USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 1.25 (180deg=0.522) USER MOD Single : A 2 SER OG : rot 155:sc= 1.17 USER MOD Single : A 4 THR OG1 : rot 41:sc= 0.0627 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 15 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.042) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -109:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.26 K(o=0.26,f=-5.3!) USER MOD Single : A 37 THR OG1 : rot 96:sc= 0.541 USER MOD Single : A 48 THR OG1 : rot 13:sc= 0.71 USER MOD Single : A 50 MET CE :methyl 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= -0.47 (180deg=-0.861) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 1 (180deg=0.544) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -168:sc=-0.00388 (180deg=-0.255) USER MOD Single : A 72 LYS NZ :NH3+ -103:sc= 0.315! (180deg=-0.155!) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 1.93 (180deg=1.72) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.22) USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 0.834 (180deg=0.759) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -101:sc= 0.529 (180deg=-1.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.262 -2.152 19.563 1.00 9.76 N ATOM 2 CA GLY A 1 8.160 -3.105 18.886 1.00 9.08 C ATOM 3 C GLY A 1 8.605 -2.429 17.620 1.00 8.00 C ATOM 4 O GLY A 1 9.349 -1.463 17.693 1.00 8.19 O ATOM 0 H1 GLY A 1 6.534 -2.675 20.090 1.00 9.76 H new ATOM 0 H2 GLY A 1 7.812 -1.565 20.222 1.00 9.76 H new ATOM 0 H3 GLY A 1 6.806 -1.542 18.855 1.00 9.76 H new ATOM 0 HA2 GLY A 1 9.014 -3.352 19.517 1.00 9.08 H new ATOM 0 HA3 GLY A 1 7.644 -4.040 18.668 1.00 9.08 H new ATOM 10 N SER A 2 7.989 -2.795 16.505 1.00 7.34 N ATOM 11 CA SER A 2 7.517 -1.814 15.519 1.00 6.61 C ATOM 12 C SER A 2 6.639 -0.717 16.171 1.00 6.19 C ATOM 13 O SER A 2 6.287 -0.790 17.358 1.00 6.85 O ATOM 14 CB SER A 2 6.710 -2.588 14.467 1.00 6.99 C ATOM 15 OG SER A 2 5.836 -3.493 15.121 1.00 7.96 O ATOM 0 H SER A 2 7.801 -3.765 16.254 1.00 7.34 H new ATOM 0 HA SER A 2 8.368 -1.302 15.070 1.00 6.61 H new ATOM 0 HB2 SER A 2 6.139 -1.896 13.848 1.00 6.99 H new ATOM 0 HB3 SER A 2 7.383 -3.130 13.802 1.00 6.99 H new ATOM 0 HG SER A 2 5.070 -3.685 14.541 1.00 7.96 H new ATOM 21 N PHE A 3 6.301 0.310 15.391 1.00 5.86 N ATOM 22 CA PHE A 3 5.504 1.482 15.789 1.00 6.31 C ATOM 23 C PHE A 3 5.060 2.233 14.532 1.00 6.17 C ATOM 24 O PHE A 3 3.881 2.528 14.358 1.00 6.67 O ATOM 25 CB PHE A 3 6.278 2.372 16.780 1.00 7.32 C ATOM 26 CG PHE A 3 7.677 2.783 16.346 1.00 7.82 C ATOM 27 CD1 PHE A 3 7.871 3.963 15.603 1.00 8.88 C ATOM 28 CD2 PHE A 3 8.785 1.981 16.684 1.00 8.00 C ATOM 29 CE1 PHE A 3 9.162 4.324 15.179 1.00 9.97 C ATOM 30 CE2 PHE A 3 10.075 2.344 16.259 1.00 9.27 C ATOM 31 CZ PHE A 3 10.263 3.514 15.503 1.00 10.19 C ATOM 0 H PHE A 3 6.588 0.354 14.413 1.00 5.86 H new ATOM 0 HA PHE A 3 4.610 1.159 16.321 1.00 6.31 H new ATOM 0 HB2 PHE A 3 5.694 3.274 16.961 1.00 7.32 H new ATOM 0 HB3 PHE A 3 6.353 1.845 17.731 1.00 7.32 H new ATOM 0 HD1 PHE A 3 7.027 4.591 15.359 1.00 8.88 H new ATOM 0 HD2 PHE A 3 8.643 1.086 17.271 1.00 8.00 H new ATOM 0 HE1 PHE A 3 9.307 5.226 14.603 1.00 9.97 H new ATOM 0 HE2 PHE A 3 10.922 1.724 16.513 1.00 9.27 H new ATOM 0 HZ PHE A 3 11.253 3.790 15.172 1.00 10.19 H new ATOM 41 N THR A 4 6.001 2.385 13.601 1.00 6.04 N ATOM 42 CA THR A 4 5.741 2.265 12.168 1.00 5.75 C ATOM 43 C THR A 4 5.447 0.800 11.865 1.00 4.17 C ATOM 44 O THR A 4 6.263 -0.065 12.181 1.00 4.32 O ATOM 45 CB THR A 4 6.944 2.759 11.360 1.00 7.13 C ATOM 46 OG1 THR A 4 8.151 2.313 11.936 1.00 7.40 O ATOM 47 CG2 THR A 4 6.988 4.285 11.318 1.00 8.98 C ATOM 0 H THR A 4 6.974 2.597 13.823 1.00 6.04 H new ATOM 0 HA THR A 4 4.887 2.881 11.886 1.00 5.75 H new ATOM 0 HB THR A 4 6.834 2.359 10.352 1.00 7.13 H new ATOM 0 HG1 THR A 4 8.049 1.384 12.231 1.00 7.40 H new ATOM 0 HG21 THR A 4 7.852 4.608 10.738 1.00 8.98 H new ATOM 0 HG22 THR A 4 6.077 4.663 10.853 1.00 8.98 H new ATOM 0 HG23 THR A 4 7.066 4.675 12.333 1.00 8.98 H new ATOM 55 N GLU A 5 4.273 0.529 11.300 1.00 3.26 N ATOM 56 CA GLU A 5 3.751 -0.772 10.870 1.00 2.06 C ATOM 57 C GLU A 5 2.671 -0.504 9.804 1.00 1.65 C ATOM 58 O GLU A 5 2.261 0.648 9.641 1.00 1.98 O ATOM 59 CB GLU A 5 3.175 -1.551 12.069 1.00 2.35 C ATOM 60 CG GLU A 5 3.037 -3.066 11.826 1.00 2.83 C ATOM 61 CD GLU A 5 4.333 -3.813 12.109 1.00 3.59 C ATOM 62 OE1 GLU A 5 5.222 -3.788 11.231 1.00 4.51 O ATOM 63 OE2 GLU A 5 4.472 -4.367 13.217 1.00 4.23 O ATOM 0 H GLU A 5 3.603 1.275 11.114 1.00 3.26 H new ATOM 0 HA GLU A 5 4.547 -1.387 10.450 1.00 2.06 H new ATOM 0 HB2 GLU A 5 3.816 -1.390 12.935 1.00 2.35 H new ATOM 0 HB3 GLU A 5 2.195 -1.143 12.317 1.00 2.35 H new ATOM 0 HG2 GLU A 5 2.244 -3.463 12.460 1.00 2.83 H new ATOM 0 HG3 GLU A 5 2.737 -3.241 10.793 1.00 2.83 H new ATOM 70 N GLY A 6 2.190 -1.525 9.079 1.00 1.38 N ATOM 71 CA GLY A 6 1.173 -1.332 8.049 1.00 1.15 C ATOM 72 C GLY A 6 -0.245 -1.562 8.560 1.00 1.18 C ATOM 73 O GLY A 6 -0.456 -2.037 9.673 1.00 1.53 O ATOM 0 H GLY A 6 2.493 -2.492 9.192 1.00 1.38 H new ATOM 0 HA2 GLY A 6 1.251 -0.319 7.655 1.00 1.15 H new ATOM 0 HA3 GLY A 6 1.369 -2.013 7.220 1.00 1.15 H new ATOM 77 N TRP A 7 -1.225 -1.265 7.705 1.00 1.03 N ATOM 78 CA TRP A 7 -2.659 -1.431 7.953 1.00 1.17 C ATOM 79 C TRP A 7 -3.456 -1.548 6.634 1.00 0.89 C ATOM 80 O TRP A 7 -2.984 -1.113 5.586 1.00 0.77 O ATOM 81 CB TRP A 7 -3.151 -0.229 8.775 1.00 1.75 C ATOM 82 CG TRP A 7 -4.257 -0.552 9.711 1.00 1.04 C ATOM 83 CD1 TRP A 7 -5.568 -0.605 9.401 1.00 1.40 C ATOM 84 CD2 TRP A 7 -4.152 -0.934 11.110 1.00 2.92 C ATOM 85 NE1 TRP A 7 -6.274 -1.073 10.481 1.00 3.55 N ATOM 86 CE2 TRP A 7 -5.441 -1.346 11.557 1.00 4.63 C ATOM 87 CE3 TRP A 7 -3.079 -1.025 12.024 1.00 3.55 C ATOM 88 CZ2 TRP A 7 -5.626 -1.897 12.834 1.00 6.89 C ATOM 89 CZ3 TRP A 7 -3.274 -1.530 13.323 1.00 5.75 C ATOM 90 CH2 TRP A 7 -4.540 -1.984 13.722 1.00 7.43 C ATOM 0 H TRP A 7 -1.032 -0.885 6.778 1.00 1.03 H new ATOM 0 HA TRP A 7 -2.821 -2.357 8.504 1.00 1.17 H new ATOM 0 HB2 TRP A 7 -2.314 0.177 9.343 1.00 1.75 H new ATOM 0 HB3 TRP A 7 -3.483 0.554 8.093 1.00 1.75 H new ATOM 0 HD1 TRP A 7 -5.996 -0.323 8.450 1.00 1.40 H new ATOM 0 HE1 TRP A 7 -7.286 -1.204 10.492 1.00 3.55 H new ATOM 0 HE3 TRP A 7 -2.094 -0.702 11.721 1.00 3.55 H new ATOM 0 HZ2 TRP A 7 -6.600 -2.253 13.134 1.00 6.89 H new ATOM 0 HZ3 TRP A 7 -2.446 -1.568 14.015 1.00 5.75 H new ATOM 0 HH2 TRP A 7 -4.680 -2.399 14.709 1.00 7.43 H new ATOM 101 N VAL A 8 -4.678 -2.074 6.669 1.00 1.08 N ATOM 102 CA VAL A 8 -5.615 -2.120 5.531 1.00 0.97 C ATOM 103 C VAL A 8 -6.979 -1.593 5.985 1.00 0.84 C ATOM 104 O VAL A 8 -7.488 -1.983 7.039 1.00 0.79 O ATOM 105 CB VAL A 8 -5.748 -3.552 4.967 1.00 1.05 C ATOM 106 CG1 VAL A 8 -6.723 -3.612 3.778 1.00 1.08 C ATOM 107 CG2 VAL A 8 -4.390 -4.106 4.506 1.00 1.29 C ATOM 0 H VAL A 8 -5.063 -2.496 7.514 1.00 1.08 H new ATOM 0 HA VAL A 8 -5.226 -1.492 4.730 1.00 0.97 H new ATOM 0 HB VAL A 8 -6.136 -4.161 5.784 1.00 1.05 H new ATOM 0 HG11 VAL A 8 -6.787 -4.637 3.412 1.00 1.08 H new ATOM 0 HG12 VAL A 8 -7.710 -3.279 4.100 1.00 1.08 H new ATOM 0 HG13 VAL A 8 -6.363 -2.963 2.980 1.00 1.08 H new ATOM 0 HG21 VAL A 8 -4.522 -5.115 4.115 1.00 1.29 H new ATOM 0 HG22 VAL A 8 -3.982 -3.465 3.725 1.00 1.29 H new ATOM 0 HG23 VAL A 8 -3.702 -4.131 5.351 1.00 1.29 H new ATOM 117 N ARG A 9 -7.564 -0.693 5.186 1.00 0.91 N ATOM 118 CA ARG A 9 -8.810 -0.014 5.539 1.00 0.98 C ATOM 119 C ARG A 9 -10.020 -0.801 5.009 1.00 0.87 C ATOM 120 O ARG A 9 -10.264 -0.866 3.804 1.00 1.72 O ATOM 