0.00 H new ATOM 1429 N ASN A 93 8.100 14.959 3.318 1.00 0.00 N ATOM 1430 CA ASN A 93 9.492 15.187 2.927 1.00 0.00 C ATOM 1431 C ASN A 93 9.854 14.320 1.735 1.00 0.00 C ATOM 1432 O ASN A 93 9.410 13.169 1.633 1.00 0.00 O ATOM 1433 CB ASN A 93 10.463 14.931 4.097 1.00 0.00 C ATOM 1434 CG ASN A 93 10.105 15.723 5.342 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.710 16.765 5.637 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.127 15.258 6.085 1.00 0.00 N ATOM 0 H ASN A 93 7.954 14.113 3.869 1.00 0.00 H new ATOM 0 HA ASN A 93 9.589 16.235 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.464 13.868 4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.475 15.189 3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.847 15.756 6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.648 14.398 5.817 1.00 0.00 H new ATOM 1443 N ASP A 94 10.614 14.893 0.803 1.00 0.00 N ATOM 1444 CA ASP A 94 10.993 14.203 -0.442 1.00 0.00 C ATOM 1445 C ASP A 94 11.630 12.824 -0.214 1.00 0.00 C ATOM 1446 O ASP A 94 11.172 11.844 -0.793 1.00 0.00 O ATOM 1447 CB ASP A 94 11.903 15.076 -1.318 1.00 0.00 C ATOM 1448 CG ASP A 94 12.037 14.539 -2.699 1.00 0.00 C ATOM 1449 OD1 ASP A 94 11.140 14.777 -3.506 1.00 0.00 O ATOM 1450 OD2 ASP A 94 13.043 13.887 -2.990 1.00 0.00 O ATOM 0 H ASP A 94 10.985 15.840 0.882 1.00 0.00 H new ATOM 0 HA ASP A 94 10.056 14.029 -0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.501 16.088 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.889 15.144 -0.859 1.00 0.00 H new ATOM 1455 N PRO A 95 12.716 12.718 0.611 1.00 0.00 N ATOM 1456 CA PRO A 95 13.407 11.431 0.847 1.00 0.00 C ATOM 1457 C PRO A 95 12.452 10.303 1.245 1.00 0.00 C ATOM 1458 O PRO A 95 12.499 9.197 0.654 1.00 0.00 O ATOM 1459 CB PRO A 95 14.368 11.754 1.988 1.00 0.00 C ATOM 1460 CG PRO A 95 14.652 13.203 1.826 1.00 0.00 C ATOM 1461 CD PRO A 95 13.367 13.823 1.355 1.00 0.00 C ATOM 0 HA PRO A 95 13.898 11.065 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.919 11.542 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.279 11.160 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.977 13.645 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.452 13.366 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.754 14.164 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.547 14.688 0.717 1.00 0.00 H new ATOM 1469 N GLU A 96 11.582 10.582 2.229 1.00 0.00 N ATOM 1470 CA GLU A 96 10.586 9.603 2.696 1.00 0.00 C ATOM 1471 C GLU A 96 9.533 9.371 1.613 1.00 0.00 C ATOM 1472 O GLU A 96 9.297 8.232 1.192 1.00 0.00 O ATOM 1473 CB GLU A 96 9.896 10.034 4.043 1.00 0.00 C ATOM 1474 CG GLU A 96 9.948 11.537 4.375 1.00 0.00 C ATOM 1475 CD GLU A 96 8.968 11.959 5.444 1.00 0.00 C ATOM 1476 OE1 GLU A 96 9.050 11.448 6.574 1.00 0.00 O ATOM 1477 OE2 GLU A 96 8.141 12.841 5.177 1.00 0.00 O ATOM 0 H GLU A 96 11.548 11.477 2.717 1.00 0.00 H new ATOM 0 HA GLU A 96 11.119 8.674 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.851 9.725 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.364 9.485 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.957 11.794 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.749 12.107 3.468 1.00 0.00 H new ATOM 1484 N LEU A 97 8.922 10.464 1.146 1.00 0.00 N ATOM 1485 CA LEU A 97 7.892 10.390 0.112 1.00 0.00 C ATOM 1486 C LEU A 97 8.370 9.651 -1.122 1.00 0.00 C ATOM 1487 O LEU A 97 7.689 8.745 -1.606 1.00 0.00 O ATOM 1488 CB LEU A 97 7.392 11.775 -0.283 1.00 0.00 C ATOM 1489 CG LEU A 97 6.290 11.789 -1.344 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.991 11.229 -0.793 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.084 13.180 -1.883 1.00 0.00 C ATOM 0 H LEU A 97 9.125 11.410 1.469 1.00 0.00 H new ATOM 0 HA LEU A 97 7.066 9.828 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.022 12.279 