USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 969 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 71 THR OG1 : rot 37:sc= -8.27! USER MOD Set 1.2: A 144 SER OG : rot 180:sc= -0.785 USER MOD Set 2.1: A 69 SER OG : rot -170:sc= 0.932 USER MOD Set 2.2: A 147 SER OG : rot -88:sc= 1.08 USER MOD Set 3.1: A 56 ASN : amide:sc= -4.88! C(o=-6.8!,f=-8.2!) USER MOD Set 3.2: A 128 GLN :FLIP amide:sc= -1.92! C(o=-10!,f=-6.8!) USER MOD Set 4.1: A 27 THR OG1 : rot 77:sc= -0.483! USER MOD Set 4.2: A 28 SER OG : rot 33:sc= -4.41! USER MOD Single : A 12 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 13 THR OG1 : rot -65:sc= -0.192 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 55:sc= 0.357 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -104:sc= -0.857 (180deg=-3.5) USER MOD Single : A 45 GLN : amide:sc= -7.97! C(o=-8!,f=-13!) USER MOD Single : A 47 ASN :FLIP amide:sc= -13.4! C(o=-18!,f=-13!) USER MOD Single : A 55 TYR OH : rot 0:sc= -1.51 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0.396 USER MOD Single : A 73 SER OG : rot 14:sc= -0.594! USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 78 MET CE :methyl -167:sc= -3.34! (180deg=-4.66!) USER MOD Single : A 93 THR OG1 : rot 121:sc= 0.0343! USER MOD Single : A 97 GLN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.32 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0711 USER MOD Single : A 111 TYR OH : rot -30:sc= -0.449 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.059 USER MOD Single : A 115 SER OG : rot 101:sc= -0.547! USER MOD Single : A 116 ASN :FLIP amide:sc= 0.699 F(o=-6.6!,f=0.7) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0758 USER MOD Single : A 132 HIS :FLIP no HD1:sc= -0.213 F(o=-0.79,f=-0.21) USER MOD Single : A 135 LYS NZ :NH3+ 148:sc= -6.08! (180deg=-6.91!) USER MOD Single : A 139 TYR OH : rot -153:sc= -2.6! USER MOD Single : A 145 GLN :FLIP amide:sc= -3.08! C(o=-4.3!,f=-3.1!) USER MOD Single : A 149 THR OG1 : rot 53:sc= -0.14 USER MOD Single : A 150 THR OG1 : rot -13:sc= 0.521 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.974 -8.749 -10.752 1.00 2.11 N ATOM 82 CA VAL A 7 -13.449 -7.411 -11.203 1.00 2.12 C ATOM 83 C VAL A 7 -12.345 -6.375 -10.979 1.00 2.11 C ATOM 84 O VAL A 7 -12.229 -5.798 -9.917 1.00 2.83 O ATOM 85 CB VAL A 7 -14.689 -7.014 -10.400 1.00 2.16 C ATOM 86 CG1 VAL A 7 -15.693 -6.318 -11.322 1.00 2.17 C ATOM 87 CG2 VAL A 7 -15.332 -8.268 -9.804 1.00 2.42 C ATOM 0 HA VAL A 7 -13.699 -7.453 -12.263 1.00 2.12 H new ATOM 0 HB VAL A 7 -14.400 -6.335 -9.598 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -16.577 -6.035 -10.750 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -15.236 -5.425 -11.750 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.982 -6.997 -12.124 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -16.216 -7.987 -9.231 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.621 -8.946 -10.607 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -14.618 -8.766 -9.148 1.00 2.42 H new ATOM 97 N GLU A 8 -11.533 -6.134 -11.972 1.00 1.96 N ATOM 98 CA GLU A 8 -10.440 -5.134 -11.811 1.00 2.32 C ATOM 99 C GLU A 8 -10.891 -3.789 -12.382 1.00 2.30 C ATOM 100 O GLU A 8 -11.317 -3.694 -13.517 1.00 2.59 O ATOM 101 CB GLU A 8 -9.191 -5.615 -12.555 1.00 3.06 C ATOM 102 CG GLU A 8 -9.316 -5.280 -14.042 1.00 3.55 C ATOM 103 CD GLU A 8 -10.649 -5.810 -14.574 1.00 4.20 C ATOM 104 OE1 GLU A 8 -10.991 -6.934 -14.244 1.00 4.75 O ATOM 105 OE2 GLU A 8 -11.304 -5.084 -15.302 1.00 4.42 O ATOM 0 H GLU A 8 -11.579 -6.585 -12.886 1.00 1.96 H new ATOM 0 HA GLU A 8 -10.207 -5.018 -10.752 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -8.303 -5.140 -12.139 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.069 -6.690 -12.424 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -9.257 -4.202 -14.189 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.489 -5.723 -14.596 1.00 3.55 H new ATOM 112 N LEU A 9 -10.806 -2.745 -11.603 1.00 2.76 N ATOM 113 CA LEU A 9 -11.233 -1.406 -12.097 1.00 3.48 C ATOM 114 C LEU A 9 -10.087 -0.757 -12.876 1.00 3.43 C ATOM 115 O LEU A 9 -10.275 0.214 -13.580 1.00 4.12 O ATOM 116 CB LEU A 9 -11.607 -0.522 -10.906 1.00 3.72 C ATOM 117 CG LEU A 9 -13.095 -0.686 -10.594 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.306 -0.667 -9.079 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.877 0.467 -11.230 1.00 3.49 C ATOM 0 H LEU A 9 -10.459 -2.762 -10.644 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.096 -1.519 -12.753 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.010 -0.795 -10.036 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -11.385 0.521 -11.130 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.448 -1.635 -10.998 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.367 -0.784 -8.858 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -12.748 -1.485 -8.624 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -12.954 0.282 -8.674 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.938 0.352 -11.009 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -13.522 1.415 -10.825 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.728 0.456 -12.310 1.00 3.49 H new ATOM 131 N LEU A 10 -8.901 -1.288 -12.758 1.00 2.81 N ATOM 132 CA LEU A 10 -7.745 -0.704 -13.495 1.00 2.72 C ATOM 133 C LEU A 10 -7.171 -1.770 -14.431 1.00 2.86 C ATOM 134 O LEU A 10 -6.221 -2.452 -14.104 1.00 2.83 O ATOM 135 CB LEU A 10 -6.685 -0.250 -12.478 1.00 2.41 C ATOM 136 CG LEU A 10 -5.501 0.471 -13.148 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.342 -0.504 -13.372 1.00 1.99 C ATOM 138 CD2 LEU A 10 -5.909 1.090 -14.490 1.00 2.07 C ATOM 0 H LEU A 10 -8.682 -2.101 -12.183 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.058 0.157 -14.086 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.147 0.415 -11.749 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.316 -1.117 -11.930 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.184 1.271 -12.479 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -3.512 0.020 -13.846 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.016 -0.908 -12.414 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.672 -1.319 -14.016 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -5.050 1.591 -14.936 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -6.260 0.306 -15.161 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -6.708 1.814 -14.329 1.00 2.07 H new ATOM 150 N PRO A 11 -7.760 -1.911 -15.587 1.00 3.10 N ATOM 151 CA PRO A 11 -7.321 -2.907 -16.607 1.00 3.32 C ATOM 152 C PRO A 11 -5.878 -2.665 -17.056 1.00 2.96 C ATOM 153 O PRO A 11 -5.526 -2.887 -18.197 1.00 3.09 O ATOM 154 CB PRO A 11 -8.282 -2.701 -17.782 1.00 3.83 C ATOM 155 CG PRO A 11 -9.442 -1.936 -17.236 1.00 3.73 C ATOM 156 CD PRO A 11 -8.917 -1.131 -16.048 1.00 3.29 C ATOM 0 HA PRO A 11 -7.343 -3.922 -16.209 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.798 -2.152 -18.590 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.604 -3.657 -18.194 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.862 -1.276 -17.995 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -10.239 -2.611 -16.924 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.629 -0.122 -16.343 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.670 -1.031 -15.267 1.00 3.29 H new ATOM 164 N HIS A 12 -5.044 -2.211 -16.164 1.00 2.52 N ATOM 165 CA HIS A 12 -3.624 -1.952 -16.535 1.00 2.16 C ATOM 166 C HIS A 12 -2.703 -2.516 -15.452 1.00 1.83 C ATOM 167 O HIS A 12 -2.485 -1.903 -14.426 1.00 1.69 O ATOM 168 CB HIS A 12 -3.394 -0.444 -16.668 1.00 2.13 C ATOM 169 CG HIS A 12 -2.140 -0.197 -17.459 1.00 1.93 C ATOM 170 ND1 HIS A 12 -2.027 -0.544 -18.795 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.935 0.366 -17.115 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.794 -0.192 -19.205 1.00 1.94 C ATOM 173 NE2 HIS A 12 -0.087 0.367 -18.219 1.00 1.82 N ATOM 0 H HIS A 12 -5.283 -2.008 -15.194 1.00 2.52 H new ATOM 0 HA HIS A 12 -3.405 -2.436 -17.487 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.246 0.023 -17.162 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.310 0.010 -15.681 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -0.684 0.749 -16.137 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.422 -0.343 -20.208 1.00 1.94 H new ATOM 0 HE2 HIS A 12 0.869 0.719 -18.265 1.00 1.82 H new ATOM 181 N THR A 13 -2.159 -3.680 -15.674 1.00 1.82 N ATOM 182 CA THR A 13 -1.253 -4.284 -14.657 1.00 1.56 C ATOM 183 C THR A 13 -0.043 -4.902 -15.360 1.00 1.39 C ATOM 184 O THR A 13 0.260 -6.067 -15.191 1.00 1.58 O ATOM 185 CB THR A 13 -2.009 -5.367 -13.883 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.099 -6.377 -13.472 1.00 1.59 O ATOM 187 CG2 THR A 13 -3.085 -5.981 -14.779 1.00 1.97 C ATOM 0 H THR A 13 -2.302 -4.239 -16.515 1.00 1.82 H new ATOM 0 HA THR A 13 -0.914 -3.515 -13.963 1.00 1.56 H new ATOM 0 HB THR A 13 -2.480 -4.924 -13.006 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.730 -6.826 -14.261 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.622 -6.752 -14.226 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.784 -5.205 -15.092 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.617 -6.424 -15.658 1.00 1.97 H new ATOM 195 N SER A 14 0.653 -4.130 -16.149 1.00 1.20 N ATOM 196 CA SER A 14 1.842 -4.675 -16.863 1.00 1.07 C ATOM 197 C SER A 14 2.756 -3.526 -17.293 1.00 1.04 C ATOM 198 O SER A 14 2.705 -3.069 -18.418 1.00 1.10 O ATOM 199 CB SER A 14 1.382 -5.450 -18.099 1.00 1.14 C ATOM 200 OG SER A 14 2.502 -6.093 -18.693 1.00 1.96 O ATOM 0 H SER A 14 0.450 -3.147 -16.330 1.00 1.20 H new ATOM 0 HA SER A 14 2.390 -5.342 -16.197 1.00 1.07 H new ATOM 0 HB2 SER A 14 0.630 -6.188 -17.821 1.00 1.14 H new ATOM 0 HB3 SER A 14 0.915 -4.773 -18.814 1.00 1.14 H new ATOM 0 HG SER A 14 2.211 -6.592 -19.485 1.00 1.96 H new ATOM 206 N PHE A 15 3.596 -3.059 -16.410 1.00 1.01 N ATOM 207 CA PHE A 15 4.516 -1.944 -16.775 1.00 1.00 C ATOM 208 C PHE A 15 5.458 -2.422 -17.883 1.00 1.00 C ATOM 209 O PHE A 15 6.662 -2.294 -17.789 1.00 0.98 O ATOM 210 CB PHE A 15 5.337 -1.535 -15.549 1.00 0.98 C ATOM 211 CG PHE A 15 4.523 -0.617 -14.662 1.00 0.88 C ATOM 212 CD1 PHE A 15 3.123 -0.642 -14.712 1.00 1.74 C ATOM 213 CD2 PHE A 15 5.176 0.259 -13.784 1.00 1.11 C ATOM 214 CE1 PHE A 15 2.379 0.208 -13.885 1.00 1.76 C ATOM 215 CE2 PHE A 15 4.429 1.109 -12.958 1.00 1.14 C ATOM 216 CZ PHE A 15 3.031 1.083 -13.009 1.00 0.95 C ATOM 0 H PHE A 15 3.685 -3.401 -15.453 1.00 1.01 H new ATOM 0 HA PHE A 15 3.939 -1.087 -17.123 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.637 -2.421 -14.990 1.00 0.98 H new ATOM 0 HB3 PHE A 15 6.251 -1.032 -15.865 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.618 -1.316 -15.388 1.00 1.74 H new ATOM 0 HD2 PHE A 15 6.255 0.279 -13.744 1.00 1.11 H new ATOM 0 HE1 PHE A 15 1.300 0.188 -13.923 1.00 1.76 H new ATOM 0 HE2 PHE A 15 4.932 1.784 -12.282 1.00 1.14 H new ATOM 0 HZ PHE A 15 2.455 1.738 -12.372 1.00 0.95 H new ATOM 226 N ALA A 16 4.914 -2.984 -18.928 1.00 1.06 N ATOM 227 CA ALA A 16 5.768 -3.485 -20.042 1.00 1.09 C ATOM 228 C ALA A 16 6.662 -2.360 -20.567 1.00 1.10 C ATOM 229 O ALA A 16 7.767 -2.164 -20.102 1.00 1.18 O ATOM 230 CB ALA A 16 4.877 -3.995 -21.176 1.00 1.14 C ATOM 0 H ALA A 16 3.911 -3.118 -19.058 1.00 1.06 H new ATOM 0 HA ALA A 16 6.395 -4.296 -19.672 1.00 1.09 H new ATOM 0 HB1 ALA A 16 5.500 -4.362 -21.992 1.00 1.14 H new ATOM 0 HB2 ALA A 16 4.247 -4.805 -20.808 1.00 1.14 H new ATOM 0 HB3 ALA A 16 4.247 -3.182 -21.538 1.00 1.14 H new ATOM 236 N GLU A 17 6.199 -1.624 -21.540 1.00 1.15 N ATOM 237 CA GLU A 17 7.028 -0.521 -22.101 1.00 1.19 C ATOM 238 C GLU A 17 6.428 0.830 -21.710 1.00 1.29 C ATOM 239 O GLU A 17 6.405 1.758 -22.494 1.00 1.41 O ATOM 240 CB GLU A 17 7.057 -0.643 -23.624 1.00 1.32 C ATOM 241 CG GLU A 17 8.241 -1.514 -24.047 1.00 1.41 C ATOM 242 CD GLU A 17 9.396 -0.621 -24.502 1.00 1.67 C ATOM 243 OE1 GLU A 17 9.373 0.556 -24.178 1.00 1.96 O ATOM 244 OE2 GLU A 17 10.285 -1.128 -25.165 1.00 2.13 O ATOM 0 H GLU A 17 5.282 -1.739 -21.971 1.00 1.15 H new ATOM 0 HA GLU A 17 8.041 -0.590 -21.704 1.00 1.19 H new ATOM 0 HB2 GLU A 17 6.125 -1.080 -23.982 1.00 1.32 H new ATOM 0 HB3 GLU A 17 7.140 0.345 -24.076 1.00 1.32 H new ATOM 0 HG2 GLU A 17 8.559 -2.142 -23.215 1.00 1.41 H new ATOM 0 HG3 GLU A 17 7.944 -2.182 -24.855 1.00 1.41 H new ATOM 251 N SER A 18 5.942 0.952 -20.506 1.00 1.41 N ATOM 252 CA SER A 18 5.347 2.248 -20.077 1.00 1.64 C ATOM 253 C SER A 18 5.020 2.196 -18.584 1.00 1.51 C ATOM 254 O SER A 18 4.781 1.144 -18.026 1.00 1.30 O ATOM 255 CB SER A 18 4.067 2.507 -20.872 1.00 2.02 C ATOM 256 OG SER A 18 4.295 3.558 -21.800 1.00 2.26 O ATOM 0 H SER A 18 5.931 0.213 -19.803 1.00 1.41 H new ATOM 0 HA SER A 18 6.060 3.052 -20.261 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.762 1.602 -21.398 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.253 2.773 -20.197 1.00 2.02 H new ATOM 0 HG SER A 18 5.071 3.340 -22.357 1.00 2.26 H new ATOM 262 N LEU A 19 5.007 3.327 -17.933 1.00 1.67 N ATOM 263 CA LEU A 19 4.692 3.344 -16.477 1.00 1.59 C ATOM 264 C LEU A 19 3.181 3.206 -16.278 1.00 1.72 C ATOM 265 O LEU A 19 2.712 2.942 -15.188 1.00 2.45 O ATOM 266 CB LEU A 19 5.183 4.649 -15.831 1.00 1.61 C ATOM 267 CG LEU A 19 5.212 5.804 -16.842 1.00 1.71 C ATOM 268 CD1 LEU A 19 6.393 5.634 -17.800 1.00 2.60 C ATOM 269 CD2 LEU A 19 3.899 5.856 -17.632 1.00 1.37 C ATOM 0 H LEU A 19 5.201 4.239 -18.346 1.00 1.67 H new ATOM 0 HA LEU A 19 5.203 2.508 -15.999 1.00 1.59 H new ATOM 0 HB2 LEU A 19 4.531 4.911 -14.997 1.00 1.61 H new ATOM 0 HB3 LEU A 19 6.181 4.499 -15.420 1.00 1.61 H new ATOM 0 HG LEU A 19 5.329 6.741 -16.297 1.00 1.71 H new ATOM 0 HD11 LEU A 19 6.405 6.458 -18.513 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.324 5.631 -17.233 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.293 4.691 -18.337 1.00 2.60 H new ATOM 0 HD21 LEU A 19 3.935 6.680 -18.344 1.00 1.37 H new ATOM 0 HD22 LEU A 19 3.760 4.918 -18.169 1.00 1.37 H new ATOM 0 HD23 LEU A 19 3.067 6.007 -16.945 1.00 1.37 H new ATOM 281 N GLY A 20 2.414 3.377 -17.320 1.00 1.44 N ATOM 282 CA GLY A 20 0.934 3.250 -17.189 1.00 1.58 C ATOM 283 C GLY A 20 0.363 4.506 -16.527 1.00 1.59 C ATOM 284 O GLY A 20 1.091 5.378 -16.096 1.00 1.62 O ATOM 0 H GLY A 20 2.748 3.599 -18.258 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.483 3.109 -18.171 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.686 2.370 -16.595 1.00 1.58 H new ATOM 288 N PRO A 21 -0.937 4.594 -16.450 1.00 1.60 N ATOM 289 CA PRO A 21 -1.630 5.760 -15.831 1.00 1.60 C ATOM 290 C PRO A 21 -1.104 6.061 -14.427 1.00 1.43 C ATOM 291 O PRO A 21 -1.325 7.127 -13.885 1.00 1.67 O ATOM 292 CB PRO A 21 -3.097 5.334 -15.762 1.00 1.68 C ATOM 293 CG PRO A 21 -3.258 4.247 -16.773 1.00 1.70 C ATOM 294 CD PRO A 21 -1.888 3.586 -16.944 1.00 1.63 C ATOM 0 HA PRO A 21 -1.471 6.671 -16.409 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.354 4.980 -14.764 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.758 6.173 -15.982 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.998 3.519 -16.441 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -3.612 4.652 -17.721 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.819 2.660 -16.374 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -1.695 3.333 -17.987 1.00 1.63 H new ATOM 302 N TRP A 22 -0.410 5.130 -13.834 1.00 1.30 N ATOM 303 CA TRP A 22 0.128 5.364 -12.465 1.00 1.15 C ATOM 304 C TRP A 22 1.216 6.437 -12.532 1.00 1.24 C ATOM 305 O TRP A 22 1.758 6.719 -13.583 1.00 1.48 O ATOM 306 CB TRP A 22 0.716 4.060 -11.917 1.00 1.19 C ATOM 307 CG TRP A 22 -0.381 3.063 -11.698 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.307 2.707 -12.619 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.682 2.287 -10.499 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.154 1.766 -12.065 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.811 1.473 -10.759 1.00 1.59 C ATOM 312 CE3 TRP A 22 -0.092 2.212 -9.226 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.335 0.615 -9.789 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.615 1.350 -8.248 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.734 0.553 -8.528 1.00 2.39 C ATOM 0 H TRP A 22 -0.192 4.219 -14.237 1.00 1.30 H new ATOM 0 HA TRP A 22 -0.672 5.699 -11.805 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.450 3.659 -12.616 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.239 4.251 -10.980 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.373 3.096 -13.624 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -2.937 1.340 -12.560 1.00 1.52 H new ATOM 0 HE3 TRP A 22 0.770 2.822 -8.998 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.198 0.004 -10.011 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 -0.152 1.301 -7.274 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -2.131 -0.107 -7.771 1.00 2.39 H new ATOM 326 N SER A 23 1.537 7.046 -11.424 1.00 1.20 N ATOM 327 CA SER A 23 2.584 8.106 -11.433 1.00 1.36 C ATOM 328 C SER A 23 3.837 7.597 -10.719 1.00 1.28 C ATOM 329 O SER A 23 3.762 6.808 -9.798 1.00 1.33 O ATOM 330 CB SER A 23 2.057 9.348 -10.713 1.00 1.45 C ATOM 331 OG SER A 23 1.362 10.169 -11.642 1.00 1.64 O ATOM 0 H SER A 23 1.120 6.856 -10.513 1.00 1.20 H new ATOM 0 HA SER A 23 2.833 8.359 -12.463 1.00 1.36 H new ATOM 0 HB2 SER A 23 1.393 9.057 -9.899 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.883 9.902 -10.267 1.00 1.45 H new ATOM 0 HG SER A 23 1.021 10.965 -11.184 1.00 1.64 H new ATOM 337 N LEU A 24 4.991 8.042 -11.137 1.00 1.31 N ATOM 338 CA LEU A 24 6.250 7.584 -10.483 1.00 1.25 C ATOM 339 C LEU A 24 7.168 8.785 -10.244 1.00 1.30 C ATOM 340 O LEU A 24 7.429 9.567 -11.137 1.00 1.47 O ATOM 341 CB LEU A 24 6.960 6.576 -11.388 1.00 1.40 C ATOM 342 CG LEU A 24 5.952 5.946 -12.350 1.00 1.44 C ATOM 343 CD1 LEU A 24 5.719 6.883 -13.535 1.00 2.02 C ATOM 344 CD2 LEU A 24 6.502 4.611 -12.858 1.00 2.05 C ATOM 0 H LEU A 24 5.116 8.703 -11.903 1.00 1.31 H new ATOM 0 HA LEU A 24 6.011 7.112 -9.530 1.00 1.25 H new ATOM 0 HB2 LEU A 24 7.752 7.072 -11.949 1.00 1.40 H new ATOM 0 HB3 LEU A 24 7.434 5.802 -10.784 1.00 1.40 H new ATOM 0 HG LEU A 24 5.009 5.780 -11.829 1.00 1.44 H new ATOM 0 HD11 LEU A 24 5.000 6.432 -14.219 1.00 2.02 H new ATOM 0 HD12 LEU A 24 5.329 7.835 -13.175 1.00 2.02 H new ATOM 0 HD13 LEU A 24 6.661 7.051 -14.057 1.00 2.02 H new ATOM 0 HD21 LEU A 24 5.785 4.160 -13.544 1.00 2.05 H new ATOM 0 HD22 LEU A 24 7.445 4.780 -13.378 1.00 2.05 H new ATOM 0 HD23 LEU A 24 6.668 3.941 -12.014 1.00 2.05 H new ATOM 356 N TYR A 25 7.662 8.936 -9.045 1.00 1.23 N ATOM 357 CA TYR A 25 8.565 10.084 -8.749 1.00 1.38 C ATOM 358 C TYR A 25 9.035 10.005 -7.294 1.00 1.34 C ATOM 359 O TYR A 25 8.420 9.361 -6.466 1.00 1.42 O ATOM 360 CB TYR A 25 7.807 11.397 -8.967 1.00 1.72 C ATOM 361 CG TYR A 25 7.030 11.747 -7.719 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.371 10.743 -6.998 1.00 1.62 C ATOM 363 CD2 TYR A 25 6.968 13.076 -7.284 1.00 1.22 C ATOM 364 CE1 TYR A 25 5.652 11.067 -5.843 1.00 1.57 C ATOM 365 CE2 TYR A 25 6.248 13.400 -6.127 1.00 1.27 C ATOM 366 CZ TYR A 25 5.590 12.396 -5.407 1.00 1.08 C ATOM 367 OH TYR A 25 4.880 12.717 -4.268 1.00 1.63 O ATOM 0 H TYR A 25 7.479 8.314 -8.258 1.00 1.23 H new ATOM 0 HA TYR A 25 9.429 10.046 -9.412 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.507 12.197 -9.208 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.129 11.301 -9.815 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.418 9.718 -7.334 1.00 1.62 H new ATOM 0 HD2 TYR A 25 7.475 13.851 -7.840 1.00 1.22 H new ATOM 0 HE1 TYR A 25 5.145 10.292 -5.287 1.00 1.57 H new ATOM 0 HE2 TYR A 25 6.201 14.425 -5.790 1.00 1.27 H new ATOM 0 HH TYR A 25 4.940 13.682 -4.106 1.00 1.63 H new ATOM 377 N GLY A 26 10.117 10.661 -6.974 1.00 1.33 N ATOM 378 CA GLY A 26 10.620 10.629 -5.571 1.00 1.32 C ATOM 379 C GLY A 26 11.846 9.718 -5.474 1.00 1.25 C ATOM 380 O GLY A 26 12.737 9.949 -4.681 1.00 1.70 O ATOM 0 H GLY A 26 10.674 11.217 -7.623 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.879 11.637 -5.246 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.837 10.270 -4.903 1.00 1.32 H new ATOM 384 N THR A 27 11.902 8.684 -6.269 1.00 0.93 N ATOM 385 CA THR A 27 13.077 7.767 -6.206 1.00 0.90 C ATOM 386 C THR A 27 13.923 7.929 -7.466 1.00 0.92 C ATOM 387 O THR A 27 14.109 9.015 -7.976 1.00 0.97 O ATOM 388 CB THR A 27 12.593 6.315 -6.118 1.00 0.88 C ATOM 389 OG1 THR A 27 13.643 5.432 -6.490 1.00 0.73 O ATOM 390 CG2 THR A 27 11.398 6.113 -7.050 1.00 0.95 C ATOM 0 H THR A 27 11.190 8.435 -6.956 1.00 0.93 H new ATOM 0 HA THR A 27 13.673 8.013 -5.327 1.00 0.90 H new ATOM 0 HB THR A 27 12.292 6.101 -5.093 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.281 5.352 -5.750 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.056 5.080 -6.985 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.589 6.782 -6.755 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.695 6.333 -8.075 1.00 0.95 H new ATOM 398 N SER A 28 14.430 6.842 -7.966 1.00 1.12 N ATOM 399 CA SER A 28 15.265 6.895 -9.197 1.00 1.40 C ATOM 400 C SER A 28 14.371 6.707 -10.423 1.00 1.29 C ATOM 401 O SER A 28 13.551 5.812 -10.472 1.00 0.98 O ATOM 402 CB SER A 28 16.312 5.781 -9.155 1.00 1.80 C ATOM 403 OG SER A 28 15.698 4.577 -8.716 1.00 1.73 O ATOM 0 H SER A 28 14.302 5.910 -7.573 1.00 1.12 H new ATOM 0 HA SER A 28 15.767 7.861 -9.254 1.00 1.40 H new ATOM 0 HB2 SER A 28 16.750 5.640 -10.143 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.125 6.055 -8.482 1.00 1.80 H new ATOM 0 HG SER A 28 14.771 4.549 -9.032 1.00 1.73 H new ATOM 409 N GLU A 29 14.522 7.540 -11.416 1.00 1.62 N ATOM 410 CA GLU A 29 13.678 7.397 -12.635 1.00 1.60 C ATOM 411 C GLU A 29 13.461 5.907 -12.922 1.00 1.23 C ATOM 412 O GLU A 29 14.340 5.238 -13.430 1.00 1.37 O ATOM 413 CB GLU A 29 14.391 8.044 -13.825 1.00 2.07 C ATOM 414 CG GLU A 29 13.671 7.665 -15.121 1.00 1.86 C ATOM 415 CD GLU A 29 13.529 8.904 -16.007 1.00 1.99 C ATOM 416 OE1 GLU A 29 13.308 9.975 -15.464 1.00 2.40 O ATOM 417 OE2 GLU A 29 13.643 8.761 -17.213 1.00 2.35 O ATOM 0 H GLU A 29 15.190 8.310 -11.436 1.00 1.62 H new ATOM 0 HA GLU A 29 12.717 7.886 -12.477 1.00 1.60 H new ATOM 0 HB2 GLU A 29 14.405 9.128 -13.708 1.00 2.07 H new ATOM 0 HB3 GLU A 29 15.429 7.714 -13.864 1.00 2.07 H new ATOM 0 HG2 GLU A 29 14.230 6.891 -15.647 1.00 1.86 H new ATOM 0 HG3 GLU A 29 12.688 7.251 -14.896 1.00 1.86 H new ATOM 424 N PRO A 30 12.307 5.384 -12.596 1.00 0.95 N ATOM 425 CA PRO A 30 11.992 3.946 -12.824 1.00 0.81 C ATOM 426 C PRO A 30 12.394 3.495 -14.230 1.00 0.80 C ATOM 427 O PRO A 30 12.442 4.285 -15.152 1.00 0.86 O ATOM 428 CB PRO A 30 10.475 3.870 -12.652 1.00 0.94 C ATOM 429 CG PRO A 30 10.107 5.026 -11.782 1.00 1.13 C ATOM 430 CD PRO A 30 11.177 6.102 -11.983 1.00 1.10 C ATOM 0 HA PRO A 30 12.535 3.295 -12.139 1.00 0.81 H new ATOM 0 HB2 PRO A 30 9.969 3.929 -13.615 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.180 2.926 -12.194 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.122 5.409 -12.047 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.060 4.721 -10.737 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.818 6.904 -12.629 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.463 6.559 -11.036 1.00 1.10 H new ATOM 438 N VAL A 31 12.691 2.237 -14.407 1.00 0.80 N ATOM 439 CA VAL A 31 13.095 1.763 -15.760 1.00 0.82 C ATOM 440 C VAL A 31 12.430 0.420 -16.071 1.00 0.78 C ATOM 441 O VAL A 31 12.702 -0.579 -15.433 1.00 0.84 O ATOM 442 CB VAL A 31 14.615 1.597 -15.807 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.022 0.984 -17.149 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.281 2.965 -15.651 1.00 1.05 C ATOM 0 H VAL A 31 12.672 1.522 -13.680 1.00 0.80 H new ATOM 0 HA VAL A 31 12.779 2.497 -16.501 1.00 0.82 H new ATOM 0 HB VAL A 31 14.933 0.941 -14.997 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.105 0.866 -17.182 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.547 0.009 -17.263 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.704 1.639 -17.960 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.364 2.848 -15.684 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.962 3.620 -16.462 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.993 3.403 -14.696 1.00 1.05 H new ATOM 454 N PHE A 32 11.571 0.390 -17.058 1.00 0.74 N ATOM 455 CA PHE A 32 10.898 -0.887 -17.430 1.00 0.77 C ATOM 456 C PHE A 32 11.852 -1.753 -18.254 1.00 0.87 C ATOM 457 O PHE A 32 11.909 -1.662 -19.464 1.00 1.19 O ATOM 458 CB PHE A 32 9.623 -0.594 -18.228 1.00 0.78 C ATOM 459 CG PHE A 32 9.746 0.726 -18.955 1.00 0.93 C ATOM 460 CD1 PHE A 32 10.464 0.816 -20.153 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.122 1.864 -18.428 1.00 1.63 C ATOM 462 CE1 PHE A 32 10.563 2.044 -20.820 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.219 3.090 -19.094 1.00 1.82 C ATOM 464 CZ PHE A 32 9.939 3.180 -20.291 1.00 1.56 C ATOM 0 H PHE A 32 11.307 1.198 -17.622 1.00 0.74 H new ATOM 0 HA PHE A 32 10.626 -1.426 -16.523 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.443 -1.395 -18.945 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.765 -0.568 -17.557 1.00 0.78 H new ATOM 0 HD1 PHE A 32 10.942 -0.061 -20.563 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.565 1.795 -17.505 1.00 1.63 H new ATOM 0 HE1 PHE A 32 11.121 2.114 -21.742 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.739 3.967 -18.685 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.013 4.126 -20.807 1.00 1.56 H new ATOM 474 N ALA A 33 12.605 -2.594 -17.602 1.00 0.77 N ATOM 475 CA ALA A 33 13.560 -3.468 -18.341 1.00 0.84 C ATOM 476 C ALA A 33 12.833 -4.720 -18.839 1.00 0.67 C ATOM 477 O ALA A 33 11.973 -4.648 -19.696 1.00 0.92 O ATOM 478 CB ALA A 33 14.703 -3.873 -17.409 1.00 1.17 C ATOM 0 H ALA A 33 12.601 -2.714 -16.589 1.00 0.77 H new ATOM 0 HA ALA A 33 13.963 -2.924 -19.195 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.403 -4.512 -17.948 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.222 -2.980 -17.060 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.300 -4.416 -16.554 1.00 1.17 H new ATOM 484 N ASP A 34 13.171 -5.866 -18.315 1.00 0.77 N ATOM 485 CA ASP A 34 12.501 -7.119 -18.764 1.00 0.85 C ATOM 486 C ASP A 34 10.995 -7.017 -18.508 1.00 0.84 C ATOM 487 O ASP A 34 10.442 -7.740 -17.703 1.00 0.99 O ATOM 488 CB ASP A 34 13.071 -8.308 -17.987 1.00 1.13 C ATOM 489 CG ASP A 34 14.079 -9.054 -18.865 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.179 -8.553 -19.026 1.00 1.78 O ATOM 491 OD2 ASP A 34 13.732 -10.115 -19.359 1.00 2.21 O ATOM 0 H ASP A 34 13.883 -5.989 -17.595 1.00 0.77 H new ATOM 0 HA ASP A 34 12.677 -7.262 -19.830 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.554 -7.961 -17.074 1.00 1.13 H new ATOM 0 HB3 ASP A 34 12.267 -8.980 -17.687 1.00 1.13 H new ATOM 496 N GLY A 35 10.328 -6.125 -19.187 1.00 0.84 N ATOM 497 CA GLY A 35 8.859 -5.980 -18.982 1.00 1.02 C ATOM 498 C GLY A 35 8.579 -5.618 -17.522 1.00 0.90 C ATOM 499 O GLY A 35 7.443 -5.536 -17.100 1.00 1.19 O ATOM 0 H GLY A 35 10.736 -5.491 -19.874 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.464 -5.207 -19.641 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.352 -6.909 -19.241 1.00 1.02 H new ATOM 503 N ARG A 36 9.606 -5.399 -16.748 1.00 0.66 N ATOM 504 CA ARG A 36 9.395 -5.041 -15.316 1.00 0.63 C ATOM 505 C ARG A 36 10.074 -3.704 -15.018 1.00 0.62 C ATOM 506 O ARG A 36 11.086 -3.367 -15.601 1.00 0.68 O ATOM 507 CB ARG A 36 9.996 -6.124 -14.419 1.00 0.70 C ATOM 508 CG ARG A 36 11.407 -6.468 -14.900 1.00 1.16 C ATOM 509 CD ARG A 36 12.120 -7.285 -13.822 1.00 1.40 C ATOM 510 NE ARG A 36 13.372 -6.585 -13.412 1.00 2.02 N ATOM 511 CZ ARG A 36 14.200 -6.118 -14.308 1.00 2.19 C ATOM 512 NH1 ARG A 36 13.980 -6.325 -15.577 1.00 2.28 N ATOM 513 NH2 ARG A 36 15.260 -5.457 -13.931 1.00 2.91 N ATOM 0 H ARG A 36 10.581 -5.452 -17.044 1.00 0.66 H new ATOM 0 HA ARG A 36 8.326 -4.960 -15.121 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.028 -5.778 -13.386 1.00 0.70 H new ATOM 0 HB3 ARG A 36 9.368 -7.015 -14.437 1.00 0.70 H new ATOM 0 HG2 ARG A 36 11.359 -7.034 -15.830 1.00 1.16 H new ATOM 0 HG3 ARG A 36 11.965 -5.556 -15.110 1.00 1.16 H new ATOM 0 HD2 ARG A 36 11.466 -7.418 -12.960 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.355 -8.280 -14.201 1.00 1.40 H new ATOM 0 HE ARG A 36 13.584 -6.470 -12.421 1.00 2.02 H new ATOM 0 HH11 ARG A 36 13.159 -6.853 -15.873 1.00 2.28 H new ATOM 0 HH12 ARG A 36 14.629 -5.959 -16.273 1.00 2.28 H new ATOM 0 HH21 ARG A 36 15.441 -5.306 -12.939 1.00 2.91 H new ATOM 0 HH22 ARG A 36 15.908 -5.091 -14.629 1.00 2.91 H new ATOM 527 N MET A 37 9.528 -2.940 -14.113 1.00 0.63 N ATOM 528 CA MET A 37 10.145 -1.627 -13.782 1.00 0.67 C ATOM 529 C MET A 37 10.658 -1.647 -12.345 1.00 0.68 C ATOM 530 O MET A 37 9.970 -2.058 -11.432 1.00 0.67 O ATOM 531 CB MET A 37 9.105 -0.515 -13.941 1.00 0.71 C ATOM 532 CG MET A 37 9.483 0.672 -13.051 1.00 0.75 C ATOM 533 SD MET A 37 8.987 0.325 -11.344 1.00 0.88 S ATOM 534 CE MET A 37 7.653 1.544 -11.241 1.00 0.93 C ATOM 0 H MET A 37 8.683 -3.168 -13.590 1.00 0.63 H new ATOM 0 HA MET A 37 10.979 -1.441 -14.459 1.00 0.67 H new ATOM 0 HB2 MET A 37 9.052 -0.199 -14.983 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.117 -0.886 -13.670 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.557 0.850 -13.100 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.993 1.578 -13.407 1.00 0.75 H new ATOM 0 HE1 MET A 37 7.988 2.402 -10.659 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.380 1.871 -12.245 1.00 0.93 H new ATOM 0 HE3 MET A 37 6.786 1.094 -10.758 1.00 0.93 H new ATOM 544 N CYS A 38 11.868 -1.205 -12.139 1.00 0.73 N ATOM 545 CA CYS A 38 12.426 -1.198 -10.759 1.00 0.78 C ATOM 546 C CYS A 38 12.857 0.221 -10.385 1.00 0.89 C ATOM 547 O CYS A 38 13.190 1.026 -11.234 1.00 0.88 O ATOM 548 CB CYS A 38 13.635 -2.133 -10.689 1.00 0.79 C ATOM 549 SG CYS A 38 13.516 -3.160 -9.203 1.00 1.06 S ATOM 0 H CYS A 38 12.492 -0.850 -12.864 1.00 0.73 H new ATOM 0 HA CYS A 38 11.662 -1.540 -10.061 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.673 -2.763 -11.578 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.557 -1.552 -10.670 1.00 0.79 H new ATOM 554 N VAL A 39 12.851 0.528 -9.117 1.00 1.04 N ATOM 555 CA VAL A 39 13.262 1.889 -8.671 1.00 1.18 C ATOM 556 C VAL A 39 14.364 1.754 -7.619 1.00 1.37 C ATOM 557 O VAL A 39 14.301 0.910 -6.746 1.00 1.26 O ATOM 558 CB VAL A 39 12.060 2.612 -8.059 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.215 3.227 -9.175 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.212 1.613 -7.270 1.00 1.26 C ATOM 0 H VAL A 39 12.578 -0.108 -8.368 1.00 1.04 H new ATOM 0 HA VAL A 39 13.630 2.461 -9.523 1.00 1.18 H new ATOM 0 HB VAL A 39 12.410 3.399 -7.391 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.358 