121 CB ARG A 9 -8.760 1.425 4.993 1.00 1.37 C ATOM 122 CG ARG A 9 -9.667 2.411 5.737 1.00 1.85 C ATOM 123 CD ARG A 9 -11.171 2.146 5.616 1.00 2.72 C ATOM 124 NE ARG A 9 -11.938 3.274 6.159 1.00 3.27 N ATOM 125 CZ ARG A 9 -13.251 3.446 6.135 1.00 4.22 C ATOM 126 NH1 ARG A 9 -14.056 2.530 5.635 1.00 4.99 N ATOM 127 NH2 ARG A 9 -13.772 4.540 6.642 1.00 4.87 N ATOM 0 H ARG A 9 -7.186 -0.417 4.280 1.00 0.91 H new ATOM 0 HA ARG A 9 -8.922 0.034 6.622 1.00 0.98 H new ATOM 0 HB2 ARG A 9 -7.732 1.785 5.043 1.00 1.37 H new ATOM 0 HB3 ARG A 9 -9.042 1.412 3.940 1.00 1.37 H new ATOM 0 HG2 ARG A 9 -9.398 2.399 6.793 1.00 1.85 H new ATOM 0 HG3 ARG A 9 -9.462 3.416 5.367 1.00 1.85 H new ATOM 0 HD2 ARG A 9 -11.435 1.989 4.570 1.00 2.72 H new ATOM 0 HD3 ARG A 9 -11.429 1.232 6.151 1.00 2.72 H new ATOM 0 HE ARG A 9 -11.396 4.012 6.608 1.00 3.27 H new ATOM 0 HH11 ARG A 9 -13.671 1.665 5.255 1.00 4.99 H new ATOM 0 HH12 ARG A 9 -15.064 2.686 5.628 1.00 4.99 H new ATOM 0 HH21 ARG A 9 -13.166 5.251 7.051 1.00 4.87 H new ATOM 0 HH22 ARG A 9 -14.782 4.678 6.626 1.00 4.87 H new ATOM 141 N PHE A 10 -10.811 -1.349 5.931 1.00 0.81 N ATOM 142 CA PHE A 10 -12.024 -2.132 5.696 1.00 0.76 C ATOM 143 C PHE A 10 -13.106 -1.390 4.890 1.00 0.97 C ATOM 144 O PHE A 10 -13.349 -0.200 5.098 1.00 1.54 O ATOM 145 CB PHE A 10 -12.586 -2.529 7.074 1.00 1.20 C ATOM 146 CG PHE A 10 -13.964 -3.160 7.054 1.00 1.72 C ATOM 147 CD1 PHE A 10 -15.111 -2.344 7.117 1.00 2.02 C ATOM 148 CD2 PHE A 10 -14.102 -4.552 6.953 1.00 2.74 C ATOM 149 CE1 PHE A 10 -16.389 -2.920 7.061 1.00 2.45 C ATOM 150 CE2 PHE A 10 -15.384 -5.134 6.967 1.00 3.30 C ATOM 151 CZ PHE A 10 -16.528 -4.318 7.003 1.00 2.88 C ATOM 0 H PHE A 10 -10.609 -1.252 6.926 1.00 0.81 H new ATOM 0 HA PHE A 10 -11.753 -2.997 5.090 1.00 0.76 H new ATOM 0 HB2 PHE A 10 -11.892 -3.226 7.544 1.00 1.20 H new ATOM 0 HB3 PHE A 10 -12.621 -1.640 7.704 1.00 1.20 H new ATOM 0 HD1 PHE A 10 -15.006 -1.273 7.209 1.00 2.02 H new ATOM 0 HD2 PHE A 10 -13.226 -5.177 6.865 1.00 2.74 H new ATOM 0 HE1 PHE A 10 -17.266 -2.290 7.062 1.00 2.45 H new ATOM 0 HE2 PHE A 10 -15.489 -6.209 6.950 1.00 3.30 H new ATOM 0 HZ PHE A 10 -17.512 -4.764 6.986 1.00 2.88 H new ATOM 161 N SER A 11 -13.861 -2.144 4.089 1.00 0.88 N ATOM 162 CA SER A 11 -15.153 -1.747 3.520 1.00 1.24 C ATOM 163 C SER A 11 -15.908 -2.998 3.025 1.00 1.27 C ATOM 164 O SER A 11 -15.247 -3.952 2.615 1.00 1.35 O ATOM 165 CB SER A 11 -14.916 -0.769 2.356 1.00 1.63 C ATOM 166 OG SER A 11 -16.105 -0.098 1.977 1.00 2.68 O ATOM 0 H SER A 11 -13.580 -3.083 3.807 1.00 0.88 H new ATOM 0 HA SER A 11 -15.756 -1.254 4.282 1.00 1.24 H new ATOM 0 HB2 SER A 11 -14.163 -0.036 2.646 1.00 1.63 H new ATOM 0 HB3 SER A 11 -14.518 -1.314 1.500 1.00 1.63 H new ATOM 0 HG SER A 11 -15.913 0.515 1.237 1.00 2.68 H new ATOM 172 N PRO A 12 -17.257 -3.021 3.014 1.00 1.59 N ATOM 173 CA PRO A 12 -18.054 -4.089 2.403 1.00 1.80 C ATOM 174 C PRO A 12 -18.229 -3.857 0.888 1.00 1.57 C ATOM 175 O PRO A 12 -19.331 -3.920 0.347 1.00 1.96 O ATOM 176 CB PRO A 12 -19.374 -4.047 3.171 1.00 2.36 C ATOM 177 CG PRO A 12 -19.562 -2.547 3.375 1.00 2.41 C ATOM 178 CD PRO A 12 -18.142 -2.072 3.676 1.00 2.05 C ATOM 0 HA PRO A 12 -17.584 -5.070 2.471 1.00 1.80 H new ATOM 0 HB2 PRO A 12 -20.193 -4.489 2.603 1.00 2.36 H new ATOM 0 HB3 PRO A 12 -19.315 -4.585 4.117 1.00 2.36 H new ATOM 0 HG2 PRO A 12 -19.971 -2.065 2.487 1.00 2.41 H new ATOM 0 HG3 PRO A 12 -20.244 -2.332 4.197 1.00 2.41 H new ATOM 0 HD2 PRO A 12 -17.981 -1.061 3.302 1.00 2.05 H new ATOM 0 HD3 PRO A 12 -17.957 -2.048 4.750 1.00 2.05 H new ATOM 186 N GLY A 13 -17.128 -3.519 0.213 1.00 1.30 N ATOM 187 CA GLY A 13 -17.079 -3.148 -1.207 1.00 1.16 C ATOM 188 C GLY A 13 -16.109 -4.001 -2.039 1.00 1.05 C ATOM 189 O GLY A 13 -15.283 -4.712 -1.472 1.00 1.20 O ATOM 0 H GLY A 13 -16.209 -3.495 0.656 1.00 1.30 H new ATOM 0 HA2 GLY A 13 -18.080 -3.236 -1.630 1.00 1.16 H new ATOM 0 HA3 GLY A 13 -16.789 -2.101 -1.289 1.00 1.16 H new ATOM 193 N PRO A 14 -16.168 -3.913 -3.384 1.00 0.98 N ATOM 194 CA PRO A 14 -15.332 -4.706 -4.288 1.00 1.03 C ATOM 195 C PRO A 14 -13.861 -4.269 -4.325 1.00 0.90 C ATOM 196 O PRO A 14 -13.012 -5.059 -4.735 1.00 1.03 O ATOM 197 CB PRO A 14 -15.978 -4.541 -5.667 1.00 1.18 C ATOM 198 CG PRO A 14 -16.656 -3.174 -5.594 1.00 1.15 C ATOM 199 CD PRO A 14 -17.108 -3.096 -4.138 1.00 1.07 C ATOM 0 HA PRO A 14 -15.294 -5.741 -3.948 1.00 1.03 H new ATOM 0 HB2 PRO A 14 -15.234 -4.576 -6.463 1.00 1.18 H new ATOM 0 HB3 PRO A 14 -16.698 -5.334 -5.868 1.00 1.18 H new ATOM 0 HG2 PRO A 14 -15.968 -2.368 -5.847 1.00 1.15 H new ATOM 0 HG3 PRO A 14 -17.498 -3.103 -6.283 1.00 1.15 H new ATOM 0 HD2 PRO A 14 -17.103 -2.066 -3.782 1.00 1.07 H new ATOM 0 HD3 PRO A 14 -18.127 -3.467 -4.025 1.00 1.07 H new ATOM 207 N ASN A 15 -13.545 -3.034 -3.922 1.00 0.80 N ATOM 208 CA ASN A 15 -12.218 -2.444 -3.968 1.00 0.74 C ATOM 209 C ASN A 15 -11.863 -1.626 -2.703 1.00 0.63 C ATOM 210 O ASN A 15 -12.729 -1.033 -2.056 1.00 0.89 O ATOM 211 CB ASN A 15 -12.127 -1.596 -5.248 1.00 1.15 C ATOM 212 CG ASN A 15 -13.339 -0.732 -5.568 1.00 1.47 C ATOM 213 OD1 ASN A 15 -13.928 -0.850 -6.631 1.00 3.07 O ATOM 214 ND2 ASN A 15 -13.732 0.163 -4.680 1.00 1.77 N ATOM 0 H ASN A 15 -14.243 -2.396 -3.539 1.00 0.80 H new ATOM 0 HA ASN A 15 -11.477 -3.243 -3.988 1.00 0.74 H new ATOM 0 HB2 ASN A 15 -11.255 -0.947 -5.168 1.00 1.15 H new ATOM 0 HB3 ASN A 15 -11.951 -2.265 -6.090 1.00 1.15 H new ATOM 0 HD21 ASN A 15 -14.533 0.762 -4.880 1.00 1.77 H new ATOM 0 HD22 ASN A 15 -13.235 0.255 -3.794 1.00 1.77 H new ATOM 221 N ALA A 16 -10.562 -1.544 -2.392 1.00 0.54 N ATOM 222 CA ALA A 16 -9.987 -0.985 -1.160 1.00 0.57 C ATOM 223 C ALA A 16 -8.600 -0.339 -1.399 1.00 0.54 C ATOM 224 O ALA A 16 -8.153 -0.217 -2.538 1.00 0.52 O ATOM 225 CB ALA A 16 -9.939 -2.101 -0.104 1.00 0.65 C ATOM 0 H ALA A 16 -9.842 -1.885 -3.029 1.00 0.54 H new ATOM 0 HA ALA A 16 -10.618 -0.173 -0.800 1.00 0.57 H new ATOM 0 HB1 ALA A 16 -9.515 -1.709 0.821 1.00 0.65 H new ATOM 0 HB2 ALA A 16 -10.948 -2.466 0.086 1.00 0.65 H new ATOM 0 HB3 ALA A 16 -9.319 -2.920 -0.468 1.00 0.65 H new ATOM 231 N ALA A 17 -7.927 0.101 -0.332 1.00 0.62 N ATOM 232 CA ALA A 17 -6.549 0.605 -0.338 1.00 0.58 C ATOM 233 C ALA A 17 -5.766 -0.030 0.837 1.00 0.58 C ATOM 234 O ALA A 17 -6.292 -0.126 1.949 1.00 0.81 O ATOM 235 CB ALA A 17 -6.606 2.131 -0.198 1.00 0.65 C ATOM 0 H ALA A 17 -8.344 0.117 0.599 1.00 0.62 H new ATOM 0 HA ALA A 17 -6.039 0.343 -1.265 1.00 0.58 H new ATOM 0 HB1 ALA A 17 -5.593 2.535 -0.199 1.00 0.65 H new ATOM 0 HB2 ALA A 17 -7.166 2.552 -1.033 1.00 0.65 H new ATOM 0 HB3 ALA A 17 -7.099 2.392 0.738 1.00 0.65 H new ATOM 241 N ALA A 18 -4.531 -0.471 0.584 1.00 0.55 N ATOM 242 CA ALA A 18 -3.658 -1.155 1.539 1.00 0.64 C ATOM 243 C ALA A 18 -2.369 -0.359 1.799 1.00 0.66 C ATOM 244 O ALA A 18 -1.589 -0.049 0.894 1.00 0.85 O ATOM 245 CB ALA A 18 -3.333 -2.554 1.007 1.00 0.74 C ATOM 0 H ALA A 18 -4.095 -0.356 -0.331 1.00 0.55 H new ATOM 0 HA ALA A 18 -4.179 -1.237 2.493 1.00 0.64 H new ATOM 0 HB1 ALA A 18 -2.683 -3.070 1.713 1.00 0.74 H new ATOM 0 HB2 ALA A 18 -4.256 -3.120 0.884 1.00 0.74 H new ATOM 0 HB3 ALA A 18 -2.828 -2.469 0.045 1.00 0.74 H new ATOM 251 N TYR A 19 -2.140 -0.067 3.073 1.00 0.64 N ATOM 252 CA TYR A 19 -1.069 0.789 3.575 1.00 0.70 C ATOM 253 C TYR A 19 0.017 -0.082 4.229 1.00 0.80 C ATOM 254 O TYR A 19 0.184 -0.105 5.448 1.00 1.23 O ATOM 255 CB TYR A 19 -1.707 1.835 4.510 1.00 0.79 C ATOM 256 CG TYR A 19 -2.712 2.727 3.803 1.00 1.06 C ATOM 257 CD1 TYR A 19 -2.273 