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.236 12.358 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 97 6.610 11.148 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.227 11.252 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.147 10.201 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.665 11.832 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.296 13.165 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.797 13.846 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.010 13.536 -2.334 1.00 0.00 H new ATOM 1503 N GLN A 98 9.512 10.054 -1.668 1.00 0.00 N ATOM 1504 CA GLN A 98 10.021 9.420 -2.874 1.00 0.00 C ATOM 1505 C GLN A 98 10.269 7.934 -2.671 1.00 0.00 C ATOM 1506 O GLN A 98 9.978 7.144 -3.564 1.00 0.00 O ATOM 1507 CB GLN A 98 11.243 10.154 -3.435 1.00 0.00 C ATOM 1508 CG GLN A 98 10.918 11.570 -3.893 1.00 0.00 C ATOM 1509 CD GLN A 98 9.719 11.630 -4.795 1.00 0.00 C ATOM 1510 OE1 GLN A 98 9.580 10.818 -5.721 1.00 0.00 O ATOM 1511 NE2 GLN A 98 8.861 12.570 -4.561 1.00 0.00 N ATOM 0 H GLN A 98 10.094 10.806 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 98 9.243 9.500 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.021 10.193 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.648 9.589 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.741 12.198 -3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 98 11.780 11.985 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.013 13.218 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.033 12.663 -5.149 1.00 0.00 H new ATOM 1520 N ARG A 99 10.676 7.538 -1.456 1.00 0.00 N ATOM 1521 CA ARG A 99 10.812 6.115 -1.135 1.00 0.00 C ATOM 1522 C ARG A 99 9.458 5.443 -1.257 1.00 0.00 C ATOM 1523 O ARG A 99 9.303 4.487 -2.003 1.00 0.00 O ATOM 1524 CB ARG A 99 11.369 5.906 0.271 1.00 0.00 C ATOM 1525 CG ARG A 99 12.535 4.943 0.316 1.00 0.00 C ATOM 1526 CD ARG A 99 13.865 5.675 0.180 1.00 0.00 C ATOM 1527 NE ARG A 99 13.992 6.766 1.159 1.00 0.00 N ATOM 1528 CZ ARG A 99 14.364 6.605 2.447 1.00 0.00 C ATOM 1529 NH1 ARG A 99 14.618 5.379 2.922 1.00 0.00 N ATOM 1530 NH2 ARG A 99 14.465 7.669 3.248 1.00 0.00 N ATOM 0 H ARG A 99 10.912 8.173 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 99 11.516 5.671 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.685 6.867 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.574 5.534 0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.516 4.390 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.436 4.212 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.684 4.969 0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.956 6.079 -0.828 1.00 0.00 H new ATOM 0 HE ARG A 99 13.784 7.713 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.530 4.567 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.899 5.257 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.261 8.601 2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.746 7.550 4.221 1.00 0.00 H new ATOM 1544 N TRP A 100 8.459 6.047 -0.610 1.00 0.00 N ATOM 1545 CA TRP A 100 7.056 5.603 -0.702 1.00 0.00 C ATOM 1546 C TRP A 100 6.669 5.450 -2.180 1.00 0.00 C ATOM 1547 O TRP A 100 6.166 4.389 -2.613 1.00 0.00 O ATOM 1548 CB TRP A 100 6.166 6.655 -0.020 1.00 0.00 C ATOM 1549 CG TRP A 100 4.716 6.333 0.067 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.125 5.482 0.935 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.663 6.890 -0.730 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.776 5.478 0.741 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.462 6.325 -0.278 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.623 7.810 -1.780 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.229 6.649 -0.834 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.398 8.130 -2.333 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.216 7.548 -1.857 1.00 0.00 C ATOM 0 H TRP A 100 8.594 6.858 -0.006 1.00 0.00 H new ATOM 0 HA TRP A 100 6.925 4.641 -0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.542 6.818 0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.276 7.597 -0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.646 4.891 1.674 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.106 4.926 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.531 8.262 -2.