3.742 -8.741 1.00 1.26 H new ATOM 0 HG12 VAL A 39 11.819 3.938 -9.739 1.00 1.26 H new ATOM 0 HG13 VAL A 39 10.865 2.439 -9.842 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.356 2.127 -6.834 1.00 1.26 H new ATOM 0 HG22 VAL A 39 10.861 0.826 -7.938 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.814 1.173 -6.475 1.00 1.26 H new ATOM 570 N ASP A 40 15.375 2.576 -7.693 1.00 1.71 N ATOM 571 CA ASP A 40 16.477 2.491 -6.694 1.00 1.97 C ATOM 572 C ASP A 40 15.990 3.035 -5.350 1.00 1.61 C ATOM 573 O ASP A 40 15.766 4.219 -5.193 1.00 2.31 O ATOM 574 CB ASP A 40 17.669 3.320 -7.179 1.00 3.21 C ATOM 575 CG ASP A 40 17.976 2.972 -8.636 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.305 1.826 -8.895 1.00 4.79 O ATOM 577 OD2 ASP A 40 17.876 3.857 -9.470 1.00 4.39 O ATOM 0 H ASP A 40 15.485 3.302 -8.401 1.00 1.71 H new ATOM 0 HA ASP A 40 16.781 1.451 -6.576 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.447 4.383 -7.087 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.541 3.122 -6.556 1.00 3.21 H new ATOM 582 N LEU A 41 15.823 2.180 -4.379 1.00 1.25 N ATOM 583 CA LEU A 41 15.350 2.650 -3.046 1.00 1.86 C ATOM 584 C LEU A 41 16.421 2.359 -1.990 1.00 1.67 C ATOM 585 O LEU A 41 16.289 1.450 -1.196 1.00 1.20 O ATOM 586 CB LEU A 41 14.058 1.920 -2.675 1.00 2.45 C ATOM 587 CG LEU A 41 12.858 2.719 -3.184 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.743 4.022 -2.393 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.049 3.038 -4.668 1.00 3.54 C ATOM 0 H LEU A 41 15.993 1.177 -4.451 1.00 1.25 H new ATOM 0 HA LEU A 41 15.162 3.723 -3.087 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.054 0.921 -3.110 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.995 1.797 -1.594 1.00 2.45 H new ATOM 0 HG LEU A 41 11.949 2.132 -3.054 1.00 2.88 H new ATOM 0 HD11 LEU A 41 11.888 4.593 -2.755 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.607 3.795 -1.336 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.652 4.609 -2.524 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.193 3.608 -5.031 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.958 3.625 -4.800 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.132 2.109 -5.232 1.00 3.54 H new ATOM 601 N PRO A 42 17.472 3.133 -1.986 1.00 2.30 N ATOM 602 CA PRO A 42 18.591 2.969 -1.015 1.00 2.32 C ATOM 603 C PRO A 42 18.230 3.494 0.378 1.00 1.85 C ATOM 604 O PRO A 42 17.072 3.607 0.728 1.00 2.18 O ATOM 605 CB PRO A 42 19.722 3.799 -1.622 1.00 3.11 C ATOM 606 CG PRO A 42 19.048 4.843 -2.451 1.00 3.74 C ATOM 607 CD PRO A 42 17.711 4.254 -2.910 1.00 3.24 C ATOM 0 HA PRO A 42 18.851 1.921 -0.869 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.338 4.252 -0.845 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.381 3.179 -2.230 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.890 5.753 -1.872 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.665 5.113 -3.308 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.911 4.992 -2.855 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.760 3.914 -3.944 1.00 3.24 H new ATOM 615 N GLY A 43 19.213 3.816 1.175 1.00 1.69 N ATOM 616 CA GLY A 43 18.924 4.332 2.542 1.00 1.65 C ATOM 617 C GLY A 43 19.296 5.814 2.619 1.00 1.62 C ATOM 618 O GLY A 43 20.379 6.212 2.241 1.00 2.03 O ATOM 0 H GLY A 43 20.202 3.744 0.938 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.868 4.199 2.776 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.489 3.766 3.283 1.00 1.65 H new ATOM 622 N GLY A 44 18.405 6.634 3.107 1.00 1.61 N ATOM 623 CA GLY A 44 18.707 8.089 3.208 1.00 2.13 C ATOM 624 C GLY A 44 17.465 8.897 2.826 1.00 2.06 C ATOM 625 O GLY A 44 17.557 9.947 2.222 1.00 2.41 O ATOM 0 H GLY A 44 17.481 6.358 3.440 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.017 8.337 4.223 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.537 8.345 2.550 1.00 2.13 H new ATOM 629 N GLN A 45 16.304 8.414 3.172 1.00 1.86 N ATOM 630 CA GLN A 45 15.057 9.151 2.828 1.00 1.96 C ATOM 631 C GLN A 45 14.569 9.929 4.053 1.00 1.90 C ATOM 632 O GLN A 45 14.049 9.360 4.993 1.00 1.92 O ATOM 633 CB GLN A 45 13.983 8.152 2.398 1.00 2.10 C ATOM 634 CG GLN A 45 14.093 7.897 0.893 1.00 2.29 C ATOM 635 CD GLN A 45 13.006 8.685 0.160 1.00 2.34 C ATOM 636 OE1 GLN A 45 11.842 8.346 0.231 1.00 2.96 O ATOM 637 NE2 GLN A 45 13.339 9.731 -0.545 1.00 2.07 N ATOM 0 H GLN A 45 16.165 7.540 3.679 1.00 1.86 H new ATOM 0 HA GLN A 45 15.257 9.847 2.013 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.102 7.217 2.945 1.00 2.10 H new ATOM 0 HB3 GLN A 45 12.993 8.540 2.640 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.078 8.196 0.534 1.00 2.29 H new ATOM 0 HG3 GLN A 45 13.987 6.832 0.685 1.00 2.29 H new ATOM 0 HE21 GLN A 45 14.317 10.016 -0.605 1.00 2.07 H new ATOM 0 HE22 GLN A 45 12.622 10.264 -1.037 1.00 2.07 H new ATOM 646 N GLY A 46 14.733 11.224 4.051 1.00 2.04 N ATOM 647 CA GLY A 46 14.278 12.034 5.215 1.00 2.08 C ATOM 648 C GLY A 46 12.750 12.061 5.257 1.00 2.01 C ATOM 649 O GLY A 46 12.152 12.860 5.950 1.00 2.08 O ATOM 0 H GLY A 46 15.162 11.755 3.293 1.00 2.04 H new ATOM 0 HA2 GLY A 46 14.670 11.611 6.140 1.00 2.08 H new ATOM 0 HA3 GLY A 46 14.667 13.049 5.139 1.00 2.08 H new ATOM 653 N ASN A 47 12.111 11.195 4.519 1.00 2.09 N ATOM 654 CA ASN A 47 10.621 11.172 4.517 1.00 2.14 C ATOM 655 C ASN A 47 10.128 10.070 3.577 1.00 1.80 C ATOM 656 O ASN A 47 10.783 9.727 2.613 1.00 1.63 O ATOM 657 CB ASN A 47 10.092 12.528 4.040 1.00 2.60 C ATOM 658 CG ASN A 47 11.095 13.154 3.069 1.00 2.84 C ATOM 659 OD1 ASN A 47 12.001 12.400 2.509 1.00 2.65 O flip ATOM 660 ND2 ASN A 47 11.054 14.342 2.819 1.00 3.61 N flip ATOM 0 H ASN A 47 12.557 10.502 3.917 1.00 2.09 H new ATOM 0 HA ASN A 47 10.258 10.975 5.526 1.00 2.14 H new ATOM 0 HB2 ASN A 47 9.126 12.402 3.551 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.934 13.189 4.892 1.00 2.60 H new ATOM 0 HD21 ASN A 47 10.346 14.931 3.257 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.728 14.750 2.171 1.00 3.61 H new ATOM 667 N PRO A 48 8.979 9.521 3.862 1.00 1.85 N ATOM 668 CA PRO A 48 8.374 8.436 3.037 1.00 1.74 C ATOM 669 C PRO A 48 7.859 8.950 1.690 1.00 1.36 C ATOM 670 O PRO A 48 8.217 8.443 0.644 1.00 1.19 O ATOM 671 CB PRO A 48 7.214 7.928 3.894 1.00 2.19 C ATOM 672 CG PRO A 48 6.850 9.067 4.788 1.00 2.36 C ATOM 673 CD PRO A 48 8.127 9.880 5.007 1.00 2.21 C ATOM 0 HA PRO A 48 9.102 7.664 2.790 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.369 7.630 3.274 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.508 7.053 4.473 1.00 2.19 H new ATOM 0 HG2 PRO A 48 6.073 9.682 4.334 1.00 2.36 H new ATOM 0 HG3 PRO A 48 6.455 8.703 5.737 1.00 2.36 H new ATOM 0 HD2 PRO A 48 7.920 10.950 5.030 1.00 2.21 H new ATOM 0 HD3 PRO A 48 8.604 9.627 5.954 1.00 2.21 H new ATOM 681 N TRP A 49 7.023 9.951 1.706 1.00 1.49 N ATOM 682 CA TRP A 49 6.487 10.495 0.426 1.00 1.39 C ATOM 683 C TRP A 49 7.639 11.059 -0.408 1.00 1.17 C ATOM 684 O TRP A 49 7.549 12.137 -0.961 1.00 1.45 O ATOM 685 CB TRP A 49 5.483 11.610 0.726 1.00 1.79 C ATOM 686 CG TRP A 49 6.043 12.511 1.780 1.00 1.85 C ATOM 687 CD1 TRP A 49 6.963 13.479 1.566 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.737 12.545 3.205 1.00 2.46 C ATOM 689 NE1 TRP A 49 7.242 14.105 2.767 1.00 1.97 N ATOM 690 CE2 TRP A 49 6.512 13.565 3.807 1.00 2.36 C ATOM 691 CE3 TRP A 49 4.872 11.798 4.024 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.431 13.833 5.175 1.00 2.90 C ATOM 693 CZ3 TRP A 49 4.789 12.065 5.399 1.00 3.87 C ATOM 694 CH2 TRP A 49 5.566 13.080 5.975 1.00 3.62 C ATOM 0 H TRP A 49 6.688 10.416 2.550 1.00 1.49 H new ATOM 0 HA TRP A 49 5.991 9.699 -0.128 1.00 1.39 H new ATOM 0 HB2 TRP A 49 5.272 12.178 -0.180 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.538 11.183 1.061 1.00 1.79 H new ATOM 0 HD1 TRP A 49 7.407 13.723 0.612 1.00 1.69 H new ATOM 0 HE1 TRP A 49 7.906 14.872 2.872 1.00 1.97 H new ATOM 0 HE3 TRP A 49 4.268 11.014 3.592 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 7.032 14.616 5.612 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 4.122 11.484 6.018 1.00 3.87 H new ATOM 0 HH2 TRP A 49 5.497 13.280 7.034 1.00 3.62 H new ATOM 705 N ASP A 50 8.722 10.338 -0.503 1.00 1.07 N ATOM 706 CA ASP A 50 9.880 10.833 -1.301 1.00 1.36 C ATOM 707 C ASP A 50 10.425 9.693 -2.165 1.00 1.21 C ATOM 708 O ASP A 50 11.620 9.541 -2.324 1.00 1.27 O ATOM 709 CB ASP A 50 10.977 11.329 -0.355 1.00 1.73 C ATOM 710 CG ASP A 50 10.409 12.409 0.565 1.00 2.02 C ATOM 711 OD1 ASP A 50 9.418 12.139 1.224 1.00 2.14 O ATOM 712 OD2 ASP A 50 10.974 13.490 0.598 1.00 2.38 O ATOM 0 H ASP A 50 8.856 9.428 -0.063 1.00 1.07 H new ATOM 0 HA ASP A 50 9.558 11.653 -1.942 1.00 1.36 H new ATOM 0 HB2 ASP A 50 11.364 10.499 0.237 1.00 1.73 H new ATOM 0 HB3 ASP A 50 11.813 11.728 -0.929 1.00 1.73 H new ATOM 717 N ALA A 51 9.559 8.893 -2.723 1.00 1.09 N ATOM 718 CA ALA A 51 10.028 7.764 -3.575 1.00 1.02 C ATOM 719 C ALA A 51 8.949 6.683 -3.630 1.00 0.89 C ATOM 720 O ALA A 51 8.664 6.026 -2.648 1.00 0.87 O ATOM 721 CB ALA A 51 11.310 7.175 -2.982 1.00 1.11 C ATOM 0 H ALA A 51 8.547 8.972 -2.626 1.00 1.09 H new ATOM 0 HA ALA A 51 10.228 8.129 -4.582 1.00 1.02 H new ATOM 0 HB1 ALA A 51 11.653 6.349 -3.605 1.00 1.11 H new ATOM 0 HB2 ALA A 51 12.080 7.945 -2.944 1.00 1.11 H new ATOM 0 HB3 ALA A 51 11.111 6.811 -1.974 1.00 1.11 H new ATOM 727 N GLY A 52 8.344 6.492 -4.771 1.00 0.86 N ATOM 728 CA GLY A 52 7.284 5.453 -4.885 1.00 0.86 C ATOM 729 C GLY A 52 6.346 5.800 -6.043 1.00 0.87 C ATOM 730 O GLY A 52 6.402 6.879 -6.598 1.00 0.94 O ATOM 0 H GLY A 52 8.538 7.011 -5.628 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.736 4.475 -5.051 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.721 5.390 -3.954 1.00 0.86 H new ATOM 734 N LEU A 53 5.481 4.895 -6.407 1.00 0.83 N ATOM 735 CA LEU A 53 4.537 5.172 -7.523 1.00 0.84 C ATOM 736 C LEU A 53 3.126 5.355 -6.962 1.00 0.79 C ATOM 737 O LEU A 53 2.730 4.693 -6.023 1.00 0.78 O ATOM 738 CB LEU A 53 4.559 4.012 -8.525 1.00 0.85 C ATOM 739 CG LEU A 53 4.451 2.674 -7.791 1.00 0.90 C ATOM 740 CD1 LEU A 53 2.987 2.234 -7.738 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.268 1.619 -8.543 1.00 0.96 C ATOM 0 H LEU A 53 5.388 3.974 -5.978 1.00 0.83 H new ATOM 0 HA LEU A 53 4.840 6.084 -8.036 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.734 4.116 -9.230 1.00 0.85 H new ATOM 0 HB3 LEU A 53 5.480 4.042 -9.106 1.00 0.85 H new ATOM 0 HG LEU A 53 4.834 2.784 -6.776 1.00 0.90 H new ATOM 0 HD11 LEU A 53 2.912 1.281 -7.215 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.400 2.985 -7.209 1.00 0.90 H new ATOM 0 HD13 LEU A 53 2.604 2.122 -8.752 1.00 0.90 H new ATOM 0 HD21 LEU A 53 5.194 0.663 -8.024 1.00 0.96 H new ATOM 0 HD22 LEU A 53 4.880 1.512 -9.556 1.00 0.96 H new ATOM 0 HD23 LEU A 53 6.312 1.929 -8.585 1.00 0.96 H new ATOM 753 N VAL A 54 2.368 6.256 -7.523 1.00 0.79 N ATOM 754 CA VAL A 54 0.986 6.491 -7.013 1.00 0.78 C ATOM 755 C VAL A 54 -0.032 6.222 -8.124 1.00 0.80 C ATOM 756 O VAL A 54 0.324 5.960 -9.256 1.00 0.90 O ATOM 757 CB VAL A 54 0.861 7.944 -6.549 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.396 8.105 -5.688 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.093 8.322 -5.724 1.00 0.92 C ATOM 0 H VAL A 54 2.645 6.840 -8.312 1.00 0.79 H new ATOM 0 HA VAL A 54 0.790 5.818 -6.178 1.00 0.78 H new ATOM 0 HB VAL A 54 0.789 8.596 -7.420 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.482 9.141 -5.359 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -1.275 7.836 -6.274 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.327 7.453 -4.817 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.006 9.357 -5.393 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.164 7.668 -4.855 1.00 0.92 H new ATOM 0 HG23 VAL A 54 2.988 8.211 -6.336 1.00 0.92 H new ATOM 769 N TYR A 55 -1.298 6.282 -7.809 1.00 0.78 N ATOM 770 CA TYR A 55 -2.339 6.029 -8.845 1.00 0.82 C ATOM 771 C TYR A 55 -3.728 6.139 -8.212 1.00 0.81 C ATOM 772 O TYR A 55 -3.934 5.762 -7.076 1.00 1.06 O ATOM 773 CB TYR A 55 -2.150 4.624 -9.419 1.00 0.83 C ATOM 774 CG TYR A 55 -3.334 4.262 -10.284 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.565 4.951 -11.482 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.198 3.232 -9.892 1.00 1.59 C ATOM 777 CE1 TYR A 55 -4.661 4.612 -12.284 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.294 2.893 -10.696 1.00 1.70 C ATOM 779 CZ TYR A 55 -5.526 3.584 -11.891 1.00 1.37 C ATOM 780 OH TYR A 55 -6.606 3.250 -12.683 1.00 1.61 O ATOM 0 H TYR A 55 -1.656 6.496 -6.878 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.246 6.766 -9.643 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.232 4.581 -10.006 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.045 3.902 -8.610 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -2.898 5.744 -11.787 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.019 2.699 -8.970 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -4.839 5.144 -13.207 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -5.960 2.098 -10.394 1.00 1.70 H new ATOM 0 HH TYR A 55 -6.620 3.826 -13.476 1.00 1.61 H new ATOM 790 N ASN A 56 -4.683 6.651 -8.939 1.00 0.93 N ATOM 791 CA ASN A 56 -6.056 6.785 -8.382 1.00 1.01 C ATOM 792 C ASN A 56 -6.926 5.633 -8.888 1.00 1.28 C ATOM 793 O ASN A 56 -6.432 4.647 -9.398 1.00 2.04 O ATOM 794 CB ASN A 56 -6.657 8.116 -8.835 1.00 1.81 C ATOM 795 CG ASN A 56 -6.322 9.203 -7.811 1.00 2.22 C ATOM 796 OD1 ASN A 56 -6.916 10.263 -7.815 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.387 8.983 -6.928 1.00 2.47 N ATOM 0 H ASN A 56 -4.570 6.983 -9.897 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.014 6.755 -7.293 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.264 8.390 -9.814 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.738 8.022 -8.941 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.155 9.701 -6.241 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.888 8.093 -6.924 1.00 2.47 H new ATOM 804 N GLY A 57 -8.219 5.749 -8.753 1.00 1.18 N ATOM 805 CA GLY A 57 -9.120 4.660 -9.226 1.00 1.77 C ATOM 806 C GLY A 57 -9.037 3.472 -8.266 1.00 1.64 C ATOM 807 O GLY A 57 -8.558 2.412 -8.615 1.00 2.48 O ATOM 0 H GLY A 57 -8.691 6.551 -8.335 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.146 5.023 -9.284 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.835 4.349 -10.231 1.00 1.77 H new ATOM 811 N VAL A 58 -9.502 3.640 -7.058 1.00 1.34 N ATOM 812 CA VAL A 58 -9.450 2.520 -6.078 1.00 1.99 C ATOM 813 C VAL A 58 -10.595 2.668 -5.073 1.00 1.78 C ATOM 814 O VAL A 58 -10.387 3.033 -3.933 1.00 1.95 O ATOM 815 CB VAL A 58 -8.113 2.551 -5.335 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.971 3.880 -4.590 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.061 1.396 -4.334 1.00 2.88 C ATOM 0 H VAL A 58 -9.915 4.504 -6.708 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.549 1.572 -6.606 1.00 1.99 H new ATOM 0 HB VAL A 58 -7.297 2.449 -6.051 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.018 3.901 -4.061 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.008 4.703 -5.304 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -8.786 3.984 -3.874 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.109 1.417 -3.804 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -8.877 1.498 -3.619 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.160 0.449 -4.865 1.00 2.88 H new ATOM 827 N PRO A 59 -11.795 2.387 -5.500 