3.898 3.161 1.00 2.43 C ATOM 258 CD2 TYR A 19 -4.068 2.355 3.716 1.00 1.75 C ATOM 259 CE1 TYR A 19 -3.175 4.702 2.439 1.00 2.80 C ATOM 260 CE2 TYR A 19 -4.971 3.136 2.970 1.00 1.99 C ATOM 261 CZ TYR A 19 -4.527 4.310 2.320 1.00 1.99 C ATOM 262 OH TYR A 19 -5.390 5.037 1.562 1.00 2.52 O ATOM 0 H TYR A 19 -2.724 -0.438 3.822 1.00 0.64 H new ATOM 0 HA TYR A 19 -0.560 1.336 2.781 1.00 0.70 H new ATOM 0 HB2 TYR A 19 -2.201 1.323 5.336 1.00 0.79 H new ATOM 0 HB3 TYR A 19 -0.922 2.454 4.943 1.00 0.79 H new ATOM 0 HD1 TYR A 19 -1.233 4.184 3.222 1.00 2.43 H new ATOM 0 HD2 TYR A 19 -4.416 1.467 4.223 1.00 1.75 H new ATOM 0 HE1 TYR A 19 -2.834 5.617 1.977 1.00 2.80 H new ATOM 0 HE2 TYR A 19 -6.006 2.837 2.894 1.00 1.99 H new ATOM 0 HH TYR A 19 -6.278 4.624 1.591 1.00 2.52 H new ATOM 272 N LEU A 20 0.692 -0.911 3.420 1.00 1.39 N ATOM 273 CA LEU A 20 1.606 -1.954 3.901 1.00 1.54 C ATOM 274 C LEU A 20 2.934 -1.396 4.439 1.00 1.34 C ATOM 275 O LEU A 20 3.437 -0.402 3.925 1.00 1.19 O ATOM 276 CB LEU A 20 1.758 -3.038 2.809 1.00 1.74 C ATOM 277 CG LEU A 20 2.607 -2.740 1.555 1.00 1.58 C ATOM 278 CD1 LEU A 20 4.114 -2.955 1.771 1.00 1.89 C ATOM 279 CD2 LEU A 20 2.157 -3.699 0.443 1.00 2.14 C ATOM 0 H LEU A 20 0.617 -0.875 2.403 1.00 1.39 H new ATOM 0 HA LEU A 20 1.171 -2.432 4.779 1.00 1.54 H new ATOM 0 HB2 LEU A 20 2.178 -3.924 3.285 1.00 1.74 H new ATOM 0 HB3 LEU A 20 0.756 -3.303 2.470 1.00 1.74 H new ATOM 0 HG LEU A 20 2.457 -1.690 1.304 1.00 1.58 H new ATOM 0 HD11 LEU A 20 4.650 -2.727 0.849 1.00 1.89 H new ATOM 0 HD12 LEU A 20 4.465 -2.298 2.567 1.00 1.89 H new ATOM 0 HD13 LEU A 20 4.297 -3.993 2.050 1.00 1.89 H new ATOM 0 HD21 LEU A 20 2.741 -3.511 -0.458 1.00 2.14 H new ATOM 0 HD22 LEU A 20 2.310 -4.729 0.767 1.00 2.14 H new ATOM 0 HD23 LEU A 20 1.100 -3.539 0.230 1.00 2.14 H new ATOM 291 N THR A 21 3.554 -2.052 5.429 1.00 1.44 N ATOM 292 CA THR A 21 4.932 -1.717 5.822 1.00 1.43 C ATOM 293 C THR A 21 5.926 -2.418 4.912 1.00 1.52 C ATOM 294 O THR A 21 5.712 -3.566 4.525 1.00 1.86 O ATOM 295 CB THR A 21 5.203 -1.904 7.316 1.00 1.60 C ATOM 296 OG1 THR A 21 6.538 -1.549 7.583 1.00 2.54 O ATOM 297 CG2 THR A 21 4.983 -3.324 7.778 1.00 3.57 C ATOM 0 H THR A 21 3.131 -2.808 5.967 1.00 1.44 H new ATOM 0 HA THR A 21 5.071 -0.646 5.676 1.00 1.43 H new ATOM 0 HB THR A 21 4.501 -1.269 7.855 1.00 1.60 H new ATOM 0 HG1 THR A 21 7.056 -2.355 7.789 1.00 2.54 H new ATOM 0 HG21 THR A 21 5.191 -3.396 8.846 1.00 3.57 H new ATOM 0 HG22 THR A 21 3.949 -3.612 7.589 1.00 3.57 H new ATOM 0 HG23 THR A 21 5.651 -3.991 7.233 1.00 3.57 H new ATOM 305 N LEU A 22 6.985 -1.692 4.549 1.00 1.43 N ATOM 306 CA LEU A 22 8.075 -2.145 3.692 1.00 1.72 C ATOM 307 C LEU A 22 9.352 -2.173 4.530 1.00 1.48 C ATOM 308 O LEU A 22 9.687 -1.192 5.209 1.00 1.38 O ATOM 309 CB LEU A 22 8.216 -1.189 2.485 1.00 2.07 C ATOM 310 CG LEU A 22 8.801 -1.745 1.176 1.00 2.64 C ATOM 311 CD1 LEU A 22 10.235 -2.276 1.324 1.00 2.94 C ATOM 312 CD2 LEU A 22 7.899 -2.826 0.577 1.00 2.91 C ATOM 0 H LEU A 22 7.109 -0.729 4.860 1.00 1.43 H new ATOM 0 HA LEU A 22 7.878 -3.144 3.302 1.00 1.72 H new ATOM 0 HB2 LEU A 22 7.227 -0.787 2.263 1.00 2.07 H new ATOM 0 HB3 LEU A 22 8.838 -0.350 2.797 1.00 2.07 H new ATOM 0 HG LEU A 22 8.846 -0.897 0.493 1.00 2.64 H new ATOM 0 HD11 LEU A 22 10.585 -2.653 0.363 1.00 2.94 H new ATOM 0 HD12 LEU A 22 10.889 -1.470 1.657 1.00 2.94 H new ATOM 0 HD13 LEU A 22 10.250 -3.083 2.057 1.00 2.94 H new ATOM 0 HD21 LEU A 22 8.341 -3.198 -0.347 1.00 2.91 H new ATOM 0 HD22 LEU A 22 7.795 -3.647 1.286 1.00 2.91 H new ATOM 0 HD23 LEU A 22 6.917 -2.404 0.365 1.00 2.91 H new ATOM 324 N GLU A 23 10.062 -3.292 4.440 1.00 1.67 N ATOM 325 CA GLU A 23 11.374 -3.501 5.030 1.00 1.68 C ATOM 326 C GLU A 23 12.380 -3.832 3.937 1.00 1.52 C ATOM 327 O GLU A 23 12.169 -4.733 3.122 1.00 1.74 O ATOM 328 CB GLU A 23 11.350 -4.672 6.016 1.00 2.38 C ATOM 329 CG GLU A 23 10.339 -4.442 7.136 1.00 2.67 C ATOM 330 CD GLU A 23 10.535 -5.438 8.269 1.00 3.15 C ATOM 331 OE1 GLU A 23 10.766 -6.627 7.980 1.00 4.27 O ATOM 332 OE2 GLU A 23 10.426 -4.978 9.428 1.00 3.19 O ATOM 0 H GLU A 23 9.723 -4.110 3.933 1.00 1.67 H new ATOM 0 HA GLU A 23 11.654 -2.587 5.553 1.00 1.68 H new ATOM 0 HB2 GLU A 23 11.103 -5.591 5.485 1.00 2.38 H new ATOM 0 HB3 GLU A 23 12.343 -4.809 6.444 1.00 2.38 H new ATOM 0 HG2 GLU A 23 10.442 -3.427 7.519 1.00 2.67 H new ATOM 0 HG3 GLU A 23 9.327 -4.532 6.740 1.00 2.67 H new ATOM 339 N ASN A 24 13.512 -3.142 3.971 1.00 1.26 N ATOM 340 CA ASN A 24 14.718 -3.576 3.289 1.00 1.10 C ATOM 341 C ASN A 24 15.735 -4.071 4.335 1.00 1.11 C ATOM 342 O ASN A 24 16.400 -3.250 4.968 1.00 1.17 O ATOM 343 CB ASN A 24 15.266 -2.407 2.473 1.00 1.01 C ATOM 344 CG ASN A 24 16.433 -2.853 1.611 1.00 0.93 C ATOM 345 OD1 ASN A 24 16.873 -3.998 1.653 1.00 1.51 O ATOM 346 ND2 ASN A 24 16.919 -1.964 0.774 1.00 0.77 N ATOM 0 H ASN A 24 13.617 -2.262 4.475 1.00 1.26 H new ATOM 0 HA ASN A 24 14.509 -4.400 2.607 1.00 1.10 H new ATOM 0 HB2 ASN A 24 14.478 -1.997 1.842 1.00 1.01 H new ATOM 0 HB3 ASN A 24 15.586 -1.609 3.142 1.00 1.01 H new ATOM 0 HD21 ASN A 24 17.677 -2.220 0.142 1.00 0.77 H new ATOM 0 HD22 ASN A 24 16.538 -1.018 0.757 1.00 0.77 H new ATOM 353 N PRO A 25 15.875 -5.393 4.543 1.00 1.18 N ATOM 354 CA PRO A 25 16.891 -5.957 5.431 1.00 1.24 C ATOM 355 C PRO A 25 18.293 -6.017 4.796 1.00 1.16 C ATOM 356 O PRO A 25 19.263 -6.316 5.495 1.00 1.27 O ATOM 357 CB PRO A 25 16.370 -7.360 5.760 1.00 1.38 C ATOM 358 CG PRO A 25 15.603 -7.747 4.495 1.00 1.37 C ATOM 359 CD PRO A 25 14.974 -6.430 4.062 1.00 1.29 C ATOM 0 HA PRO A 25 17.028 -5.333 6.314 1.00 1.24 H new ATOM 0 HB2 PRO A 25 17.184 -8.055 5.967 1.00 1.38 H new ATOM 0 HB3 PRO A 25 15.724 -7.355 6.638 1.00 1.38 H new ATOM 0 HG2 PRO A 25 16.265 -8.150 3.728 1.00 1.37 H new ATOM 0 HG3 PRO A 25 14.849 -8.508 4.697 1.00 1.37 H new ATOM 0 HD2 PRO A 25 14.866 -6.384 2.978 1.00 1.29 H new ATOM 0 HD3 PRO A 25 13.977 -6.312 4.487 1.00 1.29 H new ATOM 367 N GLY A 26 18.426 -5.748 3.490 1.00 1.02 N ATOM 368 CA GLY A 26 19.679 -5.852 2.754 1.00 1.04 C ATOM 369 C GLY A 26 20.541 -4.601 2.865 1.00 0.93 C ATOM 370 O GLY A 26 20.209 -3.630 3.540 1.00 1.21 O ATOM 0 H GLY A 26 17.644 -5.446 2.909 1.00 1.02 H new ATOM 0 HA2 GLY A 26 20.242 -6.708 3.125 1.00 1.04 H new ATOM 0 HA3 GLY A 26 19.462 -6.045 1.703 1.00 1.04 H new ATOM 374 N ASP A 27 21.678 -4.677 2.193 1.00 0.93 N ATOM 375 CA ASP A 27 22.789 -3.731 2.206 1.00 1.22 C ATOM 376 C ASP A 27 22.852 -2.909 0.907 1.00 1.19 C ATOM 377 O ASP A 27 23.641 -1.978 0.765 1.00 1.44 O ATOM 378 CB ASP A 27 24.033 -4.604 2.393 1.00 1.59 C ATOM 379 CG ASP A 27 24.016 -5.272 3.770 1.00 2.14 C ATOM 380 OD1 ASP A 27 24.457 -4.636 4.751 1.00 2.74 O ATOM 381 OD2 ASP A 27 23.388 -6.345 3.910 1.00 2.99 O ATOM 0 H ASP A 27 21.866 -5.465 1.573 1.00 0.93 H new ATOM 0 HA ASP A 27 22.689 -2.989 2.999 1.00 1.22 H new ATOM 0 HB2 ASP A 27 24.071 -5.365 1.613 1.00 1.59 H new ATOM 0 HB3 ASP A 27 24.931 -3.995 2.289 1.00 1.59 H new ATOM 386 N LEU A 28 21.952 -3.238 -0.024 1.00 0.94 N ATOM 387 CA LEU A 28 21.673 -2.554 -1.281 1.00 0.91 C ATOM 388 C LEU A 28 20.210 -2.067 -1.309 1.00 0.77 C ATOM 389 O LEU A 28 19.390 -2.589 -0.542 1.00 0.73 O ATOM 390 CB LEU A 28 22.074 -3.507 -2.423 1.00 1.04 C ATOM 391 CG LEU A 28 21.301 -4.839 -2.544 1.00 1.40 C ATOM 392 CD1 LEU A 28 19.952 -4.698 -3.264 1.00 1.87 C ATOM 393 CD2 LEU A 28 22.156 -5.854 -3.319 1.00 1.82 C ATOM 0 H LEU A 28 21.354 -4.056 0.096 1.00 0.94 H new ATOM 0 HA LEU A 28 22.259 -1.643 -1.402 1.00 0.91 H new ATOM 0 HB2 LEU