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.315 6.204 -0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.351 8.840 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.274 7.818 -2.311 1.00 0.00 H new ATOM 1568 N GLN A 101 6.978 6.494 -2.963 1.00 0.00 N ATOM 1569 CA GLN A 101 6.739 6.496 -4.403 1.00 0.00 C ATOM 1570 C GLN A 101 7.421 5.292 -5.078 1.00 0.00 C ATOM 1571 O GLN A 101 6.804 4.627 -5.914 1.00 0.00 O ATOM 1572 CB GLN A 101 7.214 7.805 -5.028 1.00 0.00 C ATOM 1573 CG GLN A 101 6.698 9.041 -4.305 1.00 0.00 C ATOM 1574 CD GLN A 101 5.568 9.727 -5.025 1.00 0.00 C ATOM 1575 OE1 GLN A 101 4.922 9.152 -5.904 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.298 10.924 -4.645 1.00 0.00 N ATOM 0 H GLN A 101 7.399 7.354 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 101 5.665 6.409 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.304 7.823 -5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.892 7.840 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.364 8.756 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.519 9.747 -4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.856 11.365 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.525 11.433 -5.074 1.00 0.00 H new ATOM 1585 N LYS A 102 8.678 5.011 -4.704 1.00 0.00 N ATOM 1586 CA LYS A 102 9.427 3.855 -5.240 1.00 0.00 C ATOM 1587 C LYS A 102 8.845 2.529 -4.736 1.00 0.00 C ATOM 1588 O LYS A 102 8.697 1.571 -5.503 1.00 0.00 O ATOM 1589 CB LYS A 102 10.899 3.921 -4.819 1.00 0.00 C ATOM 1590 CG LYS A 102 11.600 5.225 -5.144 1.00 0.00 C ATOM 1591 CD LYS A 102 12.598 5.582 -4.077 1.00 0.00 C ATOM 1592 CE LYS A 102 13.905 5.973 -4.692 1.00 0.00 C ATOM 1593 NZ LYS A 102 13.906 7.373 -5.171 1.00 0.00 N ATOM 0 H LYS A 102 9.203 5.569 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 102 9.344 3.900 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.962 3.750 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.437 3.106 -5.304 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.106 5.140 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.864 6.023 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.214 6.403 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.743 4.734 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.702 5.842 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.125 5.306 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.832 7.596 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.164 7.495 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.723 8.013 -4.372 1.00 0.00 H new ATOM 1607 N THR A 103 8.556 2.466 -3.443 1.00 0.00 N ATOM 1608 CA THR A 103 8.032 1.260 -2.815 1.00 0.00 C ATOM 1609 C THR A 103 6.755 0.791 -3.516 1.00 0.00 C ATOM 1610 O THR A 103 6.649 -0.383 -3.902 1.00 0.00 O ATOM 1611 CB THR A 103 7.838 1.484 -1.300 1.00 0.00 C ATOM 1612 OG1 THR A 103 9.042 1.954 -0.726 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.439 0.246 -0.523 1.00 0.00 C ATOM 0 H THR A 103 8.678 3.249 -2.800 1.00 0.00 H new ATOM 0 HA THR A 103 8.758 0.455 -2.927 1.00 0.00 H new ATOM 0 HB THR A 103 7.023 2.204 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.836 2.593 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.326 0.499 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.494 -0.136 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.210 -0.516 -0.632 1.00 0.00 H new ATOM 1621 N LYS A 104 