1.00 1.85 N ATOM 828 CA PRO A 59 -13.005 2.487 -4.636 1.00 1.84 C ATOM 829 C PRO A 59 -13.116 1.320 -3.652 1.00 1.90 C ATOM 830 O PRO A 59 -12.553 0.264 -3.859 1.00 2.05 O ATOM 831 CB PRO A 59 -14.162 2.455 -5.635 1.00 2.07 C ATOM 832 CG PRO A 59 -13.643 1.710 -6.820 1.00 2.39 C ATOM 833 CD PRO A 59 -12.130 1.941 -6.862 1.00 2.40 C ATOM 0 HA PRO A 59 -12.987 3.382 -4.015 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.034 1.958 -5.210 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -14.472 3.463 -5.910 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -13.869 0.647 -6.737 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.114 2.066 -7.736 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -11.595 1.029 -7.125 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -11.862 2.693 -7.604 1.00 2.40 H new ATOM 841 N VAL A 60 -13.842 1.503 -2.582 1.00 2.10 N ATOM 842 CA VAL A 60 -13.993 0.405 -1.586 1.00 2.46 C ATOM 843 C VAL A 60 -15.367 0.508 -0.921 1.00 2.53 C ATOM 844 O VAL A 60 -15.587 1.326 -0.050 1.00 2.50 O ATOM 845 CB VAL A 60 -12.901 0.526 -0.521 1.00 2.79 C ATOM 846 CG1 VAL A 60 -12.782 -0.795 0.241 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.565 0.846 -1.196 1.00 2.93 C ATOM 0 H VAL A 60 -14.337 2.366 -2.355 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.902 -0.557 -2.090 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.159 1.325 0.174 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.004 -0.709 1.000 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -13.733 -1.025 0.721 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.524 -1.594 -0.454 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -10.786 0.933 -0.438 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.308 0.047 -1.891 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.648 1.787 -1.740 1.00 2.93 H new ATOM 857 N GLY A 61 -16.296 -0.315 -1.325 1.00 2.83 N ATOM 858 CA GLY A 61 -17.655 -0.264 -0.716 1.00 3.05 C ATOM 859 C GLY A 61 -17.609 -0.860 0.691 1.00 2.72 C ATOM 860 O GLY A 61 -17.266 -2.011 0.877 1.00 2.61 O ATOM 0 H GLY A 61 -16.172 -1.021 -2.051 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.007 0.767 -0.674 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -18.362 -0.818 -1.333 1.00 3.05 H new ATOM 864 N GLU A 62 -17.952 -0.086 1.685 1.00 3.03 N ATOM 865 CA GLU A 62 -17.927 -0.609 3.080 1.00 2.96 C ATOM 866 C GLU A 62 -18.853 -1.823 3.188 1.00 2.29 C ATOM 867 O GLU A 62 -20.020 -1.755 2.856 1.00 2.02 O ATOM 868 CB GLU A 62 -18.403 0.483 4.042 1.00 4.03 C ATOM 869 CG GLU A 62 -18.953 -0.162 5.316 1.00 4.32 C ATOM 870 CD GLU A 62 -19.091 0.901 6.407 1.00 5.32 C ATOM 871 OE1 GLU A 62 -19.116 2.072 6.066 1.00 6.05 O ATOM 872 OE2 GLU A 62 -19.171 0.526 7.565 1.00 5.54 O ATOM 0 H GLU A 62 -18.248 0.885 1.591 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.910 -0.905 3.339 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -17.577 1.151 4.287 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.174 1.090 3.567 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -19.921 -0.620 5.115 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -18.287 -0.957 5.650 1.00 4.32 H new ATOM 879 N GLY A 63 -18.346 -2.932 3.653 1.00 2.54 N ATOM 880 CA GLY A 63 -19.203 -4.144 3.783 1.00 2.46 C ATOM 881 C GLY A 63 -18.473 -5.356 3.201 1.00 2.21 C ATOM 882 O GLY A 63 -18.416 -6.407 3.808 1.00 2.29 O ATOM 0 H GLY A 63 -17.377 -3.051 3.948 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.443 -4.321 4.831 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.148 -3.991 3.261 1.00 2.46 H new ATOM 886 N GLU A 64 -17.918 -5.221 2.028 1.00 2.23 N ATOM 887 CA GLU A 64 -17.195 -6.366 1.409 1.00 2.27 C ATOM 888 C GLU A 64 -15.690 -6.196 1.619 1.00 2.19 C ATOM 889 O GLU A 64 -15.221 -5.141 2.000 1.00 2.81 O ATOM 890 CB GLU A 64 -17.500 -6.406 -0.089 1.00 2.70 C ATOM 891 CG GLU A 64 -18.734 -7.275 -0.339 1.00 3.18 C ATOM 892 CD GLU A 64 -19.606 -6.626 -1.416 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.062 -6.236 -2.436 1.00 4.03 O ATOM 894 OE2 GLU A 64 -20.804 -6.531 -1.202 1.00 3.92 O ATOM 0 H GLU A 64 -17.934 -4.366 1.472 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.521 -7.297 1.874 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.672 -5.396 -0.462 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.645 -6.806 -0.634 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.431 -8.273 -0.654 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.303 -7.391 0.583 1.00 3.18 H new ATOM 901 N SER A 65 -14.927 -7.227 1.375 1.00 1.71 N ATOM 902 CA SER A 65 -13.453 -7.124 1.562 1.00 1.83 C ATOM 903 C SER A 65 -12.769 -7.065 0.194 1.00 1.49 C ATOM 904 O SER A 65 -13.084 -7.824 -0.701 1.00 1.87 O ATOM 905 CB SER A 65 -12.949 -8.346 2.331 1.00 2.37 C ATOM 906 OG SER A 65 -13.968 -8.797 3.214 1.00 2.91 O ATOM 0 H SER A 65 -15.261 -8.136 1.054 1.00 1.71 H new ATOM 0 HA SER A 65 -13.221 -6.220 2.125 1.00 1.83 H new ATOM 0 HB2 SER A 65 -12.676 -9.140 1.636 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.051 -8.091 2.893 1.00 2.37 H new ATOM 0 HG SER A 65 -13.649 -9.581 3.708 1.00 2.91 H new ATOM 912 N TYR A 66 -11.837 -6.168 0.023 1.00 1.14 N ATOM 913 CA TYR A 66 -11.137 -6.059 -1.286 1.00 1.22 C ATOM 914 C TYR A 66 -9.813 -6.822 -1.222 1.00 1.63 C ATOM 915 O TYR A 66 -9.475 -7.413 -0.216 1.00 2.01 O ATOM 916 CB TYR A 66 -10.863 -4.585 -1.584 1.00 1.29 C ATOM 917 CG TYR A 66 -12.115 -3.942 -2.130 1.00 1.20 C ATOM 918 CD1 TYR A 66 -13.132 -3.539 -1.255 1.00 1.79 C ATOM 919 CD2 TYR A 66 -12.260 -3.748 -3.508 1.00 1.47 C ATOM 920 CE1 TYR A 66 -14.293 -2.944 -1.760 1.00 1.98 C ATOM 921 CE2 TYR A 66 -13.421 -3.152 -4.013 1.00 1.86 C ATOM 922 CZ TYR A 66 -14.438 -2.749 -3.139 1.00 1.87 C ATOM 923 OH TYR A 66 -15.584 -2.162 -3.636 1.00 2.38 O ATOM 0 H TYR A 66 -11.530 -5.505 0.735 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.760 -6.484 -2.073 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.544 -4.072 -0.676 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -10.050 -4.493 -2.304 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -13.020 -3.688 -0.191 1.00 1.79 H new ATOM 0 HD2 TYR A 66 -11.476 -4.058 -4.182 1.00 1.47 H new ATOM 0 HE1 TYR A 66 -15.078 -2.635 -1.086 1.00 1.98 H new ATOM 0 HE2 TYR A 66 -13.533 -3.003 -5.077 1.00 1.86 H new ATOM 0 HH TYR A 66 -15.523 -2.100 -4.612 1.00 2.38 H new ATOM 933 N VAL A 67 -9.060 -6.813 -2.288 1.00 1.69 N ATOM 934 CA VAL A 67 -7.758 -7.539 -2.290 1.00 2.07 C ATOM 935 C VAL A 67 -6.818 -6.903 -3.316 1.00 2.20 C ATOM 936 O VAL A 67 -7.224 -6.537 -4.402 1.00 2.22 O ATOM 937 CB VAL A 67 -7.991 -9.007 -2.655 1.00 2.37 C ATOM 938 CG1 VAL A 67 -7.125 -9.898 -1.763 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.466 -9.359 -2.447 1.00 2.54 C ATOM 0 H VAL A 67 -9.290 -6.334 -3.158 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.309 -7.477 -1.299 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.723 -9.167 -3.699 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.291 -10.944 -2.023 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -6.074 -9.649 -1.911 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -7.392 -9.737 -0.719 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.631 -10.405 -2.707 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.735 -9.198 -1.403 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -10.084 -8.725 -3.083 1.00 2.54 H new ATOM 949 N LEU A 68 -5.563 -6.770 -2.981 1.00 2.36 N ATOM 950 CA LEU A 68 -4.596 -6.158 -3.936 1.00 2.59 C ATOM 951 C LEU A 68 -3.477 -7.158 -4.238 1.00 2.17 C ATOM 952 O LEU A 68 -2.740 -7.559 -3.359 1.00 2.07 O ATOM 953 CB LEU A 68 -3.996 -4.896 -3.312 1.00 3.01 C ATOM 954 CG LEU A 68 -3.648 -3.885 -4.408 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.928 -3.432 -5.112 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.959 -2.672 -3.777 1.00 3.61 C ATOM 0 H LEU A 68 -5.166 -7.059 -2.087 1.00 2.36 H new ATOM 0 HA LEU A 68 -5.111 -5.898 -4.861 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.704 -4.455 -2.611 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -3.102 -5.151 -2.744 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.981 -4.350 -5.133 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -4.679 -2.712 -5.892 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.422 -4.295 -5.559 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -5.596 -2.966 -4.388 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -2.710 -1.950 -4.555 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -3.629 -2.209 -3.053 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -2.047 -2.993 -3.274 1.00 3.61 H new ATOM 968 N SER A 69 -3.340 -7.558 -5.475 1.00 1.98 N ATOM 969 CA SER A 69 -2.263 -8.524 -5.836 1.00 1.66 C ATOM 970 C SER A 69 -1.199 -7.786 -6.647 1.00 1.53 C ATOM 971 O SER A 69 -1.209 -7.793 -7.863 1.00 1.60 O ATOM 972 CB SER A 69 -2.855 -9.664 -6.665 1.00 1.82 C ATOM 973 OG SER A 69 -3.810 -9.139 -7.575 1.00 2.27 O ATOM 0 H SER A 69 -3.929 -7.256 -6.251 1.00 1.98 H new ATOM 0 HA SER A 69 -1.815 -8.942 -4.935 1.00 1.66 H new ATOM 0 HB2 SER A 69 -2.065 -10.181 -7.209 1.00 1.82 H new ATOM 0 HB3 SER A 69 -3.325 -10.398 -6.011 1.00 1.82 H new ATOM 0 HG SER A 69 -4.302 -9.876 -7.994 1.00 2.27 H new ATOM 979 N PHE A 70 -0.294 -7.122 -5.979 1.00 1.38 N ATOM 980 CA PHE A 70 0.756 -6.353 -6.704 1.00 1.30 C ATOM 981 C PHE A 70 2.025 -7.185 -6.893 1.00 1.23 C ATOM 982 O PHE A 70 2.428 -7.931 -6.023 1.00 1.40 O ATOM 983 CB PHE A 70 1.089 -5.078 -5.925 1.00 1.34 C ATOM 984 CG PHE A 70 1.556 -5.433 -4.534 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.624 -5.784 -3.551 1.00 1.96 C ATOM 986 CD2 PHE A 70 2.921 -5.406 -4.227 1.00 1.23 C ATOM 987 CE1 PHE A 70 1.057 -6.109 -2.260 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.355 -5.730 -2.936 1.00 1.35 C ATOM 989 CZ PHE A 70 2.423 -6.081 -1.952 1.00 1.48 C ATOM 0 H PHE A 70 -0.237 -7.080 -4.961 1.00 1.38 H new ATOM 0 HA PHE A 70 0.369 -6.096 -7.690 1.00 1.30 H new ATOM 0 HB2 PHE A 70 1.864 -4.515 -6.446 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.211 -4.435 -5.870 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.429 -5.804 -3.788 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.640 -5.135 -4.986 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.338 -6.381 -1.502 1.00 2.01 H new ATOM 0 HE2 PHE A 70 4.409 -5.709 -2.699 1.00 1.35 H new ATOM 0 HZ PHE A 70 2.757 -6.330 -0.956 1.00 1.48 H new ATOM 999 N THR A 71 2.673 -7.031 -8.016 1.00 1.13 N ATOM 1000 CA THR A 71 3.938 -7.776 -8.265 1.00 1.16 C ATOM 1001 C THR A 71 5.105 -6.937 -7.745 1.00 1.11 C ATOM 1002 O THR A 71 5.206 -5.763 -8.039 1.00 1.39 O ATOM 1003 CB THR A 71 4.117 -7.999 -9.771 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.497 -6.935 -10.479 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.480 -9.326 -10.181 1.00 1.80 C ATOM 0 H THR A 71 2.378 -6.417 -8.775 1.00 1.13 H new ATOM 0 HA THR A 71 3.905 -8.740 -7.758 1.00 1.16 H new ATOM 0 HB THR A 71 5.181 -8.028 -10.007 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.625 -6.097 -9.988 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.611 -9.477 -11.252 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.957 -10.142 -9.638 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.416 -9.307 -9.945 1.00 1.80 H new ATOM 1013 N ALA A 72 5.983 -7.511 -6.972 1.00 0.96 N ATOM 1014 CA ALA A 72 7.125 -6.711 -6.449 1.00 0.87 C ATOM 1015 C ALA A 72 8.147 -7.626 -5.774 1.00 0.81 C ATOM 1016 O ALA A 72 7.803 -8.501 -5.004 1.00 0.85 O ATOM 1017 CB ALA A 72 6.609 -5.691 -5.433 1.00 0.81 C ATOM 0 H ALA A 72 5.961 -8.489 -6.682 1.00 0.96 H new ATOM 0 HA ALA A 72 7.605 -6.195 -7.280 1.00 0.87 H new ATOM 0 HB1 ALA A 72 7.444 -5.105 -5.050 1.00 0.81 H new ATOM 0 HB2 ALA A 72 5.891 -5.028 -5.916 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.123 -6.213 -4.608 1.00 0.81 H new ATOM 1023 N SER A 73 9.405 -7.420 -6.050 1.00 0.75 N ATOM 1024 CA SER A 73 10.456 -8.264 -5.420 1.00 0.72 C ATOM 1025 C SER A 73 11.391 -7.368 -4.607 1.00 0.64 C ATOM 1026 O SER A 73 11.974 -6.433 -5.121 1.00 0.84 O ATOM 1027 CB SER A 73 11.256 -8.985 -6.506 1.00 0.82 C ATOM 1028 OG SER A 73 12.129 -8.060 -7.138 1.00 0.93 O ATOM 0 H SER A 73 9.750 -6.701 -6.686 1.00 0.75 H new ATOM 0 HA SER A 73 9.992 -9.003 -4.767 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.829 -9.803 -6.069 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.581 -9.425 -7.240 1.00 0.82 H new ATOM 0 HG SER A 73 12.184 -7.242 -6.601 1.00 0.93 H new ATOM 1034 N ALA A 74 11.531 -7.640 -3.339 1.00 0.66 N ATOM 1035 CA ALA A 74 12.421 -6.802 -2.488 1.00 0.59 C ATOM 1036 C ALA A 74 13.859 -7.314 -2.591 1.00 0.61 C ATOM 1037 O ALA A 74 14.130 -8.476 -2.366 1.00 0.67 O ATOM 1038 CB ALA A 74 11.955 -6.886 -1.035 1.00 0.59 C ATOM 0 H ALA A 74 11.066 -8.408 -2.855 1.00 0.66 H new ATOM 0 HA ALA A 74 12.380 -5.767 -2.827 1.00 0.59 H new ATOM 0 HB1 ALA A 74 12.604 -6.274 -0.409 1.00 0.59 H new ATOM 0 HB2 ALA A 74 10.930 -6.522 -0.960 1.00 0.59 H new ATOM 0 HB3 ALA A 74 11.998 -7.922 -0.698 1.00 0.59 H new ATOM 1044 N THR A 75 14.782 -6.457 -2.932 1.00 0.62 N ATOM 1045 CA THR A 75 16.197 -6.895 -3.052 1.00 0.72 C ATOM 1046 C THR A 75 17.124 -5.826 -2.453 1.00 0.72 C ATOM 1047 O THR A 75 17.229 -4.739 -2.987 1.00 0.74 O ATOM 1048 CB THR A 75 16.528 -7.067 -4.534 1.00 0.85 C ATOM 1049 OG1 THR A 75 15.727 -6.177 -5.298 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.243 -8.506 -4.963 1.00 0.97 C ATOM 0 H THR A 75 14.615 -5.471 -3.133 1.00 0.62 H new ATOM 0 HA THR A 75 16.339 -7.835 -2.518 1.00 0.72 H new ATOM 0 HB THR A 75 17.583 -6.846 -4.699 1.00 0.85 H new ATOM 0 HG1 THR A 75 15.937 -6.283 -6.249 1.00 0.86 H new ATOM 0 HG21 THR A 75 16.480 -8.624 -6.020 1.00 0.97 H new ATOM 0 HG22 THR A 75 16.856 -9.189 -4.375 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.189 -8.732 -4.800 1.00 0.97 H new ATOM 1058 N PRO A 76 17.806 -6.118 -1.369 1.00 0.77 N ATOM 1059 CA PRO A 76 17.732 -7.429 -0.653 1.00 0.83 C ATOM 1060 C PRO A 76 16.345 -7.690 -0.063 1.00 0.73 C ATOM 1061 O PRO A 76 15.334 -7.369 -0.653 1.00 0.68 O ATOM 1062 CB PRO A 76 18.762 -7.302 0.477 1.00 0.97 C ATOM 1063 CG PRO A 76 19.624 -6.139 0.117 1.00 1.02 C ATOM 1064 CD PRO A 76 18.751 -5.204 -0.712 1.00 0.85 C ATOM 0 HA PRO A 76 17.928 -8.260 -1.331 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.271 -7.142 1.437 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.354 -8.213 0.570 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.993 -5.636 1.011 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.497 -6.462 -0.450 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.236 -4.474 -0.087 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.339 -4.643 -1.438 1.00 0.85 H new ATOM 1072 N ASP A 77 16.291 -8.269 1.102 1.00 0.81 N ATOM 1073 CA ASP A 77 14.970 -8.552 1.735 1.00 0.76 C ATOM 1074 C ASP A 77 14.648 -7.471 2.770 1.00 0.72 C ATOM 1075 O ASP A 77 15.528 -6.887 3.367 1.00 0.78 O ATOM 1076 CB ASP A 77 15.018 -9.918 2.422 1.00 0.91 C ATOM 1077 CG ASP A 77 15.998 -10.829 1.681 1.00 1.09 C ATOM 1078 OD1 ASP A 77 16.168 -10.637 0.488 1.00 1.75 O ATOM 1079 OD2 ASP A 77 16.560 -11.704 2.318 1.00 1.30 O ATOM 0 H ASP A 77 17.104 -8.560 1.645 1.00 0.81 H new ATOM 0 HA ASP A 77 14.196 -8.555 0.967 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.327 -9.803 3.461 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.025 -10.367 2.432 1.00 0.91 H new ATOM 1084 N MET A 78 13.387 -7.209 2.986 1.00 0.75 N ATOM 1085 CA MET A 78 12.987 -6.173 3.983 1.00 0.87 C ATOM 1086 C MET A 78 11.525 -5.785 3.735 1.00 0.89 C ATOM 1087 O MET A 78 10.958 -6.116 2.712 1.00 0.93 O ATOM 1088 CB MET A 78 13.883 -4.938 3.836 1.00 1.01 C ATOM 1089 CG MET A 78 14.841 -4.854 5.026 1.00 1.19 C ATOM 1090 SD MET A 78 16.241 -3.788 4.600 1.00 1.83 S ATOM 1091 CE MET A 78 17.282 -5.060 3.843 1.00 2.16 C ATOM 0 H MET A 78 12.611 -7.671 2.512 1.00 0.75 H new ATOM 0 HA MET A 78 13.097 -6.570 4.992 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.447 -4.995 2.905 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.272 -4.037 3.784 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.321 -4.458 5.898 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.196 -5.850 5.292 1.00 1.19 H new ATOM 0 HE1 MET A 78 18.293 -4.673 3.714 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.309 -5.939 4.487 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.872 -5.335 2.871 1.00 2.16 H new ATOM 1101 N PRO A 79 10.913 -5.097 4.665 1.00 0.96 N ATOM 1102 CA PRO A 79 9.491 -4.669 4.549 1.00 1.04 C ATOM 1103 C PRO A 79 9.328 -3.342 3.801 1.00 1.13 C ATOM 1104 O PRO A 79 10.284 -2.637 3.545 1.00 1.28 O ATOM 1105 CB PRO A 79 9.067 -4.510 6.007 1.00 1.12 C ATOM 1106 CG PRO A 79 10.309 -4.107 6.735 1.00 1.38 C ATOM 1107 CD PRO A 79 11.501 -4.649 5.937 1.00 1.11 C ATOM 0 HA PRO A 79 8.895 -5.383 3.980 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.288 -3.755 6.110 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.663 -5.442 6.403 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.367 -3.022 6.824 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.309 -4.510 7.748 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.256 -3.879 5.777 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.990 -5.471 6.461 1.00 1.11 H new ATOM 1115 N VAL A 80 8.116 -2.996 3.455 1.00 1.13 N ATOM 1116 CA VAL A 80 7.878 -1.714 2.733 1.00 1.31 C ATOM 1117 C VAL A 80 6.644 -1.027 3.324 1.00 1.45 C ATOM 1118 O VAL A 80 5.927 -1.599 4.123 1.00 1.98 O ATOM 1119 CB VAL A 80 7.642 -1.991 1.247 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.660 -3.017 0.747 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.227 -2.537 1.049 1.00 1.79 C ATOM 0 H VAL A 80 7.279 -3.548 3.642 1.00 1.13 H new ATOM 0 HA VAL A 80 8.750 -1.069 2.843 1.00 1.31 H new ATOM 0 HB VAL A 80 7.757 -1.065 0.684 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.490 -3.212 -0.312 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.668 -2.627 0.886 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.549 -3.944 1.310 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.058 -2.735 -0.010 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.112 -3.462 1.614 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.501 -1.804 1.402 1.00 1.79 H new ATOM 1131 N ARG A 81 6.392 0.195 2.938 1.00 1.48 N ATOM 1132 CA ARG A 81 5.207 0.918 3.479 1.00 1.84 C ATOM 1133 C ARG A 81 4.227 1.227 2.345 1.00 2.04 C ATOM 1134 O ARG A 81 4.452 2.108 1.540 1.00 2.57 O ATOM 1135 CB ARG A 81 5.663 2.225 4.131 1.00 2.24 C ATOM 1136 CG ARG A 81 5.056 2.335 5.535 1.00 2.95 C ATOM 1137 CD ARG A 81 5.890 1.524 6.530 1.00 4.04 C ATOM 1138 NE ARG A 81 6.387 2.409 7.628 1.00 4.81 N ATOM 1139 CZ ARG A 81 6.932 3.570 7.371 1.00 5.14 C ATOM 1140 NH1 ARG A 81 7.125 3.954 6.140 1.00 4.94 N ATOM 1141 NH2 ARG A 81 7.304 4.342 8.355 1.00 6.01 N ATOM 0 H ARG A 81 6.956 0.723 2.272 1.00 1.48 H new ATOM 0 HA ARG A 81 4.711 0.293 4.221 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.751 2.254 4.190 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.354 3.075 3.522 1.00 2.24 H new ATOM 0 HG2 ARG A 81 5.020 3.380 5.844 1.00 2.95 H new ATOM 0 HG3 ARG A 81 4.029 1.970 5.526 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.288 0.717 6.948 1.00 4.04 H new ATOM 0 HD3 ARG A 81 6.733 1.060 6.017 1.00 4.04 H new ATOM 0 HE ARG A 81 6.299 2.101 8.597 1.00 4.81 H new ATOM 0 HH11 ARG A 81 6.850 3.347 5.367 1.00 4.94 H new ATOM 0 HH12 ARG A 81 7.551 4.861 5.950 1.00 4.94 H new ATOM 0 HH21 ARG A 81 7.169 4.039 9.320 1.00 6.01 H new ATOM 0 HH22 ARG A 81 7.729 5.248 8.159 1.00 6.01 H new ATOM 1155 N VAL A 82 3.137 0.511 2.279 1.00 2.00 N ATOM 1156 CA VAL A 82 2.141 0.763 1.204 1.00 2.41 C ATOM 1157 C VAL A 82 0.874 1.361 1.821 1.00 1.99 C ATOM 1158 O VAL A 82 0.630 1.230 3.005 1.00 1.85 O ATOM 1159 CB VAL A 82 1.800 -0.557 0.512 1.00 3.05 C ATOM 1160 CG1 VAL A 82 2.688 -0.734 -0.722 1.00 3.76 C ATOM 1161 CG2 VAL A 82 2.042 -1.715 1.482 1.00 3.57 C ATOM 0 H VAL A 82 2.895 -0.239 2.926 1.00 2.00 H new ATOM 0 HA VAL A 82 2.554 1.459 0.474 1.00 2.41 H new ATOM 0 HB VAL A 82 0.754 -0.547 0.207 1.00 3.05 H new ATOM 0 HG11 VAL A 82 2.444 -1.675 -1.214 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.519 0.091 -1.413 1.00 3.76 H new ATOM 0 HG13 VAL A 82 3.735 -0.744 -0.418 1.00 3.76 H new ATOM 0 HG21 VAL A 82 1.800 -2.658 0.991 1.00 3.57 H new ATOM 0 HG22 VAL A 82 3.089 -1.723 1.786 1.00 3.57 H new ATOM 0 HG23 VAL A 82 1.410 -1.591 2.361 1.00 3.57 H new ATOM 1171 N LEU A 83 0.065 2.019 1.035 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.181 2.622 1.590 1.00 1.82 C ATOM 1173 C LEU A 83 -2.200 2.835 0.467 1.00 1.64 C ATOM 1174 O LEU A 83 -1.844 3.066 -0.672 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.850 3.969 2.237 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.117 4.854 1.227 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -0.552 6.309 1.414 1.00 1.99 C ATOM 1178 CD2 LEU A 83 1.392 4.742 1.453 1.00 1.42 C ATOM 0 H LEU A 83 0.212 2.165 0.036 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.603 1.950 2.337 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.765 4.459 2.569 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -0.230 3.817 3.121 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.359 4.529 0.215 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.030 6.940 0.695 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -1.627 6.391 1.255 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -0.309 6.634 2.426 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.915 5.372 0.734 1.00 1.42 H new ATOM 0 HD22 LEU A 83 1.634 5.068 2.465 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.704 3.706 1.322 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.466 2.763 0.780 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.507 2.963 -0.270 1.00 1.53 C ATOM 1192 C VAL A 84 -5.759 3.583 0.356 1.00 1.46 C ATOM 1193 O VAL A 84 -6.009 3.443 1.536 1.00 1.51 O ATOM 1194 CB VAL A 84 -4.874 1.618 -0.900 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.296 1.832 -2.353 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.663 0.681 -0.859 1.00 1.84 C ATOM 0 H VAL A 84 -3.824 2.575 1.716 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.113 3.629 -1.038 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.697 1.173 -0.341 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.557 0.873 -2.801 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.160 2.496 -2.387 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.472 2.280 -2.909 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -3.928 -0.276 -1.308 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -2.839 1.127 -1.415 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.359 0.524 0.176 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.549 4.264 -0.430 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.788 4.890 0.113 1.00 1.49 C ATOM 1208 C GLY A 85 -8.032 6.231 -0.583 1.00 1.17 C ATOM 1209 O GLY A 85 -7.953 6.337 -1.790 1.00 1.15 O ATOM 0 H GLY A 85 -6.389 4.414 -1.426 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.640 4.228 -0.042 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.691 5.039 1.188 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.327 7.258 0.168 1.00 1.14 N ATOM 1214 CA GLU A 86 -8.577 8.588 -0.456 1.00 1.19 C ATOM 1215 C GLU A 86 -7.258 9.361 -0.551 1.00 1.21 C ATOM 1216 O GLU A 86 -6.214 8.875 -0.168 1.00 1.63 O ATOM 1217 CB GLU A 86 -9.577 9.377 0.397 1.00 1.44 C ATOM 1218 CG GLU A 86 -8.830 10.210 1.441 1.00 1.42 C ATOM 1219 CD GLU A 86 -7.839 9.319 2.194 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -8.080 8.126 2.262 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -6.857 9.846 2.689 1.00 2.54 O ATOM 0 H GLU A 86 -8.405 7.233 1.185 1.00 1.14 H new ATOM 0 HA GLU A 86 -8.989 8.449 -1.455 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -10.176 10.028 -0.239 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -10.266 8.692 0.891 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -8.301 11.031 0.956 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -9.538 10.656 2.140 1.00 1.42 H new ATOM 1228 N GLY A 87 -7.300 10.562 -1.060 1.00 1.18 N ATOM 1229 CA GLY A 87 -6.050 11.364 -1.179 1.00 1.38 C ATOM 1230 C GLY A 87 -6.401 12.808 -1.543 1.00 1.20 C ATOM 1231 O GLY A 87 -5.666 13.479 -2.240 1.00 1.26 O ATOM 0 H GLY A 87 -8.145 11.022 -1.398 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -5.499 11.339 -0.239 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -5.401 10.933 -1.941 1.00 1.38 H new ATOM 1280 N ARG A 92 -10.332 9.605 5.360 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.285 8.726 5.960 1.00 2.12 C ATOM 1282 C ARG A 92 -9.158 7.434 5.149 1.00 1.84 C ATOM 1283 O ARG A 92 -10.099 6.985 4.526 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.672 8.386 7.400 1.00 2.02 C ATOM 1285 CG ARG A 92 -11.196 8.299 7.514 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.570 7.327 8.635 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.083 7.862 9.938 1.00 4.00 N ATOM 1288 CZ ARG A 92 -11.535 7.365 11.056 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.414 6.400 11.035 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -11.110 7.834 12.197 1.00 5.74 N ATOM 0 HA ARG A 92 -8.329 9.250 5.949 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.220 7.439 7.695 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -9.289 9.147 8.080 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -11.613 9.285 7.719 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.623 7.963 6.569 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -12.651 7.190 8.667 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -11.130 6.348 8.444 1.00 3.19 H new ATOM 0 HE ARG A 92 -10.397 8.616 9.955 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -12.748 6.034 10.144 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -12.767 6.012 11.910 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -10.424 8.589 12.214 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -11.463 7.446 13.071 1.00 5.74 H new ATOM 1304 N THR A 93 -7.999 6.835 5.151 1.00 1.67 N ATOM 1305 CA THR A 93 -7.811 5.579 4.374 1.00 1.74 C ATOM 1306 C THR A 93 -7.914 4.368 5.301 1.00 1.95 C ATOM 1307 O THR A 93 -7.770 4.474 6.503 1.00 2.27 O ATOM 1308 CB THR A 93 -6.430 5.581 3.716 1.00 1.70 C ATOM 1309 OG1 THR A 93 -5.961 4.245 3.605 1.00 2.15 O ATOM 1310 CG2 THR A 93 -5.453 6.394 4.567 1.00 1.74 C ATOM 0 H THR A 93 -7.175 7.161 5.657 1.00 1.67 H new ATOM 0 HA THR A 93 -8.587 5.521 3.610 1.00 1.74 H new ATOM 0 HB THR A 93 -6.502 6.029 2.725 1.00 1.70 H new ATOM 0 HG1 THR A 93 -5.800 4.032 2.662 1.00 2.15 H new ATOM 0 HG21 THR A 93 -4.471 6.393 4.095 1.00 1.74 H new ATOM 0 HG22 THR A 93 -5.812 7.419 4.654 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.379 5.950 5.560 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.151 3.216 4.741 1.00 2.15 N ATOM 1319 CA ALA A 94 -8.253 1.986 5.569 1.00 2.71 C ATOM 1320 C ALA A 94 -7.176 0.999 5.117 1.00 2.70 C ATOM 1321 O ALA A 94 -6.878 0.033 5.791 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.635 1.356 5.385 1.00 3.28 C ATOM 0 H ALA A 94 -8.279 3.074 3.739 1.00 2.15 H new ATOM 0 HA ALA A 94 -8.112 2.234 6.621 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.708 0.454 5.993 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.402 2.065 5.695 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.781 1.099 4.336 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.586 1.241 3.976 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.526 0.324 3.476 1.00 2.32 C ATOM 1330 C PHE A 95 -4.169 0.812 3.983 1.00 1.89 C ATOM 1331 O PHE A 95 -3.171 0.729 3.295 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.527 0.349 1.949 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.093 -0.993 1.407 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.131 -1.752 2.086 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.652 -1.476 0.218 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -3.731 -2.993 1.575 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.252 -2.715 -0.293 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.291 -3.474 0.385 1.00 3.60 C ATOM 0 H PHE A 95 -6.794 2.035 3.370 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.712 -0.690 3.830 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.524 0.593 1.582 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.856 1.129 1.590 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.698 -1.380 3.003 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.393 -0.891 -0.306 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -2.990 -3.579 2.099 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -5.684 -3.086 -1.210 1.00 3.65 H new ATOM 0 HZ PHE A 95 -3.981 -4.430 -0.010 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.124 1.331 5.177 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.831 1.833 5.719 1.00 2.11 C ATOM 1350 C GLU A 96 -2.009 0.660 6.256 1.00 1.99 C ATOM 1351 O GLU A 96 -1.834 0.509 7.449 1.00 2.04 O ATOM 1352 CB GLU A 96 -3.102 2.828 6.849 1.00 2.46 C ATOM 1353 CG GLU A 96 -1.774 3.362 7.390 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.932 4.835 7.768 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -2.408 5.592 6.939 1.00 4.04 O ATOM 1356 OE2 GLU A 96 -1.576 5.182 8.883 1.00 4.60 O ATOM 0 H GLU A 96 -4.925 1.429 5.801 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.275 2.330 4.924 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.715 3.652 6.483 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.663 2.343 7.648 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -1.465 2.783 8.261 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -0.992 3.250 6.639 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.498 -0.168 5.387 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.684 -1.324 5.848 1.00 2.35 C ATOM 1365 C GLN A 97 0.799 -0.977 5.695 1.00 2.76 C ATOM 1366 O GLN A 97 1.308 -0.856 4.598 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.037 -2.555 5.004 1.00 2.59 C ATOM 1368 CG GLN A 97 0.224 -3.364 4.695 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.167 -4.777 4.259 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.141 -4.960 3.556 1.00 2.75 O ATOM 1371 NE2 GLN A 97 0.556 -5.791 4.649 1.00 3.46 N ATOM 0 H GLN A 97 -1.610 -0.092 4.376 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.893 -1.544 6.895 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.755 -3.177 5.538 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.514 -2.243 4.075 1.00 2.59 H new ATOM 0 HG2 GLN A 97 0.798 -2.875 3.908 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.865 -3.408 5.576 