A 28 21.966 -2.968 -3.364 1.00 1.04 H new ATOM 0 HB3 LEU A 28 23.132 -3.741 -2.310 1.00 1.04 H new ATOM 0 HG LEU A 28 21.098 -5.173 -1.526 1.00 1.40 H new ATOM 0 HD11 LEU A 28 19.463 -5.671 -3.314 1.00 1.87 H new ATOM 0 HD12 LEU A 28 19.318 -4.001 -2.716 1.00 1.87 H new ATOM 0 HD13 LEU A 28 20.116 -4.322 -4.274 1.00 1.87 H new ATOM 0 HD21 LEU A 28 21.613 -6.795 -3.406 1.00 1.82 H new ATOM 0 HD22 LEU A 28 22.370 -5.465 -4.314 1.00 1.82 H new ATOM 0 HD23 LEU A 28 23.092 -6.023 -2.787 1.00 1.82 H new ATOM 405 N PRO A 29 19.846 -1.076 -2.146 1.00 0.79 N ATOM 406 CA PRO A 29 18.507 -0.498 -2.149 1.00 0.72 C ATOM 407 C PRO A 29 17.514 -1.403 -2.893 1.00 0.66 C ATOM 408 O PRO A 29 17.866 -2.049 -3.882 1.00 0.78 O ATOM 409 CB PRO A 29 18.658 0.869 -2.820 1.00 0.83 C ATOM 410 CG PRO A 29 19.820 0.657 -3.793 1.00 0.96 C ATOM 411 CD PRO A 29 20.700 -0.393 -3.106 1.00 0.97 C ATOM 0 HA PRO A 29 18.102 -0.397 -1.142 1.00 0.72 H new ATOM 0 HB2 PRO A 29 17.747 1.165 -3.340 1.00 0.83 H new ATOM 0 HB3 PRO A 29 18.879 1.651 -2.094 1.00 0.83 H new ATOM 0 HG2 PRO A 29 19.468 0.308 -4.764 1.00 0.96 H new ATOM 0 HG3 PRO A 29 20.368 1.583 -3.967 1.00 0.96 H new ATOM 0 HD2 PRO A 29 21.107 -1.096 -3.833 1.00 0.97 H new ATOM 0 HD3 PRO A 29 21.548 0.076 -2.607 1.00 0.97 H new ATOM 419 N LEU A 30 16.260 -1.427 -2.432 1.00 0.61 N ATOM 420 CA LEU A 30 15.146 -2.125 -3.086 1.00 0.65 C ATOM 421 C LEU A 30 14.232 -1.130 -3.807 1.00 0.60 C ATOM 422 O LEU A 30 14.058 0.019 -3.401 1.00 0.58 O ATOM 423 CB LEU A 30 14.331 -2.930 -2.053 1.00 0.78 C ATOM 424 CG LEU A 30 14.782 -4.379 -1.737 1.00 0.93 C ATOM 425 CD1 LEU A 30 16.299 -4.607 -1.704 1.00 2.72 C ATOM 426 CD2 LEU A 30 14.125 -4.867 -0.441 1.00 1.81 C ATOM 0 H LEU A 30 15.983 -0.951 -1.573 1.00 0.61 H new ATOM 0 HA LEU A 30 15.564 -2.813 -3.821 1.00 0.65 H new ATOM 0 HB2 LEU A 30 14.331 -2.369 -1.118 1.00 0.78 H new ATOM 0 HB3 LEU A 30 13.299 -2.970 -2.401 1.00 0.78 H new ATOM 0 HG LEU A 30 14.439 -4.975 -2.582 1.00 0.93 H new ATOM 0 HD11 LEU A 30 16.505 -5.653 -1.475 1.00 2.72 H new ATOM 0 HD12 LEU A 30 16.726 -4.358 -2.676 1.00 2.72 H new ATOM 0 HD13 LEU A 30 16.746 -3.973 -0.938 1.00 2.72 H new ATOM 0 HD21 LEU A 30 14.450 -5.886 -0.230 1.00 1.81 H new ATOM 0 HD22 LEU A 30 14.417 -4.215 0.383 1.00 1.81 H new ATOM 0 HD23 LEU A 30 13.041 -4.847 -0.553 1.00 1.81 H new ATOM 438 N ARG A 31 13.564 -1.642 -4.840 1.00 0.64 N ATOM 439 CA ARG A 31 12.604 -0.905 -5.675 1.00 0.57 C ATOM 440 C ARG A 31 11.324 -1.716 -5.837 1.00 0.57 C ATOM 441 O ARG A 31 11.351 -2.781 -6.456 1.00 0.59 O ATOM 442 CB ARG A 31 13.214 -0.597 -7.049 1.00 0.55 C ATOM 443 CG ARG A 31 12.465 0.551 -7.744 1.00 0.61 C ATOM 444 CD ARG A 31 13.152 1.034 -9.036 1.00 0.68 C ATOM 445 NE ARG A 31 13.629 2.430 -8.942 1.00 1.48 N ATOM 446 CZ ARG A 31 14.601 2.908 -8.168 1.00 1.83 C ATOM 447 NH1 ARG A 31 15.396 2.122 -7.478 1.00 2.41 N ATOM 448 NH2 ARG A 31 14.770 4.205 -8.046 1.00 3.20 N ATOM 0 H ARG A 31 13.677 -2.613 -5.132 1.00 0.64 H new ATOM 0 HA ARG A 31 12.366 0.038 -5.184 1.00 0.57 H new ATOM 0 HB2 ARG A 31 14.265 -0.331 -6.932 1.00 0.55 H new ATOM 0 HB3 ARG A 31 13.178 -1.489 -7.674 1.00 0.55 H new ATOM 0 HG2 ARG A 31 11.452 0.224 -7.980 1.00 0.61 H new ATOM 0 HG3 ARG A 31 12.377 1.389 -7.053 1.00 0.61 H new ATOM 0 HD2 ARG A 31 13.995 0.381 -9.260 1.00 0.68 H new ATOM 0 HD3 ARG A 31 12.453 0.949 -9.868 1.00 0.68 H new ATOM 0 HE ARG A 31 13.157 3.107 -9.541 1.00 1.48 H new ATOM 0 HH11 ARG A 31 15.279 1.110 -7.525 1.00 2.41 H new ATOM 0 HH12 ARG A 31 16.130 2.524 -6.895 1.00 2.41 H new ATOM 0 HH21 ARG A 31 14.156 4.849 -8.545 1.00 3.20 H new ATOM 0 HH22 ARG A 31 15.515 4.569 -7.452 1.00 3.20 H new ATOM 462 N LEU A 32 10.223 -1.237 -5.268 1.00 0.57 N ATOM 463 CA LEU A 32 8.915 -1.888 -5.257 1.00 0.58 C ATOM 464 C LEU A 32 8.109 -1.398 -6.460 1.00 0.57 C ATOM 465 O LEU A 32 7.770 -0.224 -6.517 1.00 0.59 O ATOM 466 CB LEU A 32 8.263 -1.524 -3.916 1.00 0.60 C ATOM 467 CG LEU A 32 6.876 -2.141 -3.662 1.00 0.67 C ATOM 468 CD1 LEU A 32 6.966 -3.649 -3.389 1.00 1.75 C ATOM 469 CD2 LEU A 32 6.250 -1.430 -2.455 1.00 1.54 C ATOM 0 H LEU A 32 10.217 -0.342 -4.778 1.00 0.57 H new ATOM 0 HA LEU A 32 8.976 -2.973 -5.343 1.00 0.58 H new ATOM 0 HB2 LEU A 32 8.931 -1.833 -3.112 1.00 0.60 H new ATOM 0 HB3 LEU A 32 8.174 -0.439 -3.858 1.00 0.60 H new ATOM 0 HG LEU A 32 6.261 -2.009 -4.553 1.00 0.67 H new ATOM 0 HD11 LEU A 32 5.967 -4.047 -3.215 1.00 1.75 H new ATOM 0 HD12 LEU A 32 7.411 -4.149 -4.250 1.00 1.75 H new ATOM 0 HD13 LEU A 32 7.585 -3.823 -2.509 1.00 1.75 H new ATOM 0 HD21 LEU A 32 5.265 -1.851 -2.256 1.00 1.54 H new ATOM 0 HD22 LEU A 32 6.887 -1.567 -1.581 1.00 1.54 H new ATOM 0 HD23 LEU A 32 6.153 -0.366 -2.670 1.00 1.54 H new ATOM 481 N VAL A 33 7.827 -2.282 -7.411 1.00 0.57 N ATOM 482 CA VAL A 33 7.233 -1.950 -8.725 1.00 0.61 C ATOM 483 C VAL A 33 5.791 -2.490 -8.852 1.00 0.68 C ATOM 484 O VAL A 33 5.063 -2.111 -9.763 1.00 0.76 O ATOM 485 CB VAL A 33 8.103 -2.515 -9.881 1.00 0.65 C ATOM 486 CG1 VAL A 33 9.549 -1.981 -9.824 1.00 0.58 C ATOM 487 CG2 VAL A 33 8.186 -4.055 -9.902 1.00 0.70 C ATOM 0 H VAL A 33 8.006 -3.280 -7.298 1.00 0.57 H new ATOM 0 HA VAL A 33 7.200 -0.863 -8.796 1.00 0.61 H new ATOM 0 HB VAL A 33 7.596 -2.176 -10.784 1.00 0.65 H new ATOM 0 HG11 VAL A 33 10.124 -2.400 -10.649 1.00 0.58 H new ATOM 0 HG12 VAL A 33 9.539 -0.894 -9.904 1.00 0.58 H new ATOM 0 HG13 VAL A 33 10.007 -2.271 -8.878 1.00 0.58 H new ATOM 0 HG21 VAL A 33 8.810 -4.374 -10.737 1.00 0.70 H new ATOM 0 HG22 VAL A 33 8.621 -4.409 -8.967 1.00 0.70 H new ATOM 0 HG23 VAL A 33 7.185 -4.472 -10.017 1.00 0.70 H new ATOM 497 N GLY A 34 5.402 -3.417 -7.960 1.00 0.66 N ATOM 498 CA GLY A 34 4.110 -4.104 -7.944 1.00 0.72 C ATOM 499 C GLY A 34 3.732 -4.671 -6.574 1.00 0.70 C ATOM 500 O GLY A 34 4.500 -4.588 -5.612 1.00 0.67 O ATOM 0 H GLY A 34 6.011 -3.717 -7.199 1.00 0.66 H new ATOM 0 HA2 GLY A 34 3.335 -3.409 -8.266 1.00 0.72 H new ATOM 0 HA3 GLY A 34 4.131 -4.916 -8.670 1.00 0.72 H new ATOM 504 N ALA A 35 2.578 -5.339 -6.523 1.00 0.74 N ATOM 505 CA ALA A 35 2.115 -6.173 -5.407 1.00 0.73 C ATOM 506 C ALA A 35 1.091 -7.239 -5.854 1.00 0.73 C ATOM 507 O ALA A 35 0.749 -7.337 -7.033 1.00 0.77 O ATOM 508 CB ALA A 35 1.579 -5.282 -4.281 1.00 0.70 C ATOM 0 H ALA A 35 1.909 -5.314 -7.292 1.00 0.74 H new ATOM 0 HA ALA A 35 2.967 -6.734 -5.022 1.00 0.73 H new ATOM 0 HB1 ALA A 35 1.237 -5.906 -3.455 1.00 0.70 H new ATOM 0 HB2 ALA A 35 2.372 -4.621 -3.932 1.00 0.70 H new ATOM 0 HB3 ALA A 35 0.747 -4.685 -4.654 1.00 0.70 H new ATOM 514 N ARG A 36 0.605 -8.043 -4.903 1.00 0.73 N ATOM 515 CA ARG A 36 -0.402 -9.097 -5.059 1.00 0.73 C ATOM 516 C ARG A 36 -1.055 -9.356 -3.690 1.00 0.72 C ATOM 517 O ARG A 36 -0.408 -9.153 -2.666 1.00 0.74 O ATOM 518 CB ARG A 36 0.291 -10.341 -5.655 1.00 0.83 C ATOM 519 CG ARG A 36 -0.607 -11.584 -5.744 1.00 1.42 C ATOM 520 CD ARG A 36 0.143 -12.809 -6.285 1.00 1.51 C ATOM 521 NE ARG A 36 0.698 -13.638 -5.199 1.00 2.99 N ATOM 522 CZ ARG A 36 0.804 -14.959 -5.183 1.00 3.83 C ATOM 523 NH1 ARG A 36 0.519 -15.715 -6.228 1.00 3.69 N ATOM 524 NH2 ARG A 36 1.207 -15.534 -4.073 1.00 5.65 N ATOM 0 H ARG A 36 0.927 -7.969 -3.938 1.00 0.73 H new ATOM 0 HA ARG A 36 -1.200 -8.811 -5.744 1.00 0.73 H new ATOM 0 HB2 ARG A 36 0.653 -10.097 -6.654 1.00 0.83 H new ATOM 0 HB3 ARG A 36 1.164 -10.581 -5.049 1.00 0.83 H new ATOM 0 HG2 ARG A 36 -1.006 -11.813 -4.756 1.00 1.42 H new ATOM 0 HG3 ARG A 36 -1.459 -11.368 -6.389 1.00 1.42 H new ATOM 0 HD2 ARG A 36 -0.534 -13.411 -6.891 1.00 1.51 H new