5.827 1.716 -3.778 1.00 0.00 N ATOM 1622 CA LYS A 104 4.630 1.350 -4.529 1.00 0.00 C ATOM 1623 C LYS A 104 5.017 0.807 -5.923 1.00 0.00 C ATOM 1624 O LYS A 104 4.435 -0.174 -6.386 1.00 0.00 O ATOM 1625 CB LYS A 104 3.647 2.526 -4.644 1.00 0.00 C ATOM 1626 CG LYS A 104 4.099 3.612 -5.594 1.00 0.00 C ATOM 1627 CD LYS A 104 3.316 3.561 -6.917 1.00 0.00 C ATOM 1628 CE LYS A 104 4.131 4.063 -8.124 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.116 5.130 -7.783 1.00 0.00 N ATOM 0 H LYS A 104 5.879 2.693 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 104 4.118 0.560 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.680 2.147 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.498 2.960 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.963 4.587 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.164 3.501 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.997 2.536 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.413 4.164 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.661 3.221 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.445 4.443 -8.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.730 5.311 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.609 6.002 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.697 4.822 -6.977 1.00 0.00 H new ATOM 1643 N GLU A 105 6.064 1.407 -6.557 1.00 0.00 N ATOM 1644 CA GLU A 105 6.557 0.918 -7.853 1.00 0.00 C ATOM 1645 C GLU A 105 6.922 -0.544 -7.729 1.00 0.00 C ATOM 1646 O GLU A 105 6.310 -1.375 -8.371 1.00 0.00 O ATOM 1647 CB GLU A 105 7.784 1.709 -8.358 1.00 0.00 C ATOM 1648 CG GLU A 105 7.627 3.227 -8.339 1.00 0.00 C ATOM 1649 CD GLU A 105 7.455 3.850 -9.691 1.00 0.00 C ATOM 1650 OE1 GLU A 105 7.984 3.328 -10.673 1.00 0.00 O ATOM 1651 OE2 GLU A 105 6.796 4.879 -9.770 1.00 0.00 O ATOM 0 H GLU A 105 6.567 2.215 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 105 5.757 1.058 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.646 1.441 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.005 1.395 -9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.765 3.483 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.503 3.664 -7.860 1.00 0.00 H new ATOM 1658 N ARG A 106 7.872 -0.848 -6.825 1.00 0.00 N ATOM 1659 CA ARG A 106 8.297 -2.245 -6.540 1.00 0.00 C ATOM 1660 C ARG A 106 7.078 -3.180 -6.442 1.00 0.00 C ATOM 1661 O ARG A 106 7.080 -4.294 -7.000 1.00 0.00 O ATOM 1662 CB ARG A 106 9.080 -2.293 -5.221 1.00 0.00 C ATOM 1663 CG ARG A 106 10.379 -1.553 -5.236 1.00 0.00 C ATOM 1664 CD ARG A 106 10.818 -1.282 -3.824 1.00 0.00 C ATOM 1665 NE ARG A 106 11.025 -2.499 -3.025 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.044 -2.518 -1.668 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.924 -1.362 -0.973 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.191 -3.674 -1.025 1.00 0.00 N ATOM 0 H ARG A 106 8.366 -0.146 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 106 8.932 -2.581 -7.359 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.454 -1.884 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.275 -3.335 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.137 -2.138 -5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.269 -0.615 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.745 -0.710 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.070 -0.659 -3.334 1.00 0.00 H new ATOM 0 HE ARG A 106 11.162 -3.380 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.819 -0.477 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.938 -1.376 0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.289 -4.542 -1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.206 -3.692 -0.005 1.00 0.00 H new ATOM 1682 N LEU A 107 6.031 -2.700 -5.765 1.00 0.00 N ATOM 1683 CA LEU A 107 4.783 -3.442 -5.613 1.00 0.00 C ATOM 1684 C LEU A 107 4.067 -3.595 -6.964 1.00 0.00 C ATOM 1685 O LEU A 107 3.637 -4.700 -7.333 1.00 0.00 O ATOM 1686 CB LEU A 107 3.864 -2.720 -4.608 1.00 0.00 C ATOM 1687 CG LEU A 107 2.647 -3.505 -4.115 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.013 -4.395 -2.953 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.520 -2.564 -3.728 1.00 0.00 C ATOM 0 H LEU A 107 6.028 -1.788 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 107 5.018 -4.438 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.461 -2.436 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.512 -1.797 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 107 2.303 -4.137 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.130 -4.942 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.782 -5.102 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.391 -3.785 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.665 -3.144 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.857 -1.901 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.228 -1.971 -4.594 1.00 0.00 H new ATOM 1701 N PHE A 108 3.982 -2.497 -7.723 1.00 0.00 N ATOM 1702 CA PHE A 108 3.338 -2.509 -9.038 1.00 0.00 C ATOM 1703 C PHE A 108 4.135 -3.357 -10.004 1.00 0.00 C ATOM 1704 O PHE A 108 3.559 -4.126 -10.777 1.00 0.00 O ATOM 1705 CB PHE A 108 3.157 -1.081 -9.587 1.00 0.00 C ATOM 1706 CG PHE A 108 1.947 -0.357 -9.038 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.657 -0.372 -7.679 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.100 0.342 -9.881 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.558 0.290 -7.183 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.001 1.006 -9.384 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.271 0.980 -8.036 1.00 0.00 C ATOM 0 H PHE A 108 4.352 -1.588 -7.447 1.00 0.00 H new ATOM 0 HA PHE A 108 2.346 -2.946 -8.925 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.050 -0.499 -9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.077 -1.128 -10.673 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.304 -0.911 -7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.304 0.367 -10.941 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.346 0.268 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.652 1.547 -10.054 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.133 1.501 -7.647 1.00 0.00 H new ATOM 1721 N ARG A 109 5.464 -3.255 -9.928 1.00 0.00 N ATOM 1722 CA ARG A 109 6.363 -4.063 -10.764 1.00 0.00 C ATOM 1723 C ARG A 109 5.988 -5.536 -10.671 1.00 0.00 C ATOM 1724 O ARG A 109 5.992 -6.249 -11.677 1.00 0.00 O ATOM 1725 CB ARG A 109 7.827 -3.895 -10.326 1.00 0.00 C ATOM 1726 CG ARG A 109 8.319 -2.458 -10.267 1.00 0.00 C ATOM 1727 CD ARG A 109 8.767 -1.971 -11.640 1.00 0.00 C ATOM 1728 NE ARG A 109 7.701 -1.238 -12.328 1.00 0.00 N ATOM 1729 CZ ARG A 109 7.482 0.092 -12.221 1.00 0.00 C ATOM 1730 NH1 ARG A 109 8.308 0.851 -11.492 1.00 0.00 N ATOM 1731 NH2 ARG A 109 6.454 0.650 -12.853 1.00 0.00 N ATOM 0 H ARG A 109 5.946 -2.618 -9.293 1.00 0.00 H new ATOM 0 HA ARG A 109 6.257 -3.717 -11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.950 -4.346 -9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.463 -4.453 -11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.524 -1.814 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.148 -2.384 -9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.640 -1.327 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.073 -2.823 -12.247 1.00 0.00 H new ATOM 0 HE ARG A 109 7.077 -1.771 -12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.104 0.427 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.142 1.854 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.830 0.075 -13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.289 1.653 -12.772 1.00 0.00 H new ATOM 1745 N LEU A 110 5.656 -5.984 -9.455 