1.00 2.67 H new ATOM 0 HE21 GLN A 97 1.374 -5.637 5.239 1.00 3.46 H new ATOM 0 HE22 GLN A 97 0.303 -6.737 4.364 1.00 3.46 H new ATOM 1380 N GLY A 98 1.494 -0.808 6.786 1.00 2.66 N ATOM 1381 CA GLY A 98 2.941 -0.461 6.698 1.00 3.12 C ATOM 1382 C GLY A 98 3.788 -1.700 6.997 1.00 2.94 C ATOM 1383 O GLY A 98 4.979 -1.608 7.219 1.00 3.67 O ATOM 0 H GLY A 98 1.124 -0.895 7.733 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.174 -0.081 5.703 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.178 0.333 7.406 1.00 3.12 H new ATOM 1387 N SER A 99 3.187 -2.857 7.007 1.00 2.31 N ATOM 1388 CA SER A 99 3.960 -4.094 7.295 1.00 2.54 C ATOM 1389 C SER A 99 3.891 -5.040 6.095 1.00 2.05 C ATOM 1390 O SER A 99 3.303 -6.101 6.164 1.00 1.87 O ATOM 1391 CB SER A 99 3.360 -4.783 8.521 1.00 3.04 C ATOM 1392 OG SER A 99 4.007 -4.305 9.693 1.00 3.79 O ATOM 0 H SER A 99 2.193 -2.998 6.828 1.00 2.31 H new ATOM 0 HA SER A 99 5.002 -3.836 7.487 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.290 -4.585 8.576 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.480 -5.863 8.440 1.00 3.04 H new ATOM 0 HG SER A 99 3.623 -4.744 10.481 1.00 3.79 H new ATOM 1398 N ALA A 100 4.489 -4.671 4.994 1.00 1.96 N ATOM 1399 CA ALA A 100 4.455 -5.560 3.799 1.00 1.63 C ATOM 1400 C ALA A 100 5.838 -6.190 3.597 1.00 1.41 C ATOM 1401 O ALA A 100 6.736 -5.565 3.066 1.00 1.39 O ATOM 1402 CB ALA A 100 4.080 -4.739 2.563 1.00 1.76 C ATOM 0 H ALA A 100 4.998 -3.795 4.871 1.00 1.96 H new ATOM 0 HA ALA A 100 3.715 -6.346 3.948 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.055 -5.389 1.688 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.098 -4.289 2.709 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.820 -3.953 2.410 1.00 1.76 H new ATOM 1408 N PRO A 101 6.012 -7.415 4.023 1.00 1.67 N ATOM 1409 CA PRO A 101 7.311 -8.134 3.892 1.00 1.70 C ATOM 1410 C PRO A 101 7.530 -8.706 2.489 1.00 1.06 C ATOM 1411 O PRO A 101 6.641 -9.287 1.898 1.00 1.45 O ATOM 1412 CB PRO A 101 7.196 -9.263 4.917 1.00 2.69 C ATOM 1413 CG PRO A 101 5.735 -9.543 5.040 1.00 2.97 C ATOM 1414 CD PRO A 101 4.993 -8.252 4.676 1.00 2.35 C ATOM 0 HA PRO A 101 8.159 -7.470 4.059 1.00 1.70 H new ATOM 0 HB2 PRO A 101 7.739 -10.149 4.588 1.00 2.69 H new ATOM 0 HB3 PRO A 101 7.621 -8.967 5.876 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.442 -10.356 4.375 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.487 -9.856 6.054 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.155 -8.450 4.008 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.586 -7.764 5.562 1.00 2.35 H new ATOM 1422 N LEU A 102 8.711 -8.550 1.954 1.00 0.99 N ATOM 1423 CA LEU A 102 8.991 -9.087 0.593 1.00 1.10 C ATOM 1424 C LEU A 102 10.417 -9.641 0.552 1.00 0.93 C ATOM 1425 O LEU A 102 11.356 -8.993 0.968 1.00 1.33 O ATOM 1426 CB LEU A 102 8.846 -7.968 -0.440 1.00 2.00 C ATOM 1427 CG LEU A 102 7.379 -7.549 -0.535 1.00 2.39 C ATOM 1428 CD1 LEU A 102 7.253 -6.342 -1.466 1.00 3.06 C ATOM 1429 CD2 LEU A 102 6.554 -8.710 -1.093 1.00 2.31 C ATOM 0 H LEU A 102 9.494 -8.073 2.402 1.00 0.99 H new ATOM 0 HA LEU A 102 8.283 -9.883 0.362 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.461 -7.114 -0.156 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.202 -8.308 -1.413 1.00 2.00 H new ATOM 0 HG LEU A 102 7.011 -7.284 0.456 1.00 2.39 H new ATOM 0 HD11 LEU A 102 6.207 -6.043 -1.534 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.842 -5.515 -1.071 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.620 -6.607 -2.458 1.00 3.06 H new ATOM 0 HD21 LEU A 102 5.508 -8.413 -1.161 1.00 2.31 H new ATOM 0 HD22 LEU A 102 6.922 -8.974 -2.084 1.00 2.31 H new ATOM 0 HD23 LEU A 102 6.644 -9.571 -0.431 1.00 2.31 H new ATOM 1441 N THR A 103 10.586 -10.835 0.054 1.00 1.21 N ATOM 1442 CA THR A 103 11.951 -11.428 -0.010 1.00 1.09 C ATOM 1443 C THR A 103 12.583 -11.109 -1.366 1.00 1.38 C ATOM 1444 O THR A 103 12.113 -10.259 -2.096 1.00 1.81 O ATOM 1445 CB THR A 103 11.859 -12.945 0.166 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.162 -13.505 0.121 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.006 -13.539 -0.957 1.00 2.34 C ATOM 0 H THR A 103 9.838 -11.425 -0.311 1.00 1.21 H new ATOM 0 HA THR A 103 12.566 -11.008 0.786 1.00 1.09 H new ATOM 0 HB THR A 103 11.399 -13.173 1.128 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.105 -14.477 0.235 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.941 -14.620 -0.831 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.005 -13.108 -0.921 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.464 -13.313 -1.920 1.00 2.34 H new ATOM 1455 N GLY A 104 13.647 -11.783 -1.708 1.00 1.62 N ATOM 1456 CA GLY A 104 14.308 -11.518 -3.017 1.00 2.17 C ATOM 1457 C GLY A 104 13.705 -12.429 -4.087 1.00 1.60 C ATOM 1458 O GLY A 104 14.380 -12.863 -4.999 1.00 1.83 O ATOM 0 H GLY A 104 14.087 -12.505 -1.138 1.00 1.62 H new ATOM 0 HA2 GLY A 104 14.176 -10.473 -3.298 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.381 -11.694 -2.937 1.00 2.17 H new ATOM 1462 N GLU A 105 12.437 -12.722 -3.984 1.00 1.22 N ATOM 1463 CA GLU A 105 11.794 -13.605 -4.997 1.00 1.09 C ATOM 1464 C GLU A 105 10.631 -12.858 -5.660 1.00 1.06 C ATOM 1465 O GLU A 105 9.874 -12.173 -5.000 1.00 1.08 O ATOM 1466 CB GLU A 105 11.261 -14.864 -4.308 1.00 1.40 C ATOM 1467 CG GLU A 105 9.869 -14.585 -3.736 1.00 1.95 C ATOM 1468 CD GLU A 105 9.507 -15.670 -2.720 1.00 2.43 C ATOM 1469 OE1 GLU A 105 10.104 -16.732 -2.778 1.00 3.02 O ATOM 1470 OE2 GLU A 105 8.638 -15.419 -1.900 1.00 2.75 O ATOM 0 H GLU A 105 11.820 -12.389 -3.243 1.00 1.22 H new ATOM 0 HA GLU A 105 12.527 -13.885 -5.754 1.00 1.09 H new ATOM 0 HB2 GLU A 105 11.214 -15.688 -5.020 1.00 1.40 H new ATOM 0 HB3 GLU A 105 11.939 -15.169 -3.511 1.00 1.40 H new ATOM 0 HG2 GLU A 105 9.850 -13.605 -3.259 1.00 1.95 H new ATOM 0 HG3 GLU A 105 9.132 -14.563 -4.539 1.00 1.95 H new ATOM 1477 N PRO A 106 10.485 -12.989 -6.953 1.00 1.08 N ATOM 1478 CA PRO A 106 9.392 -12.315 -7.710 1.00 1.12 C ATOM 1479 C PRO A 106 8.038 -12.996 -7.494 1.00 1.24 C ATOM 1480 O PRO A 106 7.865 -14.163 -7.788 1.00 1.42 O ATOM 1481 CB PRO A 106 9.827 -12.445 -9.169 1.00 1.26 C ATOM 1482 CG PRO A 106 10.686 -13.665 -9.215 1.00 1.20 C ATOM 1483 CD PRO A 106 11.346 -13.791 -7.840 1.00 1.13 C ATOM 0 HA PRO A 106 9.252 -11.283 -7.389 1.00 1.12 H new ATOM 0 HB2 PRO A 106 8.965 -12.545 -9.829 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.378 -11.563 -9.496 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.090 -14.549 -9.441 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.438 -13.579 -9.999 1.00 1.20 H new ATOM 0 HD2 PRO A 106 11.395 -14.830 -7.515 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.368 -13.413 -7.852 1.00 1.13 H new ATOM 1491 N ALA A 107 7.074 -12.279 -6.983 1.00 1.17 N ATOM 1492 CA ALA A 107 5.735 -12.892 -6.752 1.00 1.31 C ATOM 1493 C ALA A 107 4.734 -11.801 -6.363 1.00 1.24 C ATOM 1494 O ALA A 107 5.106 -10.724 -5.942 1.00 1.04 O ATOM 1495 CB ALA A 107 5.833 -13.919 -5.623 1.00 1.37 C ATOM 0 H ALA A 107 7.155 -11.298 -6.716 1.00 1.17 H new ATOM 0 HA ALA A 107 5.399 -13.385 -7.664 1.00 1.31 H new ATOM 0 HB1 ALA A 107 4.854 -14.368 -5.453 1.00 1.37 H new ATOM 0 HB2 ALA A 107 6.546 -14.696 -5.899 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.169 -13.426 -4.711 1.00 1.37 H new ATOM 1501 N THR A 108 3.465 -12.074 -6.504 1.00 1.45 N ATOM 1502 CA THR A 108 2.439 -11.056 -6.143 1.00 1.43 C ATOM 1503 C THR A 108 2.029 -11.234 -4.681 1.00 1.38 C ATOM 1504 O THR A 108 2.005 -12.333 -4.163 1.00 1.47 O ATOM 1505 CB THR A 108 1.197 -11.247 -7.021 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.074 -12.619 -7.366 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.306 -10.411 -8.298 1.00 1.66 C ATOM 0 H THR A 108 3.095 -12.958 -6.854 1.00 1.45 H new ATOM 0 HA THR A 108 2.858 -10.061 -6.295 1.00 1.43 H new ATOM 0 HB THR A 108 0.319 -10.921 -6.463 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.280 -12.746 -7.926 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.415 -10.560 -8.908 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.394 -9.357 -8.036 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.187 -10.720 -8.861 1.00 1.66 H new ATOM 1515 N ARG A 109 1.667 -10.169 -4.021 1.00 1.33 N ATOM 1516 CA ARG A 109 1.216 -10.296 -2.609 1.00 1.32 C ATOM 1517 C ARG A 109 -0.257 -9.913 -2.556 1.00 1.37 C ATOM 1518 O ARG A 109 -0.676 -8.953 -3.170 1.00 1.49 O ATOM 1519 CB ARG A 109 2.006 -9.368 -1.693 1.00 1.27 C ATOM 1520 CG ARG A 109 3.226 -10.106 -1.136 1.00 1.97 C ATOM 1521 CD ARG A 109 4.175 -10.473 -2.279 1.00 2.63 C ATOM 1522 NE ARG A 109 4.381 -9.291 -3.159 1.00 3.48 N ATOM 1523 CZ ARG A 109 5.388 -9.265 -3.988 1.00 3.74 C ATOM 1524 NH1 ARG A 109 6.226 -10.265 -4.027 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.561 -8.238 -4.774 1.00 4.70 N ATOM 0 H ARG A 109 1.664 -9.221 -4.397 1.00 1.33 H new ATOM 0 HA ARG A 109 1.374 -11.320 -2.270 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.325 -8.483 -2.244 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.373 -9.024 -0.875 1.00 1.27 H new ATOM 0 HG2 ARG A 109 3.742 -9.478 -0.410 1.00 1.97 H new ATOM 0 HG3 ARG A 109 2.909 -11.007 -0.610 1.00 1.97 H new ATOM 0 HD2 ARG A 109 5.130 -10.810 -1.877 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.762 -11.300 -2.856 1.00 2.63 H new ATOM 0 HE ARG A 109 3.736 -8.502 -3.114 1.00 3.48 H new ATOM 0 HH11 ARG A 109 6.093 -11.066 -3.410 1.00 3.39 H new ATOM 0 HH12 ARG A 109 7.014 -10.245 -4.675 1.00 3.39 H new ATOM 0 HH21 ARG A 109 4.909 -7.455 -4.741 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.349 -8.219 -5.422 1.00 4.70 H new ATOM 1539 N GLU A 110 -1.043 -10.663 -1.844 1.00 1.37 N ATOM 1540 CA GLU A 110 -2.499 -10.358 -1.778 1.00 1.51 C ATOM 1541 C GLU A 110 -2.901 -9.944 -0.362 1.00 1.50 C ATOM 1542 O GLU A 110 -2.979 -10.759 0.536 1.00 1.45 O ATOM 1543 CB GLU A 110 -3.291 -11.604 -2.178 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.701 -12.194 -3.461 1.00 2.12 C ATOM 1545 CD GLU A 110 -1.530 -13.114 -3.108 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -1.409 -13.468 -1.948 1.00 2.69 O ATOM 1547 OE2 GLU A 110 -0.775 -13.449 -4.007 1.00 3.28 O ATOM 0 H GLU A 110 -0.743 -11.475 -1.304 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.716 -9.535 -2.460 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -3.257 -12.342 -1.377 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -4.339 -11.348 -2.331 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -3.465 -12.752 -4.002 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -2.363 -11.394 -4.120 1.00 2.12 H new ATOM 1554 N TYR A 111 -3.187 -8.687 -0.162 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.618 -8.230 1.186 1.00 1.81 C ATOM 1556 C TYR A 111 -5.102 -7.866 1.120 1.00 2.14 C ATOM 1557 O TYR A 111 -5.496 -6.955 0.418 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.815 -6.999 1.622 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.332 -7.218 1.421 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -0.759 -8.486 1.602 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.521 -6.133 1.063 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.618 -8.664 1.420 1.00 2.00 C ATOM 1563 CE2 TYR A 111 0.856 -6.313 0.884 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.425 -7.578 1.062 1.00 2.36 C ATOM 1565 OH TYR A 111 2.782 -7.755 0.887 1.00 2.67 O ATOM 0 H TYR A 111 -3.140 -7.958 -0.874 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.448 -9.028 1.909 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -3.138 -6.129 1.051 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.015 -6.783 2.672 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.380 -9.324 1.882 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.959 -5.156 0.925 1.00 2.76 H new ATOM 0 HE1 TYR A 111 1.058 -9.641 1.556 1.00 2.00 H new ATOM 0 HE2 TYR A 111 1.479 -5.475 0.608 1.00 2.96 H new ATOM 0 HH TYR A 111 3.096 -8.477 1.470 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.928 -8.577 1.837 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.386 -8.279 1.805 1.00 2.71 C ATOM 1577 C ALA A 112 -7.780 -7.495 3.058 1.00 2.50 C ATOM 1578 O ALA A 112 -7.278 -7.736 4.138 1.00 2.65 O ATOM 1579 CB ALA A 112 -8.174 -9.588 1.754 1.00 3.41 C ATOM 0 H ALA A 112 -5.656 -9.351 2.443 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.612 -7.683 0.921 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -9.242 -9.369 1.731 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.898 -10.144 0.858 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.945 -10.185 2.637 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.677 -6.557 2.922 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.108 -5.759 4.103 1.00 2.20 C ATOM 1587 C PHE A 113 -10.636 -5.720 4.160 1.00 1.67 C ATOM 1588 O PHE A 113 -11.309 -6.026 3.198 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.567 -4.334 3.985 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.440 -3.961 2.528 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -7.519 -4.629 1.712 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.244 -2.948 1.992 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -7.402 -4.284 0.360 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.126 -2.602 0.640 1.00 2.77 C ATOM 1595 CZ PHE A 113 -8.206 -3.270 -0.176 1.00 2.64 C ATOM 0 H PHE A 113 -9.130 -6.309 2.042 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.720 -6.219 5.012 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.234 -3.637 4.493 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.597 -4.261 4.476 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -6.899 -5.410 2.125 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.955 -2.433 2.621 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -6.692 -4.800 -0.269 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -9.745 -1.819 0.227 1.00 2.77 H new ATOM 0 HZ PHE A 113 -8.116 -3.004 -1.219 1.00 2.64 H new ATOM 1605 N THR A 114 -11.187 -5.348 5.282 1.00 1.53 N ATOM 1606 CA THR A 114 -12.671 -5.292 5.400 1.00 1.47 C ATOM 1607 C THR A 114 -13.159 -3.868 5.128 1.00 1.85 C ATOM 1608 O THR A 114 -12.957 -2.969 5.921 1.00 2.23 O ATOM 1609 CB THR A 114 -13.085 -5.712 6.811 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.054 -5.372 7.726 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.324 -7.222 6.846 1.00 2.22 C ATOM 0 H THR A 114 -10.674 -5.080 6.122 1.00 1.53 H new ATOM 0 HA THR A 114 -13.116 -5.969 4.671 1.00 1.47 H new ATOM 0 HB THR A 114 -14.003 -5.195 7.090 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.319 -5.639 8.631 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.619 -7.520 7.852 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.116 -7.481 6.144 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.407 -7.742 6.567 1.00 2.22 H new ATOM 1619 N SER A 115 -13.806 -3.657 4.015 1.00 2.24 N ATOM 1620 CA SER A 115 -14.313 -2.295 3.694 1.00 2.93 C ATOM 1621 C SER A 115 -15.218 -1.814 4.831 1.00 3.67 C ATOM 1622 O SER A 115 -16.337 -2.263 4.978 1.00 4.11 O ATOM 1623 CB SER A 115 -15.111 -2.346 2.390 1.00 3.21 C ATOM 1624 OG SER A 115 -14.412 -3.146 1.446 1.00 4.06 O ATOM 0 H SER A 115 -14.005 -4.370 3.314 1.00 2.24 H new ATOM 0 HA SER A 115 -13.475 -1.607 3.579 1.00 2.93 H new ATOM 0 HB2 SER A 115 -16.103 -2.760 2.572 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.253 -1.339 1.997 1.00 3.21 H new ATOM 0 HG SER A 115 -14.819 -4.036 1.407 1.00 4.06 H new ATOM 1630 N ASN A 116 -14.741 -0.907 5.639 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.575 -0.404 6.767 1.00 4.70 C ATOM 1632 C ASN A 116 -16.016 1.032 6.479 1.00 4.40 C ATOM 1633 O ASN A 116 -16.851 1.585 7.166 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.757 -0.435 8.060 1.00 5.27 C ATOM 1635 CG ASN A 116 -13.275 -0.236 7.732 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.939 0.490 6.702 1.00 6.51 O flip ATOM 1637 ND2 ASN A 116 -12.416 -0.748 8.421 1.00 6.86 N flip ATOM 0 H ASN A 116 -13.811 -0.493 5.567 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.455 -1.038 6.876 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -15.099 0.347 8.738 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.902 -1.386 8.572 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.679 -1.316 9.226 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -11.431 -0.610 8.194 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.461 1.643 5.469 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.850 3.044 5.141 1.00 3.59 C ATOM 1646 C LEU A 117 -16.026 3.185 3.628 1.00 3.13 C ATOM 1647 O LEU A 117 -15.146 2.857 2.857 1.00 3.28 O ATOM 1648 CB LEU A 117 -14.756 4.001 5.619 1.00 3.83 C ATOM 1649 CG LEU A 117 -15.272 4.817 6.806 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -16.449 5.684 6.358 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -15.733 3.866 7.914 1.00 4.76 C ATOM 0 H LEU A 117 -14.755 1.233 4.857 1.00 3.81 H new ATOM 0 HA LEU A 117 -16.789 3.286 5.639 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.868 3.439 5.909 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -14.461 4.667 4.808 1.00 3.83 H new ATOM 0 HG LEU A 117 -14.473 5.456 7.182 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -16.816 6.265 7.204 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -16.123 6.360 5.568 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -17.249 5.046 5.982 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -16.101 4.445 8.761 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -16.532 3.228 7.536 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -14.895 3.247 8.235 1.00 4.76 H new ATOM 1663 N THR A 118 -17.156 3.675 3.196 1.00 3.12 N ATOM 1664 CA THR A 118 -17.385 3.840 1.734 1.00 3.08 C ATOM 1665 C THR A 118 -16.337 4.795 1.161 1.00 3.13 C ATOM 1666 O THR A 118 -16.263 5.948 1.535 1.00 3.70 O ATOM 1667 CB THR A 118 -18.784 4.418 1.504 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.144 5.232 2.611 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.792 3.277 1.357 1.00 4.04 C ATOM 0 H THR A 118 -17.930 3.968 3.793 1.00 3.12 H new ATOM 0 HA THR A 118 -17.304 2.873 1.238 1.00 3.08 H new ATOM 0 HB THR A 118 -18.785 5.019 0.594 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.039 5.605 2.466 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.787 3.690 1.193 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.514 2.653 0.508 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.794 2.674 2.265 1.00 4.04 H new ATOM 1677 N PHE A 119 -15.521 4.322 0.259 1.00 2.76 N ATOM 1678 CA PHE A 119 -14.476 5.205 -0.333 1.00 3.07 C ATOM 1679 C PHE A 119 -14.672 5.287 -1.849 1.00 2.72 C ATOM 1680 O PHE A 119 -13.856 4.816 -2.615 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.091 4.628 -0.029 1.00 3.53 C ATOM 1682 CG PHE A 119 -12.775 4.829 1.434 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -12.566 6.119 1.933 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -12.693 3.724 2.290 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -12.273 6.306 3.289 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -12.401 3.912 3.646 1.00 5.33 C ATOM 1687 CZ PHE A 119 -12.190 5.202 4.146 1.00 5.44 C ATOM 0 H PHE A 119 -15.532 3.365 -0.093 1.00 2.76 H new ATOM 0 HA PHE A 119 -14.558 6.203 0.097 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.065 3.567 -0.276 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -12.337 5.117 -0.646 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -12.631 6.971 1.272 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -12.855 2.728 1.905 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -12.111 7.302 3.674 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -12.338 3.060 4.307 1.00 5.33 H new ATOM 0 HZ PHE A 119 -11.963 5.346 5.192 1.00 5.44 H new ATOM 1697 N PRO A 120 -15.752 5.884 -2.272 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.075 6.038 -3.719 1.00 2.86 C ATOM 1699 C PRO A 120 -15.135 7.025 -4.419 1.00 3.02 C ATOM 1700 O PRO A 120 -14.412 7.764 -3.781 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.510 6.571 -3.725 1.00 3.40 C ATOM 1702 CG PRO A 120 -17.709 7.208 -2.389 1.00 4.04 C ATOM 1703 CD PRO A 120 -16.787 6.479 -1.412 1.00 3.80 C ATOM 0 HA PRO A 120 -15.962 5.098 -4.258 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.656 7.293 -4.529 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.226 5.765 -3.885 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -17.469 8.271 -2.428 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -18.749 7.127 -2.073 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -16.354 7.166 -0.684 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.325 5.716 -0.850 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.150 7.034 -5.726 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.292 7.940 -6.537 1.00 3.45 C ATOM 1713 C PRO A 121 -14.871 9.354 -6.622 1.00 3.18 C ATOM 1714 O PRO A 121 -14.209 10.285 -7.037 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.290 7.285 -7.917 1.00 3.90 C ATOM 1716 CG PRO A 121 -15.586 6.547 -8.006 1.00 3.47 C ATOM 1717 CD PRO A 121 -15.993 6.177 -6.576 1.00 2.74 C ATOM 0 HA PRO A 121 -13.298 8.058 -6.105 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.208 8.032 -8.707 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -13.443 6.608 -8.030 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.350 7.166 -8.476 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -15.479 5.653 -8.620 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.053 6.364 -6.403 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -15.818 5.120 -6.373 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.106 9.519 -6.235 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.733 10.868 -6.297 1.00 2.65 C ATOM 1727 C ASP A 122 -16.930 11.409 -4.880 1.00 2.94 C ATOM 1728 O ASP A 122 -17.209 12.575 -4.684 1.00 3.74 O ATOM 1729 CB ASP A 122 -18.089 10.768 -6.998 1.00 2.79 C ATOM 1730 CG ASP A 122 -17.886 10.812 -8.514 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -16.742 10.783 -8.939 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -18.876 10.873 -9.223 1.00 4.14 O ATOM 0 H ASP A 122 -16.708 8.777 -5.878 1.00 2.63 H new ATOM 0 HA ASP A 122 -16.084 11.543 -6.854 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -18.589 9.842 -6.714 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.734 11.588 -6.683 1.00 2.79 H new ATOM 1737 N GLY A 123 -16.786 10.573 -3.889 1.00 2.81 N ATOM 1738 CA GLY A 123 -16.964 11.044 -2.486 1.00 3.57 C ATOM 1739 C GLY A 123 -16.018 12.216 -2.219 1.00 3.16 C ATOM 1740 O GLY A 123 -16.437 13.349 -2.092 1.00 3.47 O ATOM 0 H GLY A 123 -16.553 9.585 -3.990 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -17.997 11.352 -2.322 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -16.759 10.231 -1.789 1.00 3.57 H new ATOM 1744 N ASP A 124 -14.743 11.952 -2.135 1.00 2.78 N ATOM 1745 CA ASP A 124 -13.769 13.052 -1.879 1.00 2.58 C ATOM 1746 C ASP A 124 -12.639 12.979 -2.907 1.00 2.15 C ATOM 1747 O ASP A 124 -11.795 13.850 -2.980 1.00 2.31 O ATOM 1748 CB ASP A 124 -13.188 12.901 -0.471 1.00 3.01 C ATOM 1749 CG ASP A 124 -13.973 13.784 0.502 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -15.170 13.923 0.311 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -13.363 14.307 1.420 1.00 3.51 O ATOM 0 H ASP A 124 -14.333 11.023 -2.232 1.00 2.78 H new ATOM 0 HA ASP A 124 -14.275 14.014 -1.962 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -13.238 11.859 -0.155 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -12.135 13.184 -0.468 1.00 3.01 H new ATOM 1756 N ALA A 125 -12.615 11.946 -3.704 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.540 11.817 -4.727 1.00 1.67 C ATOM 1758 C ALA A 125 -11.747 10.525 -5.521 1.00 1.39 C ATOM 1759 O ALA A 125 -12.268 9.552 -5.011 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.178 11.779 -4.035 1.00 2.08 C ATOM 0 H ALA A 125 -13.294 11.185 -3.691 1.00 1.83 H new ATOM 0 HA ALA A 125 -11.577 12.670 -5.404 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -9.392 11.685 -4.784 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.032 12.699 -3.469 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.138 10.926 -3.357 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.338 10.520 -6.760 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.474 9.333 -7.655 1.00 1.14 C ATOM 1768 C PRO A 126 -10.790 8.092 -7.078 1.00 1.05 C ATOM 1769 O PRO A 126 -10.906 7.003 -7.607 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.787 9.756 -8.959 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.017 10.997 -8.645 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.700 11.650 -7.447 1.00 1.39 C ATOM 0 HA PRO A 126 -12.520 9.057 -7.789 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.125 8.970 -9.323 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.521 9.942 -9.743 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -8.978 10.759 -8.415 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.008 11.673 -9.500 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -9.982 12.158 -6.803 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.432 12.395 -7.759 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.077 8.247 -5.997 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.384 7.078 -5.385 1.00 1.03 C ATOM 1782 C GLY A 127 -7.939 7.455 -5.054 1.00 1.09 C ATOM 1783 O GLY A 127 -7.466 8.515 -5.411 1.00 1.19 O ATOM 0 H GLY A 127 -9.944 9.133 -5.510 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -9.906 6.766 -4.480 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.402 6.231 -6.071 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.233 6.594 -4.372 1.00 1.12 N ATOM 1788 CA GLN A 128 -5.819 6.906 -4.021 1.00 1.26 C ATOM 1789 C GLN A 128 -5.036 5.604 -3.838 1.00 1.11 C ATOM 1790 O GLN A 128 -5.526 4.644 -3.280 1.00 1.11 O ATOM 1791 CB GLN A 128 -5.783 7.711 -2.720 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.464 8.483 -2.636 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.431 9.558 -3.725 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -5.550 10.088 -4.136 1.00 2.01 O flip ATOM 1795 NE2 GLN A 128 -3.375 9.918 -4.207 1.00 1.99 N flip ATOM 0 H GLN A 128 -7.574 5.690 -4.044 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.367 7.490 -4.823 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -6.625 8.403 -2.684 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -5.882 7.044 -1.864 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.362 8.943 -1.653 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -3.623 7.801 -2.758 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -2.500 9.504 -3.886 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -3.364 10.635 -4.933 1.00 1.99 H new ATOM 1804 N VAL A 129 -3.816 5.572 -4.302 1.00 1.03 N ATOM 1805 CA VAL A 129 -2.984 4.345 -4.160 1.00 0.91 C ATOM 1806 C VAL A 129 -1.513 4.758 -4.159 1.00 0.88 C ATOM 1807 O VAL A 129 -0.874 4.812 -5.189 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.245 3.402 -5.339 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.725 2.003 -5.000 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -4.748 3.332 -5.620 1.00 0.89 C ATOM 0 H VAL A 129 -3.358 6.350 -4.777 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.235 3.831 -3.232 1.00 0.91 H new ATOM 0 HB VAL A 129 -2.729 3.779 -6.222 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.911 1.333 -5.839 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -1.654 2.051 -4.804 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.239 1.628 -4.115 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -4.930 2.661 -6.459 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -5.266 2.958 -4.737 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -5.119 4.327 -5.864 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.979 5.074 -3.013 1.00 0.78 N ATOM 1821 CA ALA A 130 0.444 5.511 -2.953 1.00 0.85 C ATOM 1822 C ALA A 130 1.349 4.340 -2.566 1.00 0.75 C ATOM 1823 O ALA A 130 1.181 3.721 -1.534 1.00 0.73 O ATOM 1824 CB ALA A 130 0.578 6.627 -1.917 1.00 0.98 C ATOM 0 H ALA A 130 -1.465 5.049 -2.116 1.00 0.78 H new ATOM 0 HA ALA A 130 0.748 5.874 -3.935 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.617 6.953 -1.866 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.053 7.468 -2.205 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.266 6.256 -0.941 1.00 0.98 H new ATOM 1830 N PHE A 131 2.319 4.047 -3.388 1.00 0.75 N ATOM 1831 CA PHE A 131 3.260 2.932 -3.083 1.00 0.70 C ATOM 1832 C PHE A 131 4.606 3.529 -2.667 1.00 0.77 C ATOM 1833 O PHE A 131 5.518 3.635 -3.463 1.00 0.99 O ATOM 1834 CB PHE A 131 3.458 2.081 -4.339 1.00 0.70 C ATOM 1835 CG PHE A 131 2.443 0.962 -4.383 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.188 1.119 -3.781 1.00 1.29 C ATOM 1837 CD2 PHE A 131 2.761 -0.236 -5.034 1.00 1.49 C ATOM 1838 CE1 PHE A 131 0.254 0.077 -3.831 1.00 1.54 C ATOM 1839 CE2 PHE A 131 1.828 -1.276 -5.084 1.00 1.73 C ATOM 1840 CZ PHE A 131 0.573 -1.121 -4.483 1.00 1.48 C ATOM 0 H PHE A 131 2.501 4.536 -4.264 1.00 0.75 H new ATOM 0 HA PHE A 131 2.858 2.313 -2.281 1.00 0.70 H new ATOM 0 HB2 PHE A 131 3.360 2.705 -5.228 1.00 0.70 H new ATOM 0 HB3 PHE A 131 4.466 1.667 -4.350 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.941 2.043 -3.279 1.00 1.29 H new ATOM 0 HD2 PHE A 131 3.729 -0.357 -5.498 1.00 1.49 H new ATOM 0 HE1 PHE A 131 -0.713 0.197 -3.366 1.00 1.54 H new ATOM 0 HE2 PHE A 131 2.075 -2.199 -5.586 1.00 1.73 H new ATOM 0 HZ PHE A 131 -0.148 -1.924 -4.522 1.00 1.48 H new ATOM 1850 N HIS A 132 4.736 3.933 -1.433 1.00 0.82 N ATOM 1851 CA HIS A 132 6.021 4.536 -0.981 1.00 0.96 C ATOM 1852 C HIS A 132 6.852 3.493 -0.231 1.00 1.03 C ATOM 1853 O HIS A 132 6.348 2.753 0.589 1.00 1.41 O ATOM 1854 CB HIS A 132 5.729 5.717 -0.053 1.00 1.41 C ATOM 1855 CG HIS A 132 5.118 6.839 -0.846 1.00 1.36 C ATOM 1856 ND1 HIS A 132 5.491 7.440 -2.022 1.00 1.70 N flip ATOM 1857 CD2 HIS A 132 3.962 7.486 -0.442 1.00 1.88 C flip ATOM 1858 CE1 HIS A 132 4.582 8.444 -2.344 1.00 1.96 C flip ATOM 1859 NE2 HIS A 132 3.681 8.429 -1.358 1.00 2.32 N flip ATOM 0 H HIS A 132 4.009 3.872 -0.720 1.00 0.82 H new ATOM 0 HA HIS A 132 6.580 4.881 -1.851 1.00 0.96 H new ATOM 0 HB2 HIS A 132 5.051 5.409 0.743 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.649 6.054 0.425 1.00 1.41 H new ATOM 0 HD2 HIS A 132 3.390 7.272 0.448 1.00 1.88 H new ATOM 0 HE1 HIS A 132 4.601 9.095 -3.206 1.00 1.96 H new ATOM 0 HE2 HIS A 132 2.878 9.056 -1.306 1.00 2.32 H new ATOM 1867 N LEU A 133 8.126 3.434 -0.506 1.00 1.00 N ATOM 1868 CA LEU A 133 8.997 2.446 0.188 1.00 1.39 C ATOM 1869 C LEU A 133 10.245 3.155 0.719 1.00 1.62 C ATOM 1870 O LEU A 133 11.057 2.570 1.408 1.00 2.04 O ATOM 1871 CB