ATOM 0 HD3 ARG A 36 0.950 -12.481 -6.940 1.00 1.51 H new ATOM 0 HE ARG A 36 1.036 -13.143 -4.374 1.00 2.99 H new ATOM 0 HH11 ARG A 36 0.201 -15.285 -7.097 1.00 3.69 H new ATOM 0 HH12 ARG A 36 0.617 -16.728 -6.166 1.00 3.69 H new ATOM 0 HH21 ARG A 36 1.428 -14.966 -3.255 1.00 5.65 H new ATOM 0 HH22 ARG A 36 1.299 -16.549 -4.029 1.00 5.65 H new ATOM 538 N THR A 37 -2.309 -9.821 -3.637 1.00 0.88 N ATOM 539 CA THR A 37 -3.015 -10.147 -2.378 1.00 0.84 C ATOM 540 C THR A 37 -4.186 -11.092 -2.638 1.00 0.90 C ATOM 541 O THR A 37 -4.761 -11.010 -3.724 1.00 1.01 O ATOM 542 CB THR A 37 -3.445 -8.868 -1.641 1.00 0.79 C ATOM 543 OG1 THR A 37 -4.337 -9.156 -0.600 1.00 0.86 O ATOM 544 CG2 THR A 37 -4.164 -7.847 -2.520 1.00 0.86 C ATOM 0 H THR A 37 -2.873 -9.985 -4.471 1.00 0.88 H new ATOM 0 HA THR A 37 -2.323 -10.673 -1.720 1.00 0.84 H new ATOM 0 HB THR A 37 -2.504 -8.449 -1.286 1.00 0.79 H new ATOM 0 HG1 THR A 37 -3.844 -9.225 0.244 1.00 0.86 H new ATOM 0 HG21 THR A 37 -4.432 -6.976 -1.922 1.00 0.86 H new ATOM 0 HG22 THR A 37 -3.506 -7.540 -3.333 1.00 0.86 H new ATOM 0 HG23 THR A 37 -5.068 -8.295 -2.933 1.00 0.86 H new ATOM 552 N PRO A 38 -4.562 -11.961 -1.672 1.00 0.90 N ATOM 553 CA PRO A 38 -5.740 -12.826 -1.751 1.00 0.98 C ATOM 554 C PRO A 38 -7.065 -12.074 -1.606 1.00 1.04 C ATOM 555 O PRO A 38 -8.127 -12.685 -1.645 1.00 1.27 O ATOM 556 CB PRO A 38 -5.566 -13.832 -0.620 1.00 0.99 C ATOM 557 CG PRO A 38 -4.791 -13.068 0.444 1.00 0.99 C ATOM 558 CD PRO A 38 -3.865 -12.204 -0.409 1.00 0.91 C ATOM 0 HA PRO A 38 -5.799 -13.292 -2.735 1.00 0.98 H new ATOM 0 HB2 PRO A 38 -6.529 -14.176 -0.241 1.00 0.99 H new ATOM 0 HB3 PRO A 38 -5.020 -14.715 -0.953 1.00 0.99 H new ATOM 0 HG2 PRO A 38 -5.446 -12.467 1.075 1.00 0.99 H new ATOM 0 HG3 PRO A 38 -4.236 -13.735 1.104 1.00 0.99 H new ATOM 0 HD2 PRO A 38 -3.639 -11.264 0.095 1.00 0.91 H new ATOM 0 HD3 PRO A 38 -2.915 -12.709 -0.582 1.00 0.91 H new ATOM 566 N VAL A 39 -7.014 -10.759 -1.431 1.00 1.00 N ATOM 567 CA VAL A 39 -8.165 -9.846 -1.547 1.00 1.15 C ATOM 568 C VAL A 39 -7.963 -8.861 -2.701 1.00 1.02 C ATOM 569 O VAL A 39 -8.193 -7.662 -2.570 1.00 1.32 O ATOM 570 CB VAL A 39 -8.479 -9.130 -0.205 1.00 1.51 C ATOM 571 CG1 VAL A 39 -9.055 -10.133 0.795 1.00 1.77 C ATOM 572 CG2 VAL A 39 -7.265 -8.435 0.434 1.00 1.41 C ATOM 0 H VAL A 39 -6.147 -10.275 -1.197 1.00 1.00 H new ATOM 0 HA VAL A 39 -9.044 -10.446 -1.781 1.00 1.15 H new ATOM 0 HB VAL A 39 -9.201 -8.349 -0.446 1.00 1.51 H new ATOM 0 HG11 VAL A 39 -9.273 -9.625 1.735 1.00 1.77 H new ATOM 0 HG12 VAL A 39 -9.973 -10.562 0.392 1.00 1.77 H new ATOM 0 HG13 VAL A 39 -8.330 -10.928 0.972 1.00 1.77 H new ATOM 0 HG21 VAL A 39 -7.567 -7.959 1.367 1.00 1.41 H new ATOM 0 HG22 VAL A 39 -6.489 -9.173 0.638 1.00 1.41 H new ATOM 0 HG23 VAL A 39 -6.877 -7.680 -0.249 1.00 1.41 H new ATOM 582 N ALA A 40 -7.609 -9.389 -3.876 1.00 0.72 N ATOM 583 CA ALA A 40 -7.756 -8.690 -5.148 1.00 0.70 C ATOM 584 C ALA A 40 -7.778 -9.661 -6.340 1.00 0.73 C ATOM 585 O ALA A 40 -7.401 -10.824 -6.247 1.00 1.13 O ATOM 586 CB ALA A 40 -6.639 -7.639 -5.304 1.00 0.99 C ATOM 0 H ALA A 40 -7.209 -10.323 -3.968 1.00 0.72 H new ATOM 0 HA ALA A 40 -8.720 -8.180 -5.143 1.00 0.70 H new ATOM 0 HB1 ALA A 40 -6.756 -7.122 -6.256 1.00 0.99 H new ATOM 0 HB2 ALA A 40 -6.702 -6.918 -4.489 1.00 0.99 H new ATOM 0 HB3 ALA A 40 -5.668 -8.133 -5.277 1.00 0.99 H new ATOM 592 N GLU A 41 -8.223 -9.131 -7.469 1.00 0.68 N ATOM 593 CA GLU A 41 -8.067 -9.656 -8.824 1.00 0.82 C ATOM 594 C GLU A 41 -6.995 -8.879 -9.606 1.00 0.84 C ATOM 595 O GLU A 41 -6.308 -9.437 -10.459 1.00 1.20 O ATOM 596 CB GLU A 41 -9.423 -9.479 -9.506 1.00 0.95 C ATOM 597 CG GLU A 41 -9.580 -10.297 -10.783 1.00 1.25 C ATOM 598 CD GLU A 41 -11.027 -10.163 -11.221 1.00 2.69 C ATOM 599 OE1 GLU A 41 -11.841 -10.954 -10.703 1.00 3.17 O ATOM 600 OE2 GLU A 41 -11.314 -9.184 -11.948 1.00 4.12 O ATOM 0 H GLU A 41 -8.744 -8.254 -7.465 1.00 0.68 H new ATOM 0 HA GLU A 41 -7.751 -10.699 -8.795 1.00 0.82 H new ATOM 0 HB2 GLU A 41 -10.211 -9.760 -8.807 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -9.566 -8.424 -9.741 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -8.907 -9.933 -11.559 1.00 1.25 H new ATOM 0 HG3 GLU A 41 -9.326 -11.342 -10.605 1.00 1.25 H new ATOM 607 N ARG A 42 -6.839 -7.585 -9.290 1.00 0.68 N ATOM 608 CA ARG A 42 -5.783 -6.707 -9.786 1.00 0.86 C ATOM 609 C ARG A 42 -5.461 -5.650 -8.729 1.00 0.82 C ATOM 610 O ARG A 42 -6.358 -5.154 -8.051 1.00 1.10 O ATOM 611 CB ARG A 42 -6.180 -6.092 -11.141 1.00 1.52 C ATOM 612 CG ARG A 42 -7.440 -5.203 -11.089 1.00 1.34 C ATOM 613 CD ARG A 42 -7.986 -4.840 -12.480 1.00 1.68 C ATOM 614 NE ARG A 42 -8.383 -6.029 -13.261 1.00 2.74 N ATOM 615 CZ ARG A 42 -9.381 -6.864 -12.983 1.00 4.42 C ATOM 616 NH1 ARG A 42 -10.296 -6.637 -12.068 1.00 5.51 N ATOM 617 NH2 ARG A 42 -9.498 -8.002 -13.616 1.00 5.69 N ATOM 0 H ARG A 42 -7.476 -7.106 -8.653 1.00 0.68 H new ATOM 0 HA ARG A 42 -4.875 -7.284 -9.964 1.00 0.86 H new ATOM 0 HB2 ARG A 42 -5.346 -5.499 -11.516 1.00 1.52 H new ATOM 0 HB3 ARG A 42 -6.346 -6.897 -11.857 1.00 1.52 H new ATOM 0 HG2 ARG A 42 -8.217 -5.719 -10.525 1.00 1.34 H new ATOM 0 HG3 ARG A 42 -7.207 -4.286 -10.547 1.00 1.34 H new ATOM 0 HD2 ARG A 42 -8.846 -4.179 -12.368 1.00 1.68 H new ATOM 0 HD3 ARG A 42 -7.227 -4.285 -13.031 1.00 1.68 H new ATOM 0 HE ARG A 42 -7.837 -6.231 -14.098 1.00 2.74 H new ATOM 0 HH11 ARG A 42 -10.267 -5.777 -11.520 1.00 5.51 H new ATOM 0 HH12 ARG A 42 -11.035 -7.321 -11.905 1.00 5.51 H new ATOM 0 HH21 ARG A 42 -8.819 -8.259 -14.333 1.00 5.69 H new ATOM 0 HH22 ARG A 42 -10.268 -8.633 -13.393 1.00 5.69 H new ATOM 631 N VAL A 43 -4.178 -5.345 -8.568 1.00 0.75 N ATOM 632 CA VAL A 43 -3.667 -4.287 -7.686 1.00 0.75 C ATOM 633 C VAL A 43 -3.342 -3.040 -8.527 1.00 1.02 C ATOM 634 O VAL A 43 -3.271 -3.128 -9.753 1.00 1.68 O ATOM 635 CB VAL A 43 -2.440 -4.798 -6.888 1.00 0.97 C ATOM 636 CG1 VAL A 43 -1.115 -4.711 -7.665 1.00 1.47 C ATOM 637 CG2 VAL A 43 -2.299 -4.099 -5.529 1.00 0.84 C ATOM 0 H VAL A 43 -3.436 -5.841 -9.062 1.00 0.75 H new ATOM 0 HA VAL A 43 -4.425 -4.010 -6.954 1.00 0.75 H new ATOM 0 HB VAL A 43 -2.643 -5.856 -6.719 1.00 0.97 H new ATOM 0 HG11 VAL A 43 -0.303 -5.086 -7.042 1.00 1.47 H new ATOM 0 HG12 VAL A 43 -1.185 -5.312 -8.572 1.00 1.47 H new ATOM 0 HG13 VAL A 43 -0.918 -3.673 -7.932 1.00 1.47 H new ATOM 0 HG21 VAL A 43 -1.426 -4.490 -5.007 1.00 0.84 H new ATOM 0 HG22 VAL A 43 -2.180 -3.026 -5.682 1.00 0.84 H new ATOM 0 HG23 VAL A 43 -3.191 -4.283 -4.931 1.00 0.84 H new ATOM 647 N GLU A 44 -3.115 -1.905 -7.867 1.00 0.63 N ATOM 648 CA GLU A 44 -2.719 -0.617 -8.445 1.00 0.69 C ATOM 649 C GLU A 44 -1.804 0.100 -7.433 1.00 0.58 C ATOM 650 O GLU A 44 -1.946 -0.142 -6.232 1.00 0.69 O ATOM 651 CB GLU A 44 -3.995 0.190 -8.763 1.00 0.81 C ATOM 652 CG GLU A 44 -4.075 0.657 -10.217 1.00 1.57 C ATOM 653 CD GLU A 44 -3.331 1.969 -10.413 1.00 3.09 C ATOM 654 OE1 GLU A 44 -2.087 1.959 -10.280 1.00 4.30 O ATOM 655 OE2 GLU A 44 -4.026 2.994 -10.601 1.00 4.05 O ATOM 0 H GLU A 44 -3.208 -1.855 -6.852 1.00 0.63 H new ATOM 0 HA GLU A 44 -2.164 -0.738 -9.376 1.00 0.69 H new ATOM 0 HB2 GLU A 44 -4.868 -0.422 -8.538 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -4.038 1.060 -8.107 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -3.652 -0.106 -10.871 1.00 1.57 H new ATOM 0 HG3 GLU A 44 -5.119 0.781 -10.505 1.00 1.57 H new ATOM 662 N LEU A 45 -0.865 0.946 -7.875 1.00 0.80 N ATOM 663 CA LEU A 45 0.165 1.548 -7.006 1.00 0.74 C ATOM 664 C LEU A 45 0.084 3.074 -7.026 1.00 