1.00 0.00 N ATOM 1746 CA LEU A 110 5.295 -7.353 -9.234 1.00 0.00 C ATOM 1747 C LEU A 110 3.821 -7.630 -9.563 1.00 0.00 C ATOM 1748 O LEU A 110 3.504 -8.601 -10.286 1.00 0.00 O ATOM 1749 CB LEU A 110 5.758 -7.802 -7.852 1.00 0.00 C ATOM 1750 CG LEU A 110 4.773 -7.883 -6.764 1.00 0.00 C ATOM 1751 CD1 LEU A 110 3.909 -9.107 -6.969 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.507 -7.929 -5.426 1.00 0.00 C ATOM 0 H LEU A 110 5.636 -5.401 -8.618 1.00 0.00 H new ATOM 0 HA LEU A 110 5.828 -7.987 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.211 -8.787 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.547 -7.122 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 110 4.125 -7.006 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.176 -9.174 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.393 -9.032 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.535 -9.999 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.781 -7.989 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.157 -8.804 -5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.108 -7.027 -5.309 1.00 0.00 H new ATOM 1764 N PHE A 111 2.926 -6.753 -9.099 1.00 0.00 N ATOM 1765 CA PHE A 111 1.481 -6.854 -9.436 1.00 0.00 C ATOM 1766 C PHE A 111 1.256 -6.938 -10.952 1.00 0.00 C ATOM 1767 O PHE A 111 0.299 -7.578 -11.404 1.00 0.00 O ATOM 1768 CB PHE A 111 0.706 -5.639 -8.928 1.00 0.00 C ATOM 1769 CG PHE A 111 0.118 -5.821 -7.576 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.938 -6.693 -7.369 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.620 -5.125 -6.515 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.471 -6.853 -6.111 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.095 -5.279 -5.265 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.950 -6.142 -5.054 1.00 0.00 C ATOM 0 H PHE A 111 3.162 -5.967 -8.493 1.00 0.00 H new ATOM 0 HA PHE A 111 1.123 -7.764 -8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.373 -4.777 -8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.093 -5.410 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.345 -7.250 -8.200 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.444 -4.443 -6.667 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.295 -7.534 -5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.504 -4.719 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.362 -6.263 -4.063 1.00 0.00 H new ATOM 1784 N SER A 112 2.086 -6.221 -11.724 1.00 0.00 N ATOM 1785 CA SER A 112 1.921 -6.131 -13.185 1.00 0.00 C ATOM 1786 C SER A 112 2.339 -7.399 -13.961 1.00 0.00 C ATOM 1787 O SER A 112 2.348 -7.378 -15.199 1.00 0.00 O ATOM 1788 CB SER A 112 2.644 -4.898 -13.747 1.00 0.00 C ATOM 1789 OG SER A 112 2.389 -3.732 -12.951 1.00 0.00 O ATOM 0 H SER A 112 2.880 -5.694 -11.361 1.00 0.00 H new ATOM 0 HA SER A 112 0.847 -6.031 -13.340 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.717 -5.088 -13.782 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.318 -4.719 -14.772 1.00 0.00 H new ATOM 0 HG SER A 112 3.093 -3.637 -12.275 1.00 0.00 H new ATOM 1795 N GLY A 113 2.593 -8.517 -13.273 1.00 0.00 N ATOM 1796 CA GLY A 113 2.893 -9.748 -13.993 1.00 0.00 C ATOM 1797 C GLY A 113 4.163 -10.451 -13.574 1.00 0.00 C ATOM 1798 O GLY A 113 4.879 -10.979 -14.435 1.00 0.00 O ATOM 0 H GLY A 113 2.597 -8.592 -12.256 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.058 -10.436 -13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.958 -9.520 -15.057 1.00 0.00 H new ATOM 1802 N GLU A 114 4.401 -10.560 -12.265 1.00 0.00 N ATOM 1803 CA GLU A 114 5.520 -11.352 -11.759 1.00 0.00 C ATOM 1804 C GLU A 114 4.956 -12.677 -11.221 1.00 0.00 C ATOM 1805 O GLU A 114 4.595 -13.568 -11.994 1.00 0.00 O ATOM 1806 CB GLU A 114 6.291 -10.606 -10.644 1.00 0.00 C ATOM 1807 CG GLU A 114 7.122 -9.429 -11.095 1.00 0.00 C ATOM 1808 CD