LEU A 133 9.411 1.350 -0.794 1.00 1.58 C ATOM 1872 CG LEU A 133 8.412 1.295 -1.951 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.805 2.323 -3.014 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.426 -0.104 -2.568 1.00 2.11 C ATOM 0 H LEU A 133 8.602 4.030 -1.184 1.00 1.00 H new ATOM 0 HA LEU A 133 8.450 1.999 1.018 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.413 1.548 -1.174 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.448 0.387 -0.285 1.00 1.58 H new ATOM 0 HG LEU A 133 7.412 1.520 -1.579 1.00 1.41 H new ATOM 0 HD11 LEU A 133 8.093 2.284 -3.839 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.798 3.321 -2.575 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.804 2.098 -3.386 1.00 1.52 H new ATOM 0 HD21 LEU A 133 7.715 -0.145 -3.393 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.426 -0.328 -2.940 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.148 -0.838 -1.812 1.00 2.11 H new ATOM 1886 N GLY A 134 10.404 4.412 0.404 1.00 1.46 N ATOM 1887 CA GLY A 134 11.599 5.157 0.890 1.00 1.77 C ATOM 1888 C GLY A 134 11.851 4.814 2.359 1.00 1.08 C ATOM 1889 O GLY A 134 10.985 4.964 3.198 1.00 0.83 O ATOM 0 H GLY A 134 9.758 4.955 -0.169 1.00 1.46 H new ATOM 0 HA2 GLY A 134 12.471 4.898 0.290 1.00 1.77 H new ATOM 0 HA3 GLY A 134 11.442 6.230 0.778 1.00 1.77 H new ATOM 1893 N LYS A 135 13.029 4.352 2.676 1.00 1.23 N ATOM 1894 CA LYS A 135 13.332 3.997 4.091 1.00 1.09 C ATOM 1895 C LYS A 135 14.843 3.870 4.279 1.00 1.32 C ATOM 1896 O LYS A 135 15.511 3.161 3.552 1.00 1.76 O ATOM 1897 CB LYS A 135 12.666 2.663 4.437 1.00 1.93 C ATOM 1898 CG LYS A 135 11.166 2.876 4.648 1.00 2.37 C ATOM 1899 CD LYS A 135 10.620 1.777 5.561 1.00 3.36 C ATOM 1900 CE LYS A 135 9.090 1.820 5.555 1.00 4.04 C ATOM 1901 NZ LYS A 135 8.566 0.671 4.765 1.00 5.06 N ATOM 0 H LYS A 135 13.794 4.205 2.017 1.00 1.23 H new ATOM 0 HA LYS A 135 12.949 4.779 4.747 1.00 1.09 H new ATOM 0 HB2 LYS A 135 12.832 1.944 3.635 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.114 2.245 5.338 1.00 1.93 H new ATOM 0 HG2 LYS A 135 10.985 3.855 5.091 1.00 2.37 H new ATOM 0 HG3 LYS A 135 10.647 2.859 3.690 1.00 2.37 H new ATOM 0 HD2 LYS A 135 10.968 0.801 5.221 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.994 1.914 6.576 1.00 3.36 H new ATOM 0 HE2 LYS A 135 8.710 1.777 6.576 1.00 4.04 H new ATOM 0 HE3 LYS A 135 8.743 2.760 5.125 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 7.656 0.363 5.163 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 8.431 0.963 3.776 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 9.245 -0.116 4.804 1.00 5.06 H new ATOM 1915 N ALA A 136 15.390 4.542 5.254 1.00 1.56 N ATOM 1916 CA ALA A 136 16.857 4.439 5.485 1.00 1.90 C ATOM 1917 C ALA A 136 17.259 2.970 5.367 1.00 2.22 C ATOM 1918 O ALA A 136 18.421 2.636 5.246 1.00 2.64 O ATOM 1919 CB ALA A 136 17.196 4.954 6.886 1.00 2.27 C ATOM 0 H ALA A 136 14.888 5.154 5.897 1.00 1.56 H new ATOM 0 HA ALA A 136 17.396 5.037 4.750 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.271 4.877 7.052 1.00 2.27 H new ATOM 0 HB2 ALA A 136 16.889 5.996 6.975 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.670 4.356 7.631 1.00 2.27 H new ATOM 1925 N GLY A 137 16.295 2.091 5.395 1.00 2.17 N ATOM 1926 CA GLY A 137 16.597 0.638 5.279 1.00 2.51 C ATOM 1927 C GLY A 137 15.926 0.083 4.022 1.00 1.81 C ATOM 1928 O GLY A 137 15.981 -1.100 3.749 1.00 2.11 O ATOM 0 H GLY A 137 15.306 2.319 5.494 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.675 0.481 5.230 1.00 2.51 H new ATOM 0 HA3 GLY A 137 16.238 0.108 6.161 1.00 2.51 H new ATOM 1932 N ALA A 138 15.288 0.929 3.257 1.00 1.23 N ATOM 1933 CA ALA A 138 14.612 0.453 2.015 1.00 1.37 C ATOM 1934 C ALA A 138 15.596 -0.367 1.175 1.00 1.13 C ATOM 1935 O ALA A 138 16.603 -0.836 1.665 1.00 1.41 O ATOM 1936 CB ALA A 138 14.132 1.658 1.204 1.00 2.32 C ATOM 0 H ALA A 138 15.206 1.929 3.439 1.00 1.23 H new ATOM 0 HA ALA A 138 13.759 -0.170 2.284 1.00 1.37 H new ATOM 0 HB1 ALA A 138 13.638 1.312 0.296 1.00 2.32 H new ATOM 0 HB2 ALA A 138 13.430 2.241 1.800 1.00 2.32 H new ATOM 0 HB3 ALA A 138 14.986 2.281 0.937 1.00 2.32 H new ATOM 1942 N TYR A 139 15.315 -0.546 -0.087 1.00 0.82 N ATOM 1943 CA TYR A 139 16.241 -1.341 -0.942 1.00 0.75 C ATOM 1944 C TYR A 139 15.870 -1.177 -2.421 1.00 0.76 C ATOM 1945 O TYR A 139 15.984 -0.107 -2.983 1.00 0.83 O ATOM 1946 CB TYR A 139 16.158 -2.817 -0.544 1.00 0.74 C ATOM 1947 CG TYR A 139 14.727 -3.222 -0.247 1.00 0.79 C ATOM 1948 CD1 TYR A 139 13.642 -2.477 -0.735 1.00 1.41 C ATOM 1949 CD2 TYR A 139 14.490 -4.364 0.529 1.00 1.42 C ATOM 1950 CE1 TYR A 139 12.332 -2.875 -0.447 1.00 1.42 C ATOM 1951 CE2 TYR A 139 13.179 -4.760 0.816 1.00 1.61 C ATOM 1952 CZ TYR A 139 12.100 -4.016 0.329 1.00 1.11 C ATOM 1953 OH TYR A 139 10.807 -4.408 0.611 1.00 1.32 O ATOM 0 H TYR A 139 14.490 -0.179 -0.560 1.00 0.82 H new ATOM 0 HA TYR A 139 17.260 -0.982 -0.797 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.555 -3.437 -1.348 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.780 -2.996 0.333 1.00 0.74 H new ATOM 0 HD1 TYR A 139 13.819 -1.596 -1.333 1.00 1.41 H new ATOM 0 HD2 TYR A 139 15.322 -4.940 0.907 1.00 1.42 H new ATOM 0 HE1 TYR A 139 11.499 -2.301 -0.824 1.00 1.42 H new ATOM 0 HE2 TYR A 139 13.000 -5.641 1.414 1.00 1.61 H new ATOM 0 HH TYR A 139 10.794 -4.913 1.451 1.00 1.32 H new ATOM 1963 N GLU A 140 15.426 -2.231 -3.053 1.00 0.80 N ATOM 1964 CA GLU A 140 15.042 -2.135 -4.490 1.00 0.87 C ATOM 1965 C GLU A 140 13.611 -2.649 -4.662 1.00 0.77 C ATOM 1966 O GLU A 140 13.217 -3.623 -4.052 1.00 0.73 O ATOM 1967 CB GLU A 140 15.997 -2.984 -5.331 1.00 1.13 C ATOM 1968 CG GLU A 140 17.416 -2.421 -5.219 1.00 0.93 C ATOM 1969 CD GLU A 140 17.711 -1.534 -6.430 1.00 0.94 C ATOM 1970 OE1 GLU A 140 17.594 -2.025 -7.541 1.00 1.25 O ATOM 1971 OE2 GLU A 140 18.049 -0.380 -6.226 1.00 1.65 O ATOM 0 H GLU A 140 15.313 -3.155 -2.635 1.00 0.80 H new ATOM 0 HA GLU A 140 15.100 -1.097 -4.818 1.00 0.87 H new ATOM 0 HB2 GLU A 140 15.977 -4.019 -4.989 1.00 1.13 H new ATOM 0 HB3 GLU A 140 15.677 -2.986 -6.373 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.518 -1.845 -4.299 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.139 -3.235 -5.167 1.00 0.93 H new ATOM 1978 N PHE A 141 12.828 -2.001 -5.481 1.00 0.77 N ATOM 1979 CA PHE A 141 11.422 -2.457 -5.676 1.00 0.75 C ATOM 1980 C PHE A 141 11.183 -2.783 -7.152 1.00 0.72 C ATOM 1981 O PHE A 141 11.100 -1.901 -7.984 1.00 0.73 O ATOM 1982 CB PHE A 141 10.465 -1.346 -5.241 1.00 0.79 C ATOM 1983 CG PHE A 141 9.184 -1.955 -4.723 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.217 -2.827 -3.629 1.00 1.17 C ATOM 1985 CD2 PHE A 141 7.963 -1.645 -5.334 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.031 -3.390 -3.146 1.00 1.26 C ATOM 1987 CE2 PHE A 141 6.777 -2.209 -4.851 1.00 1.68 C ATOM 1988 CZ PHE A 141 6.810 -3.082 -3.758 1.00 1.00 C ATOM 0 H PHE A 141 13.099 -1.179 -6.021 1.00 0.77 H new ATOM 0 HA PHE A 141 11.246 -3.350 -5.077 1.00 0.75 H new ATOM 0 HB2 PHE A 141 10.929 -0.736 -4.466 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.252 -0.686 -6.082 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.159 -3.065 -3.157 1.00 1.17 H new ATOM 0 HD2 PHE A 141 7.937 -0.971 -6.177 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.057 -4.062 -2.301 1.00 1.26 H new ATOM 0 HE2 PHE A 141 5.835 -1.970 -5.322 1.00 1.68 H new ATOM 0 HZ PHE A 141 5.894 -3.518 -3.387 1.00 1.00 H new ATOM 1998 N CYS A 142 11.070 -4.041 -7.486 1.00 0.70 N ATOM 1999 CA CYS A 142 10.836 -4.418 -8.910 1.00 0.68 C ATOM 2000 C CYS A 142 9.366 -4.798 -9.113 1.00 0.68 C ATOM 2001 O CYS A 142 8.986 -5.941 -8.962 1.00 0.74 O ATOM 2002 CB CYS A 142 11.720 -5.613 -9.270 1.00 0.68 C ATOM 2003 SG CYS A 142 13.311 -5.038 -9.918 1.00 0.72 S ATOM 0 H CYS A 142 11.130 -4.823 -6.834 1.00 0.70 H new ATOM 0 HA CYS A 142 11.081 -3.571 -9.550 1.00 0.68 H new ATOM 0 HB2 CYS A 142 11.881 -6.235 -8.389 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.220 -6.235 -10.012 1.00 0.68 H new ATOM 2008 N ILE A 143 8.541 -3.850 -9.469 1.00 0.83 N ATOM 2009 CA ILE A 143 7.101 -4.158 -9.696 1.00 0.89 C ATOM 2010 C ILE A 143 6.809 -4.102 -11.193 1.00 0.92 C ATOM 2011 O ILE A 143 7.328 -3.272 -11.914 1.00 0.91 O ATOM 2012 CB ILE A 143 6.232 -3.145 -8.939 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.120 -2.603 -9.845 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.103 -1.984 -8.458 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.221 -1.661 -9.042 1.00 1.22 C ATOM 0 H ILE A 143 8.803 -2.875 -9.612 1.00 0.83 H new ATOM 0 HA ILE A 143 6.870 -5.157 -9.326 1.00 0.89 H new ATOM 0 HB ILE A 143 5.776 -3.647 -8.085 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.553 -2.074 -10.694 1.00 1.11 H new ATOM 0 HG13 ILE A 143 4.532 -3.427 -10.250 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.486 -1.264 -7.920 1.00 0.92 H new ATOM 0 HG22 ILE A 143 7.880 -2.363 -7.794 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.565 -1.496 -9.316 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.430 -1.276 -9.686 1.00 1.22 H new ATOM 0 HD12 ILE A 143 3.777 -2.205 -8.208 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.814 -0.831 -8.659 1.00 1.22 H new ATOM 2027 N SER A 144 5.981 -4.989 -11.662 1.00 1.00 N ATOM 2028 CA SER A 144 5.648 -5.008 -13.113 1.00 1.07 C ATOM 2029 C SER A 144 4.152 -5.261 -13.288 1.00 1.14 C ATOM 2030 O SER A 144 3.649 -5.313 -14.393 1.00 1.33 O ATOM 2031 CB SER A 144 6.435 -6.123 -13.801 1.00 1.17 C ATOM 2032 OG SER A 144 5.846 -7.377 -13.485 1.00 1.28 O ATOM 0 H SER A 144 5.518 -5.705 -11.102 1.00 1.00 H new ATOM 0 HA SER A 144 5.910 -4.048 -13.559 1.00 1.07 H new ATOM 0 HB2 SER A 144 6.436 -5.970 -14.880 1.00 1.17 H new ATOM 0 HB3 SER A 144 7.475 -6.104 -13.475 1.00 1.17 H new ATOM 0 HG SER A 144 6.347 -8.094 -13.926 1.00 1.28 H new ATOM 2038 N GLN A 145 3.433 -5.422 -12.211 1.00 1.08 N ATOM 2039 CA GLN A 145 1.969 -5.675 -12.338 1.00 1.29 C ATOM 2040 C GLN A 145 1.232 -5.104 -11.125 1.00 1.38 C ATOM 2041 O GLN A 145 1.814 -4.857 -10.088 1.00 1.99 O ATOM 2042 CB GLN A 145 1.718 -7.182 -12.421 1.00 1.40 C ATOM 2043 CG GLN A 145 2.899 -7.861 -13.116 1.00 1.94 C ATOM 2044 CD GLN A 145 2.608 -9.356 -13.274 1.00 2.35 C ATOM 2045 OE1 GLN A 145 1.450 -9.825 -12.896 1.00 2.30 O flip ATOM 2046 NE2 GLN A 145 3.441 -10.101 -13.748 1.00 3.30 N flip ATOM 0 H GLN A 145 3.791 -5.390 -11.257 1.00 1.08 H new ATOM 0 HA GLN A 145 1.600 -5.190 -13.242 1.00 1.29 H new ATOM 0 HB2 GLN A 145 1.585 -7.594 -11.421 1.00 1.40 H new ATOM 0 HB3 GLN A 145 0.798 -7.378 -12.971 1.00 1.40 H new ATOM 0 HG2 GLN A 145 3.070 -7.408 -14.092 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.809 -7.716 -12.534 1.00 1.94 H new ATOM 0 HE21 GLN A 145 4.345 -9.733 -14.043 1.00 3.30 H new ATOM 0 HE22 GLN A 145 3.236 -11.095 -13.851 1.00 3.30 H new ATOM 2055 N VAL A 146 -0.052 -4.898 -11.250 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.836 -4.347 -10.110 1.00 1.53 C ATOM 2057 C VAL A 146 -2.331 -4.514 -10.392 1.00 1.48 C ATOM 2058 O VAL A 146 -2.910 -3.787 -11.176 1.00 1.44 O ATOM 2059 CB VAL A 146 -0.509 -2.864 -9.931 1.00 1.59 C ATOM 2060 CG1 VAL A 146 -1.132 -2.059 -11.073 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -1.078 -2.379 -8.597 1.00 2.16 C ATOM 0 H VAL A 146 -0.591 -5.088 -12.095 1.00 1.54 H new ATOM 0 HA VAL A 146 -0.577 -4.885 -9.198 1.00 1.53 H new ATOM 0 HB VAL A 146 0.572 -2.726 -9.941 1.00 1.59 H new ATOM 0 HG11 VAL A 146 -0.898 -1.002 -10.943 1.00 2.26 H new ATOM 0 HG12 VAL A 146 -0.729 -2.406 -12.025 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -2.214 -2.194 -11.066 1.00 2.26 H new ATOM 0 HG21 VAL A 146 -0.847 -1.322 -8.466 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -2.159 -2.518 -8.591 1.00 2.16 H new ATOM 0 HG23 VAL A 146 -0.634 -2.951 -7.782 1.00 2.16 H new ATOM 2071 N SER A 147 -2.961 -5.469 -9.762 1.00 1.63 N ATOM 2072 CA SER A 147 -4.414 -5.683 -9.998 1.00 1.76 C ATOM 2073 C SER A 147 -5.206 -5.236 -8.767 1.00 2.04 C ATOM 2074 O SER A 147 -4.770 -5.397 -7.645 1.00 2.17 O ATOM 2075 CB SER A 147 -4.674 -7.167 -10.260 1.00 2.02 C ATOM 2076 OG SER A 147 -5.174 -7.772 -9.075 1.00 2.76 O ATOM 0 H SER A 147 -2.530 -6.109 -9.095 1.00 1.63 H new ATOM 0 HA SER A 147 -4.730 -5.099 -10.863 1.00 1.76 H new ATOM 0 HB2 SER A 147 -5.391 -7.285 -11.073 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.754 -7.660 -10.573 1.00 2.02 H new ATOM 0 HG SER A 147 -4.425 -8.077 -8.522 1.00 2.76 H new ATOM 2082 N LEU A 148 -6.368 -4.677 -8.970 1.00 2.31 N ATOM 2083 CA LEU A 148 -7.189 -4.220 -7.814 1.00 2.65 C ATOM 2084 C LEU A 148 -8.637 -4.674 -8.010 1.00 2.54 C ATOM 2085 O LEU A 148 -9.320 -4.224 -8.907 1.00 3.02 O ATOM 2086 CB LEU A 148 -7.137 -2.692 -7.725 1.00 3.24 C ATOM 2087 CG LEU A 148 -8.422 -2.163 -7.084 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.681 -2.896 -5.767 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -8.273 -0.666 -6.809 1.00 3.26 C ATOM 0 H LEU A 148 -6.784 -4.517 -9.887 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.796 -4.649 -6.893 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -6.273 -2.383 -7.137 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -7.014 -2.265 -8.720 1.00 3.24 H new ATOM 0 HG LEU A 148 -9.259 -2.331 -7.762 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.597 -2.517 -5.313 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -8.787 -3.964 -5.959 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.844 -2.731 -5.088 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -9.187 -0.287 -6.352 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -7.434 -0.502 -6.132 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -8.091 -0.140 -7.746 1.00 3.26 H new ATOM 2101 N THR A 149 -9.111 -5.560 -7.178 1.00 2.09 N ATOM 2102 CA THR A 149 -10.515 -6.036 -7.322 1.00 2.24 C ATOM 2103 C THR A 149 -11.021 -6.554 -5.973 1.00 1.93 C ATOM 2104 O THR A 149 -10.419 -6.323 -4.944 1.00 1.84 O ATOM 2105 CB THR A 149 -10.568 -7.167 -8.353 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.908 -7.618 -8.489 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.681 -8.324 -7.890 1.00 2.42 C ATOM 0 H THR A 149 -8.588 -5.974 -6.406 1.00 2.09 H new ATOM 0 HA THR A 149 -11.145 -5.210 -7.654 1.00 2.24 H new ATOM 0 HB THR A 149 -10.209 -6.801 -9.315 1.00 2.53 H new ATOM 0 HG1 THR A 149 -12.492 -6.855 -8.684 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.719 -9.128 -8.625 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.653 -7.976 -7.787 1.00 2.42 H new ATOM 0 HG23 THR A 149 -10.037 -8.693 -6.928 1.00 2.42 H new ATOM 2115 N THR A 150 -12.122 -7.254 -5.972 1.00 1.92 N ATOM 2116 CA THR A 150 -12.664 -7.788 -4.692 1.00 1.72 C ATOM 2117 C THR A 150 -13.055 -9.254 -4.878 1.00 1.75 C ATOM 2118 O THR A 150 -12.820 -10.086 -4.025 1.00 2.00 O ATOM 2119 CB THR A 150 -13.894 -6.971 -4.281 1.00 1.59 C ATOM 2120 OG1 THR A 150 -13.992 -6.948 -2.864 1.00 1.52 O ATOM 2121 CG2 THR A 150 -15.160 -7.596 -4.871 1.00 1.66 C ATOM 0 H THR A 150 -12.669 -7.479 -6.803 1.00 1.92 H new ATOM 0 HA THR A 150 -11.905 -7.714 -3.913 1.00 1.72 H new ATOM 0 HB THR A 150 -13.791 -5.954 -4.659 1.00 1.59 H new ATOM 0 HG1 THR A 150 -13.385 -7.617 -2.483 1.00 1.52 H new ATOM 0 HG21 THR A 150 -16.029 -7.008 -4.573 1.00 1.66 H new ATOM 0 HG22 THR A 150 -15.086 -7.610 -5.958 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.268 -8.616 -4.502 1.00 1.66 H new