0.61 C ATOM 665 O LEU A 45 0.368 3.720 -8.036 1.00 0.65 O ATOM 666 CB LEU A 45 1.566 1.054 -7.422 1.00 1.16 C ATOM 667 CG LEU A 45 2.725 1.764 -6.684 1.00 0.74 C ATOM 668 CD1 LEU A 45 2.699 1.603 -5.156 1.00 0.87 C ATOM 669 CD2 LEU A 45 4.070 1.246 -7.207 1.00 1.11 C ATOM 0 H LEU A 45 -0.795 1.236 -8.850 1.00 0.80 H new ATOM 0 HA LEU A 45 -0.020 1.230 -5.980 1.00 0.74 H new ATOM 0 HB2 LEU A 45 1.633 -0.018 -7.236 1.00 1.16 H new ATOM 0 HB3 LEU A 45 1.688 1.200 -8.495 1.00 1.16 H new ATOM 0 HG LEU A 45 2.594 2.826 -6.891 1.00 0.74 H new ATOM 0 HD11 LEU A 45 3.546 2.132 -4.720 1.00 0.87 H new ATOM 0 HD12 LEU A 45 1.771 2.018 -4.762 1.00 0.87 H new ATOM 0 HD13 LEU A 45 2.761 0.545 -4.900 1.00 0.87 H new ATOM 0 HD21 LEU A 45 4.882 1.750 -6.683 1.00 1.11 H new ATOM 0 HD22 LEU A 45 4.138 0.172 -7.035 1.00 1.11 H new ATOM 0 HD23 LEU A 45 4.147 1.448 -8.275 1.00 1.11 H new ATOM 681 N HIS A 46 -0.255 3.658 -5.877 1.00 0.58 N ATOM 682 CA HIS A 46 -0.573 5.075 -5.718 1.00 0.58 C ATOM 683 C HIS A 46 0.295 5.828 -4.693 1.00 0.63 C ATOM 684 O HIS A 46 0.833 5.278 -3.726 1.00 0.72 O ATOM 685 CB HIS A 46 -2.049 5.199 -5.294 1.00 0.60 C ATOM 686 CG HIS A 46 -3.109 4.723 -6.253 1.00 0.59 C ATOM 687 ND1 HIS A 46 -4.458 4.628 -5.938 1.00 0.59 N ATOM 688 CD2 HIS A 46 -2.966 4.318 -7.547 1.00 0.65 C ATOM 689 CE1 HIS A 46 -5.094 4.198 -7.030 1.00 0.65 C ATOM 690 NE2 HIS A 46 -4.216 4.010 -8.027 1.00 0.72 N ATOM 0 H HIS A 46 -0.318 3.139 -5.001 1.00 0.58 H new ATOM 0 HA HIS A 46 -0.368 5.539 -6.683 1.00 0.58 H new ATOM 0 HB2 HIS A 46 -2.174 4.650 -4.361 1.00 0.60 H new ATOM 0 HB3 HIS A 46 -2.245 6.249 -5.075 1.00 0.60 H new ATOM 0 HD2 HIS A 46 -2.038 4.251 -8.095 1.00 0.65 H new ATOM 0 HE1 HIS A 46 -6.158 4.027 -7.101 1.00 0.65 H new ATOM 0 HE2 HIS A 46 -4.437 3.695 -8.972 1.00 0.72 H new ATOM 698 N GLU A 47 0.335 7.142 -4.892 1.00 0.63 N ATOM 699 CA GLU A 47 0.672 8.172 -3.913 1.00 0.68 C ATOM 700 C GLU A 47 -0.591 8.792 -3.277 1.00 0.77 C ATOM 701 O GLU A 47 -1.719 8.370 -3.561 1.00 1.00 O ATOM 702 CB GLU A 47 1.646 9.173 -4.566 1.00 0.72 C ATOM 703 CG GLU A 47 1.231 9.986 -5.800 1.00 0.91 C ATOM 704 CD GLU A 47 0.264 11.125 -5.529 1.00 1.45 C ATOM 705 OE1 GLU A 47 -0.921 10.808 -5.283 1.00 3.05 O ATOM 706 OE2 GLU A 47 0.676 12.292 -5.686 1.00 2.08 O ATOM 0 H GLU A 47 0.118 7.543 -5.804 1.00 0.63 H new ATOM 0 HA GLU A 47 1.194 7.740 -3.059 1.00 0.68 H new ATOM 0 HB2 GLU A 47 1.935 9.887 -3.795 1.00 0.72 H new ATOM 0 HB3 GLU A 47 2.543 8.616 -4.837 1.00 0.72 H new ATOM 0 HG2 GLU A 47 2.128 10.395 -6.264 1.00 0.91 H new ATOM 0 HG3 GLU A 47 0.777 9.310 -6.525 1.00 0.91 H new ATOM 713 N THR A 48 -0.420 9.772 -2.381 1.00 0.79 N ATOM 714 CA THR A 48 -1.476 10.717 -1.961 1.00 0.73 C ATOM 715 C THR A 48 -0.818 12.069 -1.697 1.00 0.70 C ATOM 716 O THR A 48 0.347 12.100 -1.295 1.00 0.75 O ATOM 717 CB THR A 48 -2.223 10.161 -0.745 1.00 0.69 C ATOM 718 OG1 THR A 48 -2.969 9.080 -1.242 1.00 0.73 O ATOM 719 CG2 THR A 48 -3.200 11.117 -0.060 1.00 0.78 C ATOM 0 H THR A 48 0.472 9.938 -1.915 1.00 0.79 H new ATOM 0 HA THR A 48 -2.227 10.850 -2.740 1.00 0.73 H new ATOM 0 HB THR A 48 -1.480 9.923 0.017 1.00 0.69 H new ATOM 0 HG1 THR A 48 -2.655 8.852 -2.142 1.00 0.73 H new ATOM 0 HG21 THR A 48 -3.669 10.614 0.786 1.00 0.78 H new ATOM 0 HG22 THR A 48 -2.661 11.996 0.294 1.00 0.78 H new ATOM 0 HG23 THR A 48 -3.968 11.424 -0.771 1.00 0.78 H new ATOM 727 N PHE A 49 -1.538 13.172 -1.936 1.00 0.71 N ATOM 728 CA PHE A 49 -0.976 14.528 -1.917 1.00 0.73 C ATOM 729 C PHE A 49 -1.972 15.631 -1.548 1.00 0.70 C ATOM 730 O PHE A 49 -3.190 15.466 -1.550 1.00 0.64 O ATOM 731 CB PHE A 49 -0.313 14.861 -3.267 1.00 0.81 C ATOM 732 CG PHE A 49 -1.249 15.041 -4.459 1.00 0.84 C ATOM 733 CD1 PHE A 49 -1.883 13.932 -5.044 1.00 1.72 C ATOM 734 CD2 PHE A 49 -1.458 16.314 -5.022 1.00 2.27 C ATOM 735 CE1 PHE A 49 -2.707 14.082 -6.169 1.00 1.68 C ATOM 736 CE2 PHE A 49 -2.305 16.470 -6.136 1.00 2.38 C ATOM 737 CZ PHE A 49 -2.942 15.356 -6.704 1.00 1.04 C ATOM 0 H PHE A 49 -2.535 13.148 -2.150 1.00 0.71 H new ATOM 0 HA PHE A 49 -0.234 14.512 -1.119 1.00 0.73 H new ATOM 0 HB2 PHE A 49 0.266 15.777 -3.146 1.00 0.81 H new ATOM 0 HB3 PHE A 49 0.394 14.066 -3.505 1.00 0.81 H new ATOM 0 HD1 PHE A 49 -1.734 12.950 -4.621 1.00 1.72 H new ATOM 0 HD2 PHE A 49 -0.966 17.176 -4.597 1.00 2.27 H new ATOM 0 HE1 PHE A 49 -3.161 13.214 -6.624 1.00 1.68 H new ATOM 0 HE2 PHE A 49 -2.465 17.452 -6.556 1.00 2.38 H new ATOM 0 HZ PHE A 49 -3.607 15.479 -7.546 1.00 1.04 H new ATOM 747 N MET A 50 -1.421 16.815 -1.276 1.00 0.80 N ATOM 748 CA MET A 50 -2.154 18.055 -1.044 1.00 0.84 C ATOM 749 C MET A 50 -2.139 18.939 -2.300 1.00 0.81 C ATOM 750 O MET A 50 -1.119 19.058 -2.983 1.00 0.84 O ATOM 751 CB MET A 50 -1.533 18.762 0.170 1.00 0.99 C ATOM 752 CG MET A 50 -2.313 20.035 0.485 1.00 1.82 C ATOM 753 SD MET A 50 -1.854 20.883 2.017 1.00 2.23 S ATOM 754 CE MET A 50 -0.205 21.475 1.560 1.00 3.25 C ATOM 0 H MET A 50 -0.411 16.938 -1.209 1.00 0.80 H new ATOM 0 HA MET A 50 -3.202 17.842 -0.831 1.00 0.84 H new ATOM 0 HB2 MET A 50 -1.542 18.097 1.033 1.00 0.99 H new ATOM 0 HB3 MET A 50 -0.490 19.005 -0.034 1.00 0.99 H new ATOM 0 HG2 MET A 50 -2.186 20.730 -0.345 1.00 1.82 H new ATOM 0 HG3 MET A 50 -3.373 19.786 0.534 1.00 1.82 H new ATOM 0 HE1 MET A 50 0.207 22.069 2.376 1.00 3.25 H new ATOM 0 HE2 MET A 50 0.447 20.623 1.366 1.00 3.25 H new ATOM 0 HE3 MET A 50 -0.275 22.090 0.663 1.00 3.25 H new ATOM 764 N ARG A 51 -3.268 19.590 -2.589 1.00 0.82 N ATOM 765 CA ARG A 51 -3.457 20.509 -3.709 1.00 0.82 C ATOM 766 C ARG A 51 -4.430 21.642 -3.366 1.00 0.88 C ATOM 767 O ARG A 51 -5.026 21.675 -2.289 1.00 1.17 O ATOM 768 CB ARG A 51 -3.930 19.687 -4.927 1.00 0.88 C ATOM 769 CG ARG A 51 -3.267 20.107 -6.245 1.00 1.30 C ATOM 770 CD ARG A 51 -1.733 20.065 -6.146 1.00 3.12 C ATOM 771 NE ARG A 51 -1.062 19.768 -7.426 1.00 3.67 N ATOM 772 CZ ARG A 51 0.158 19.247 -7.545 1.00 5.29 C ATOM 773 NH1 ARG A 51 0.885 18.928 -6.489 1.00 6.81 N ATOM 774 NH2 ARG A 51 0.666 19.043 -8.743 1.00 5.95 N ATOM 0 H ARG A 51 -4.110 19.485 -2.023 1.00 0.82 H new ATOM 0 HA ARG A 51 -2.512 21.000 -3.943 1.00 0.82 H new ATOM 0 HB2 ARG A 51 -3.723 18.632 -4.746 1.00 0.88 H new ATOM 0 HB3 ARG A 51 -5.011 19.788 -5.025 1.00 0.88 H new ATOM 0 HG2 ARG A 51 -3.599 19.447 -7.046 1.00 1.30 H new ATOM 0 HG3 ARG A 51 -3.588 21.115 -6.509 1.00 1.30 H new ATOM 0 HD2 ARG A 51 -1.376 21.025 -5.773 1.00 3.12 H new ATOM 0 HD3 ARG A 51 -1.446 19.312 -5.413 1.00 3.12 H new ATOM 0 HE ARG A 51 -1.571 19.978 -8.285 1.00 3.67 H new ATOM 0 HH11 ARG A 51 0.515 19.079 -5.551 1.00 6.81 H new ATOM 0 HH12 ARG A 51 1.816 18.531 -6.612 1.00 6.81 H new ATOM 0 HH21 ARG A 51 0.126 19.284 -9.574 1.00 5.95 H new ATOM 0 HH22 ARG A 51 1.600 18.644 -8.840 1.00 5.95 H new ATOM 788 N GLU A 52 -4.605 22.576 -4.292 1.00 0.93 N ATOM 789 CA GLU A 52 -5.458 23.734 -4.180 1.00 1.05 C ATOM 790 C GLU A 52 -6.012 24.008 -5.574 1.00 0.95 C ATOM 791 O GLU A 52 -5.264 23.940 -6.548 1.00 1.11 O ATOM 792 CB GLU A 52 -4.606 24.875 -3.626 1.00 1.52 C ATOM 793 CG GLU A 52 -5.357 26.198 -3.618 1.00 1.42 C ATOM 794 CD GLU A 52 -5.098 26.947 -2.318 1.00 1.46 C ATOM 795 OE1 GLU A 52 -3.920 27.079 -1.921 1.00 2.17 O ATOM 796 OE2 GLU A 52 -6.075 27.276 -1.609 1.00 2.15 O ATOM 0 H GLU A 52 -4.124 22.536 -5.190 1.00 0.93 H new ATOM 0 HA GLU A 52 -6.302 23.601 -3.504 1.00 1.05 H new ATOM 0 HB2 GLU A 52 -4.290 24.632 -2.611 1.00 1.52 H new ATOM 0 HB3 GLU A 52 -3.701 24.976 -4.226 1.00 1.52 H new ATOM 0 HG2 GLU A 52 -5.042 26.807 -4.465 