GLU A 114 8.512 -9.814 -11.469 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.692 -10.497 -12.476 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.433 -9.453 -10.737 1.00 0.00 O ATOM 0 H GLU A 114 3.837 -10.113 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 114 6.228 -11.533 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.572 -10.257 -9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.946 -11.318 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.639 -8.955 -11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.157 -8.688 -10.297 1.00 0.00 H new ATOM 1817 N TYR A 115 4.746 -12.736 -9.903 1.00 0.00 N ATOM 1818 CA TYR A 115 4.126 -13.879 -9.260 1.00 0.00 C ATOM 1819 C TYR A 115 2.611 -13.701 -9.258 1.00 0.00 C ATOM 1820 O TYR A 115 1.868 -14.646 -9.495 1.00 0.00 O ATOM 1821 CB TYR A 115 4.643 -14.089 -7.794 1.00 0.00 C ATOM 1822 CG TYR A 115 5.765 -13.152 -7.361 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.492 -11.860 -6.949 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.088 -13.554 -7.397 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.500 -11.002 -6.585 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.103 -12.700 -7.028 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.803 -11.424 -6.622 1.00 0.00 C ATOM 1828 OH TYR A 115 8.807 -10.565 -6.254 1.00 0.00 O ATOM 0 H TYR A 115 5.004 -11.988 -9.259 1.00 0.00 H new ATOM 0 HA TYR A 115 4.398 -14.768 -9.828 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.804 -13.966 -7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.990 -15.117 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.467 -11.520 -6.913 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.329 -14.556 -7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.266 -9.996 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.130 -13.033 -7.058 1.00 0.00 H new ATOM 0 HH TYR A 115 9.292 -10.938 -5.488 1.00 0.00 H new ATOM 1838 N ILE A 116 2.164 -12.457 -8.961 1.00 0.00 N ATOM 1839 CA ILE A 116 0.744 -12.102 -8.877 1.00 0.00 C ATOM 1840 C ILE A 116 -0.109 -12.725 -9.998 1.00 0.00 C ATOM 1841 O ILE A 116 -1.156 -13.290 -9.711 1.00 0.00 O ATOM 1842 CB ILE A 116 0.542 -10.547 -8.806 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.863 -10.042 -7.394 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.877 -10.138 -9.188 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.175 -10.424 -6.356 1.00 0.00 C ATOM 0 H ILE A 116 2.790 -11.674 -8.773 1.00 0.00 H new ATOM 0 HA ILE A 116 0.383 -12.536 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 116 1.224 -10.094 -9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.832 -10.438 -7.088 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.956 -8.956 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.973 -9.054 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.087 -10.462 -10.207 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.587 -10.605 -8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.122 -10.032 -5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.142 -10.006 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.252 -11.510 -6.301 1.00 0.00 H new ATOM 1857 N SER A 117 0.334 -12.610 -11.250 1.00 0.00 N ATOM 1858 CA SER A 117 -0.404 -13.168 -12.404 1.00 0.00 C ATOM 1859 C SER A 117 -0.831 -14.622 -12.131 1.00 0.00 C ATOM 1860 O SER A 117 -2.027 -14.940 -12.088 1.00 0.00 O ATOM 1861 CB SER A 117 0.476 -13.092 -13.670 1.00 0.00 C ATOM 1862 OG SER A 117 1.787 -12.558 -13.358 1.00 0.00 O ATOM 0 H SER A 117 1.202 -12.136 -11.500 1.00 0.00 H new ATOM 0 HA SER A 117 -1.307 -12.578 -12.561 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.578 -14.085 -14.107 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.009 -12.464 -14.417 1.00 0.00 H new ATOM 0 HG SER A 117 2.378 -12.668 -14.132 1.00 0.00 H new