1.00 1.42 H new ATOM 0 HG3 GLU A 52 -6.426 26.018 -3.735 1.00 1.42 H new ATOM 803 N VAL A 53 -7.319 24.244 -5.657 1.00 0.95 N ATOM 804 CA VAL A 53 -8.100 24.324 -6.898 1.00 1.07 C ATOM 805 C VAL A 53 -9.255 25.295 -6.651 1.00 1.30 C ATOM 806 O VAL A 53 -9.811 25.303 -5.558 1.00 1.57 O ATOM 807 CB VAL A 53 -8.622 22.935 -7.352 1.00 1.26 C ATOM 808 CG1 VAL A 53 -7.487 22.076 -7.941 1.00 2.68 C ATOM 809 CG2 VAL A 53 -9.280 22.127 -6.213 1.00 2.18 C ATOM 0 H VAL A 53 -7.892 24.392 -4.826 1.00 0.95 H new ATOM 0 HA VAL A 53 -7.464 24.681 -7.708 1.00 1.07 H new ATOM 0 HB VAL A 53 -9.377 23.152 -8.108 1.00 1.26 H new ATOM 0 HG11 VAL A 53 -7.885 21.109 -8.250 1.00 2.68 H new ATOM 0 HG12 VAL A 53 -7.057 22.584 -8.804 1.00 2.68 H new ATOM 0 HG13 VAL A 53 -6.715 21.926 -7.186 1.00 2.68 H new ATOM 0 HG21 VAL A 53 -9.623 21.167 -6.599 1.00 2.18 H new ATOM 0 HG22 VAL A 53 -8.553 21.960 -5.418 1.00 2.18 H new ATOM 0 HG23 VAL A 53 -10.130 22.683 -5.816 1.00 2.18 H new ATOM 819 N GLU A 54 -9.522 26.194 -7.606 1.00 1.55 N ATOM 820 CA GLU A 54 -10.489 27.307 -7.498 1.00 1.81 C ATOM 821 C GLU A 54 -10.168 28.318 -6.374 1.00 1.80 C ATOM 822 O GLU A 54 -11.013 29.135 -6.014 1.00 1.99 O ATOM 823 CB GLU A 54 -11.934 26.795 -7.338 1.00 2.00 C ATOM 824 CG GLU A 54 -12.395 25.769 -8.390 1.00 2.57 C ATOM 825 CD GLU A 54 -12.794 24.473 -7.698 1.00 3.33 C ATOM 826 OE1 GLU A 54 -11.891 23.693 -7.335 1.00 4.32 O ATOM 827 OE2 GLU A 54 -13.979 24.314 -7.332 1.00 3.66 O ATOM 0 H GLU A 54 -9.055 26.170 -8.513 1.00 1.55 H new ATOM 0 HA GLU A 54 -10.395 27.844 -8.442 1.00 1.81 H new ATOM 0 HB2 GLU A 54 -12.034 26.346 -6.350 1.00 2.00 H new ATOM 0 HB3 GLU A 54 -12.609 27.650 -7.370 1.00 2.00 H new ATOM 0 HG2 GLU A 54 -13.238 26.166 -8.955 1.00 2.57 H new ATOM 0 HG3 GLU A 54 -11.594 25.580 -9.104 1.00 2.57 H new ATOM 834 N GLY A 55 -8.964 28.254 -5.794 1.00 1.65 N ATOM 835 CA GLY A 55 -8.580 29.028 -4.604 1.00 1.70 C ATOM 836 C GLY A 55 -8.955 28.367 -3.274 1.00 1.52 C ATOM 837 O GLY A 55 -9.037 29.055 -2.257 1.00 1.69 O ATOM 0 H GLY A 55 -8.216 27.654 -6.142 1.00 1.65 H new ATOM 0 HA2 GLY A 55 -7.503 29.192 -4.624 1.00 1.70 H new ATOM 0 HA3 GLY A 55 -9.053 30.009 -4.655 1.00 1.70 H new ATOM 841 N LYS A 56 -9.182 27.047 -3.252 1.00 1.26 N ATOM 842 CA LYS A 56 -9.435 26.262 -2.047 1.00 1.15 C ATOM 843 C LYS A 56 -8.587 24.987 -2.028 1.00 1.00 C ATOM 844 O LYS A 56 -8.451 24.261 -3.017 1.00 0.94 O ATOM 845 CB LYS A 56 -10.932 25.977 -1.841 1.00 1.39 C ATOM 846 CG LYS A 56 -11.583 25.387 -3.086 1.00 2.38 C ATOM 847 CD LYS A 56 -13.020 24.915 -2.851 1.00 2.77 C ATOM 848 CE LYS A 56 -13.712 24.577 -4.178 1.00 3.51 C ATOM 849 NZ LYS A 56 -13.069 23.466 -4.920 1.00 4.44 N ATOM 0 H LYS A 56 -9.194 26.483 -4.102 1.00 1.26 H new ATOM 0 HA LYS A 56 -9.125 26.866 -1.194 1.00 1.15 H new ATOM 0 HB2 LYS A 56 -11.057 25.287 -1.006 1.00 1.39 H new ATOM 0 HB3 LYS A 56 -11.442 26.901 -1.570 1.00 1.39 H new ATOM 0 HG2 LYS A 56 -11.578 26.135 -3.879 1.00 2.38 H new ATOM 0 HG3 LYS A 56 -10.984 24.546 -3.437 1.00 2.38 H new ATOM 0 HD2 LYS A 56 -13.017 24.037 -2.204 1.00 2.77 H new ATOM 0 HD3 LYS A 56 -13.581 25.692 -2.332 1.00 2.77 H new ATOM 0 HE2 LYS A 56 -14.751 24.316 -3.979 1.00 3.51 H new ATOM 0 HE3 LYS A 56 -13.722 25.466 -4.809 1.00 3.51 H new ATOM 0 HZ1 LYS A 56 -13.708 23.135 -5.671 1.00 4.44 H new ATOM 0 HZ2 LYS A 56 -12.180 23.800 -5.344 1.00 4.44 H new ATOM 0 HZ3 LYS A 56 -12.867 22.683 -4.266 1.00 4.44 H new ATOM 863 N LYS A 57 -8.011 24.729 -0.862 1.00 1.02 N ATOM 864 CA LYS A 57 -7.161 23.600 -0.512 1.00 0.97 C ATOM 865 C LYS A 57 -7.978 22.307 -0.425 1.00 0.90 C ATOM 866 O LYS A 57 -9.129 22.302 0.000 1.00 1.07 O ATOM 867 CB LYS A 57 -6.381 23.898 0.791 1.00 1.14 C ATOM 868 CG LYS A 57 -5.719 25.282 0.701 1.00 1.93 C ATOM 869 CD LYS A 57 -4.710 25.661 1.788 1.00 2.49 C ATOM 870 CE LYS A 57 -4.522 27.193 1.870 1.00 3.47 C ATOM 871 NZ LYS A 57 -4.456 27.868 0.544 1.00 4.20 N ATOM 0 H LYS A 57 -8.138 25.358 -0.069 1.00 1.02 H new ATOM 0 HA LYS A 57 -6.425 23.451 -1.302 1.00 0.97 H new ATOM 0 HB2 LYS A 57 -7.057 23.864 1.645 1.00 1.14 H new ATOM 0 HB3 LYS A 57 -5.622 23.133 0.954 1.00 1.14 H new ATOM 0 HG2 LYS A 57 -5.215 25.350 -0.263 1.00 1.93 H new ATOM 0 HG3 LYS A 57 -6.510 26.032 0.701 1.00 1.93 H new ATOM 0 HD2 LYS A 57 -5.051 25.282 2.752 1.00 2.49 H new ATOM 0 HD3 LYS A 57 -3.752 25.185 1.579 1.00 2.49 H new ATOM 0 HE2 LYS A 57 -5.346 27.619 2.442 1.00 3.47 H new ATOM 0 HE3 LYS A 57 -3.606 27.407 2.421 1.00 3.47 H new ATOM 0 HZ1 LYS A 57 -4.162 28.857 0.672 1.00 4.20 H new ATOM 0 HZ2 LYS A 57 -3.767 27.378 -0.061 1.00 4.20 H new ATOM 0 HZ3 LYS A 57 -5.393 27.841 0.094 1.00 4.20 H new ATOM 885 N VAL A 58 -7.352 21.223 -0.850 1.00 0.99 N ATOM 886 CA VAL A 58 -7.934 19.886 -1.025 1.00 0.98 C ATOM 887 C VAL A 58 -6.828 18.821 -0.963 1.00 0.99 C ATOM 888 O VAL A 58 -5.640 19.153 -0.954 1.00 1.19 O ATOM 889 CB VAL A 58 -8.762 19.837 -2.341 1.00 1.02 C ATOM 890 CG1 VAL A 58 -7.884 19.694 -3.600 1.00 2.35 C ATOM 891 CG2 VAL A 58 -9.854 18.756 -2.315 1.00 2.39 C ATOM 0 H VAL A 58 -6.363 21.245 -1.100 1.00 0.99 H new ATOM 0 HA VAL A 58 -8.626 19.666 -0.212 1.00 0.98 H new ATOM 0 HB VAL A 58 -9.258 20.806 -2.400 1.00 1.02 H new ATOM 0 HG11 VAL A 58 -8.519 19.666 -4.485 1.00 2.35 H new ATOM 0 HG12 VAL A 58 -7.205 20.544 -3.668 1.00 2.35 H new ATOM 0 HG13 VAL A 58 -7.307 18.772 -3.538 1.00 2.35 H new ATOM 0 HG21 VAL A 58 -10.400 18.767 -3.258 1.00 2.39 H new ATOM 0 HG22 VAL A 58 -9.394 17.778 -2.174 1.00 2.39 H new ATOM 0 HG23 VAL A 58 -10.543 18.955 -1.494 1.00 2.39 H new ATOM 901 N MET A 59 -7.203 17.543 -0.951 1.00 0.86 N ATOM 902 CA MET A 59 -6.288 16.415 -1.167 1.00 0.75 C ATOM 903 C MET A 59 -6.619 15.676 -2.466 1.00 0.71 C ATOM 904 O MET A 59 -7.755 15.704 -2.935 1.00 0.88 O ATOM 905 CB MET A 59 -6.304 15.462 0.037 1.00 0.80 C ATOM 906 CG MET A 59 -5.609 16.108 1.240 1.00 0.93 C ATOM 907 SD MET A 59 -5.501 15.032 2.687 1.00 2.23 S ATOM 908 CE MET A 59 -4.751 16.207 3.842 1.00 2.71 C ATOM 0 H MET A 59 -8.167 17.253 -0.788 1.00 0.86 H new ATOM 0 HA MET A 59 -5.278 16.813 -1.265 1.00 0.75 H new ATOM 0 HB2 MET A 59 -7.332 15.210 0.296 1.00 0.80 H new ATOM 0 HB3 MET A 59 -5.803 14.529 -0.223 1.00 0.80 H new ATOM 0 HG2 MET A 59 -4.603 16.409 0.947 1.00 0.93 H new ATOM 0 HG3 MET A 59 -6.147 17.016 1.514 1.00 0.93 H new ATOM 0 HE1 MET A 59 -4.602 15.724 4.808 1.00 2.71 H new ATOM 0 HE2 MET A 59 -3.789 16.539 3.450 1.00 2.71 H new ATOM 0 HE3 MET A 59 -5.409 17.067 3.964 1.00 2.71 H new ATOM 918 N GLY A 60 -5.600 15.040 -3.043 1.00 0.65 N ATOM 919 CA GLY A 60 -5.663 14.212 -4.244 1.00 0.68 C ATOM 920 C GLY A 60 -4.943 12.878 -4.051 1.00 0.61 C ATOM 921 O GLY A 60 -4.297 12.636 -3.034 1.00 0.63 O ATOM 0 H GLY A 60 -4.655 15.093 -2.662 1.00 0.65 H new ATOM 0 HA2 GLY A 60 -6.705 14.028 -4.505 1.00 0.68 H new ATOM 0 HA3 GLY A 60 -5.215 14.749 -5.080 1.00 0.68 H new ATOM 925 N MET A 61 -5.042 12.021 -5.064 1.00 0.62 N ATOM 926 CA MET A 61 -4.357 10.733 -5.160 1.00 0.63 C ATOM 927 C MET A 61 -4.101 10.406 -6.622 1.00 0.66 C ATOM 928 O MET A 61 -4.893 10.758 -7.500 1.00 0.70 O ATOM 929 CB MET A 61 -5.209 9.675 -4.430 1.00 0.72 C ATOM 930 CG MET A 61 -5.002 8.205 -4.833 1.00 0.63 C ATOM 931 SD MET A 61 -6.293 7.024 -4.304 1.00 0.66 S ATOM 932 CE MET A 61 -6.931 7.798 -2.796 1.00 0.80 C ATOM 0 H MET A 61 -5.628 12.213 -5.877 1.00 0.62 H new ATOM 0 HA MET A 61 -3.381 10.756 -4.676 1.00 0.63 H new ATOM 0 HB2 MET A 61 -5.014 9.763 -3.361 1.00 0.72 H new ATOM 0 HB3 MET A 61 -6.259 9.923 -4.584 1.00 0.72 H new ATOM 0 HG2 MET A 61 -4.920 8.157 -5.919 1.00 0.63 H new ATOM 0 HG3 MET A 61 -4.047 7.871 -4.427 1.00 0.63 H new ATOM 0 HE1 MET A 61 -7.564 7.089 -2.263 1.00 0.80 H new ATOM 0 HE2 MET A 61 -6.098 8.093 -2.158 1.00 0.80 H new ATOM 0 HE3 MET A 61 -7.516 8.679 -3.059 1.00 0.80 H new ATOM 942 N ARG A 62 -2.974 9.741 -6.863 1.00 0.69 N ATOM 943 CA ARG A 62 -2.420 9.518 -8.189 1.00 0.84 C ATOM 944 C ARG A 62 -1.662 8.187 -8.254 1.00 0.74 C ATOM 945 O ARG A 62 -1.033 7.810 -7.267 1.00 0.72 O ATOM 946 CB ARG A 62 -1.472 10.700 -8.495 1.00 1.13 C ATOM 947 CG ARG A 62 -2.008 11.609 -9.603 1.00 1.14 C ATOM 948 CD ARG A 62 -0.931 11.991 -10.628 1.00 1.72 C ATOM 949 NE ARG A 62 -0.257 10.812 -11.212 1.00 3.11 N ATOM 950 CZ ARG A 62 0.287 10.696 -12.416 1.00 4.14 C ATOM 951 NH1 ARG A 62 0.218 11.658 -13.316 1.00 4.00 N ATOM 952 NH2 ARG A 62 0.930 9.584 -12.707 1.00 5.64 N ATOM 0 H ARG A 62 -2.408 9.333 -6.119 1.00 0.69 H new ATOM 0 HA ARG A 62 -3.220 9.463 -8.928 1.00 0.84 H new ATOM 0 HB2 ARG A 62 -1.323 11.287 -7.588 1.00 1.13 H new ATOM 0 HB3 ARG A 62 -0.496 10.313 -8.788 1.00 1.13 H new ATOM 0 HG2 ARG A 62 -2.829 11.106 -10.115 1.00 1.14 H new ATOM 0 HG3 ARG A 62 -2.418 12.515 -9.157 1.00 1.14 H new ATOM 0 HD2 ARG A 62 -1.386 12.577 -11.426 1.00 1.72 H new ATOM 0 HD3 ARG A 62 -0.188 12.629 -10.148 1.00 1.72 H new ATOM 0 HE ARG A 62 -0.204 9.986 -10.616 1.00 3.11 H new ATOM 0 HH11 ARG A 62 -0.266 12.528 -13.096 1.00 4.00 H new ATOM 0 HH12 ARG A 62 0.649 11.532 -14.232 1.00 4.00 H new ATOM 0 HH21 ARG A 62 1.000 8.839 -12.014 1.00 5.64 H new ATOM 0 HH22 ARG A 62 1.358 9.468 -13.626 1.00 5.64 H new ATOM 966 N PRO A 63 -1.662 7.483 -9.402 1.00 0.75 N ATOM 967 CA PRO A 63 -0.829 6.310 -9.585 1.00 0.71 C ATOM 968 C PRO A 63 0.621 6.693 -9.885 1.00 0.69 C ATOM 969 O PRO A 63 0.881 7.778 -10.421 1.00 0.73 O ATOM 970 CB PRO A 63 -1.475 5.528 -10.719 1.00 0.74 C ATOM 971 CG PRO A 63 -2.044 6.639 -11.603 1.00 0.81 C ATOM 972 CD PRO A 63 -2.490 7.695 -10.585 1.00 0.83 C ATOM 0 HA PRO A 63 -0.772 5.705 -8.680 1.00 0.71 H new ATOM 0 HB2 PRO A 63 -0.750 4.915 -11.254 1.00 0.74 H new ATOM 0 HB3 PRO A 63 -2.255 4.857 -10.357 1.00 0.74 H new ATOM 0 HG2 PRO A 63 -1.295 7.032 -12.290 1.00 0.81 H new ATOM 0 HG3 PRO A 63 -2.878 6.285 -12.209 1.00 0.81 H new ATOM 0 HD2 PRO A 63 -2.355 8.701 -10.981 1.00 0.83 H new ATOM 0 HD3 PRO A 63 -3.548 7.586 -10.346 1.00 0.83 H new ATOM 980 N VAL A 64 1.544 5.790 -9.537 1.00 0.67 N ATOM 981 CA VAL A 64 3.008 5.969 -9.630 1.00 0.65 C ATOM 982 C VAL A 64 3.690 4.667 -10.102 1.00 0.64 C ATOM 983 O VAL A 64 3.140 3.590 -9.877 1.00 0.64 O ATOM 984 CB VAL A 64 3.620 6.468 -8.293 1.00 0.62 C ATOM 985 CG1 VAL A 64 3.073 7.853 -7.919 1.00 0.60 C ATOM 986 CG2 VAL A 64 3.436 5.508 -7.110 1.00 0.76 C ATOM 0 H VAL A 64 1.287 4.875 -9.167 1.00 0.67 H new ATOM 0 HA VAL A 64 3.194 6.743 -10.374 1.00 0.65 H new ATOM 0 HB VAL A 64 4.692 6.523 -8.482 1.00 0.62 H new ATOM 0 HG11 VAL A 64 3.518 8.178 -6.979 1.00 0.60 H new ATOM 0 HG12 VAL A 64 3.322 8.567 -8.704 1.00 0.60 H new ATOM 0 HG13 VAL A 64 1.990 7.799 -7.808 1.00 0.60 H new ATOM 0 HG21 VAL A 64 3.894 5.937 -6.219 1.00 0.76 H new ATOM 0 HG22 VAL A 64 2.372 5.350 -6.931 1.00 0.76 H new ATOM 0 HG23 VAL A 64 3.911 4.554 -7.338 1.00 0.76 H new ATOM 996 N PRO A 65 4.860 4.736 -10.781 1.00 0.65 N ATOM 997 CA PRO A 65 5.445 3.603 -11.504 1.00 0.67 C ATOM 998 C PRO A 65 6.178 2.615 -10.598 1.00 0.66 C ATOM 999 O PRO A 65 6.315 1.454 -10.972 1.00 0.72 O ATOM 1000 CB PRO A 65 6.389 4.235 -12.529 1.00 0.71 C ATOM 1001 CG PRO A 65 6.885 5.490 -11.817 1.00 0.69 C ATOM 1002 CD PRO A 65 5.664 5.931 -11.010 1.00 0.67 C ATOM 0 HA PRO A 65 4.665 3.000 -11.969 1.00 0.67 H new ATOM 0 HB2 PRO A 65 7.211 3.566 -12.786 1.00 0.71 H new ATOM 0 HB3 PRO A 65 5.872 4.476 -13.458 1.00 0.71 H new ATOM 0 HG2 PRO A 65 7.739 5.278 -11.174 1.00 0.69 H new ATOM 0 HG3 PRO A 65 7.201 6.257 -12.524 1.00 0.69 H new ATOM 0 HD2 PRO A 65 5.967 6.381 -10.064 1.00 0.67 H new ATOM 0 HD3 PRO A 65 5.093 6.684 -11.553 1.00 0.67 H new ATOM 1010 N PHE A 66 6.634 3.075 -9.428 1.00 0.60 N ATOM 1011 CA PHE A 66 7.351 2.308 -8.405 1.00 0.58 C ATOM 1012 C PHE A 66 7.663 3.193 -7.193 1.00 0.57 C ATOM 1013 O PHE A 66 7.681 4.422 -7.291 1.00 0.64 O ATOM 1014 CB PHE A 66 8.654 1.692 -8.949 1.00 0.59 C ATOM 1015 CG PHE A 66 9.656 2.724 -9.400 1.00 0.59 C ATOM 1016 CD1 PHE A 66 10.502 3.330 -8.456 1.00 1.68 C ATOM 1017 CD2 PHE A 66 9.656 3.155 -10.732 1.00 1.94 C ATOM 1018 CE1 PHE A 66 11.305 4.420 -8.822 1.00 1.71 C ATOM 1019 CE2 PHE A 66 10.510 4.205 -11.121 1.00 1.93 C ATOM 1020 CZ PHE A 66 11.323 4.848 -10.163 1.00 0.59 C ATOM 0 H PHE A 66 6.505 4.049 -9.154 1.00 0.60 H new ATOM 0 HA PHE A 66 6.697 1.490 -8.101 1.00 0.58 H new ATOM 0 HB2 PHE A 66 9.105 1.071 -8.175 1.00 0.59 H new ATOM 0 HB3 PHE A 66 8.416 1.036 -9.786 1.00 0.59 H new ATOM 0 HD1 PHE A 66 10.534 2.955 -7.444 1.00 1.68 H new ATOM 0 HD2 PHE A 66 9.006 2.686 -11.456 1.00 1.94 H new ATOM 0 HE1 PHE A 66 11.905 4.927 -8.081 1.00 1.71 H new ATOM 0 HE2 PHE A 66 10.543 4.519 -12.154 1.00 1.93 H new ATOM 0 HZ PHE A 66 11.959 5.669 -10.459 1.00 0.59 H new ATOM 1030 N LEU A 67 7.998 2.549 -6.076 1.00 0.54 N ATOM 1031 CA LEU A 67 8.645 3.159 -4.910 1.00 0.54 C ATOM 1032 C LEU A 67 10.086 2.656 -4.786 1.00 0.55 C ATOM 1033 O LEU A 67 10.407 1.568 -5.261 1.00 0.59 O ATOM 1034 CB LEU A 67 7.885 2.803 -3.622 1.00 0.56 C ATOM 1035 CG LEU A 67 6.369 3.060 -3.626 1.00 0.59 C ATOM 1036 CD1 LEU A 67 5.870 2.909 -2.190 1.00 0.62 C ATOM 1037 CD2 LEU A 67 5.967 4.444 -4.140 1.00 0.64 C ATOM 0 H LEU A 67 7.821 1.552 -5.951 1.00 0.54 H new ATOM 0 HA LEU A 67 8.639 4.240 -5.047 1.00 0.54 H new ATOM 0 HB2 LEU A 67 8.051 1.747 -3.409 1.00 0.56 H new ATOM 0 HB3 LEU A 67 8.324 3.367 -2.800 1.00 0.56 H new ATOM 0 HG LEU A 67 5.921 2.339 -4.311 1.00 0.59 H new ATOM 0 HD11 LEU A 67 4.795 3.086 -2.158 1.00 0.62 H new ATOM 0 HD12 LEU A 67 6.083 1.901 -1.835 1.00 0.62 H new ATOM 0 HD13 LEU A 67 6.376 3.633 -1.551 1.00 0.62 H new ATOM 0 HD21 LEU A 67 4.882 4.542 -4.110 1.00 0.64 H new ATOM 0 HD22 LEU A 67 6.419 5.211 -3.511 1.00 0.64 H new ATOM 0 HD23 LEU A 67 6.314 4.566 -5.166 1.00 0.64 H new ATOM 1049 N GLU A 68 10.946 3.412 -4.110 1.00 0.57 N ATOM 1050 CA GLU A 68 12.283 2.972 -3.704 1.00 0.63 C ATOM 1051 C GLU A 68 12.408 2.990 -2.180 1.00 0.68 C ATOM 1052 O GLU A 68 11.828 3.861 -1.534 1.00 0.74 O ATOM 1053 CB GLU A 68 13.334 3.872 -4.362 1.00 0.86 C ATOM 1054 CG GLU A 68 14.761 3.582 -3.871 1.00 0.99 C ATOM 1055 CD GLU A 68 15.788 3.973 -4.933 1.00 1.25 C ATOM 1056 OE1 GLU A 68 15.624 5.026 -5.591 1.00 2.33 O ATOM 1057 OE2 GLU A 68 16.626 3.109 -5.263 1.00 2.00 O ATOM 0 H GLU A 68 10.732 4.367 -3.822 1.00 0.57 H new ATOM 0 HA GLU A 68 12.448 1.947 -4.035 1.00 0.63 H new ATOM 0 HB2 GLU A 68 13.293 3.739 -5.443 1.00 0.86 H new ATOM 0 HB3 GLU A 68 13.090 4.915 -4.159 1.00 0.86 H new ATOM 0 HG2 GLU A 68 14.954 4.134 -2.951 1.00 0.99 H new ATOM 0 HG3 GLU A 68 14.861 2.523 -3.634 1.00 0.99 H new ATOM 1064 N VAL A 69 13.185 2.054 -1.622 1.00 0.75 N ATOM 1065 CA VAL A 69 13.541 2.040 -0.196 1.00 0.88 C ATOM 1066 C VAL A 69 15.034 1.708 -0.003 1.00 0.93 C ATOM 1067 O VAL A 69 15.502 0.708 -0.555 1.00 0.91 O ATOM 1068 CB VAL A 69 12.644 1.054 0.605 1.00 0.93 C ATOM 1069 CG1 VAL A 69 12.981 1.028 2.106 1.00 1.10 C ATOM 1070 CG2 VAL A 69 11.144 1.363 0.457 1.00 0.96 C ATOM 0 H VAL A 69 13.588 1.280 -2.150 1.00 0.75 H new ATOM 0 HA VAL A 69 13.363 3.041 0.197 1.00 0.88 H new ATOM 0 HB VAL A 69 12.858 0.078 0.170 1.00 0.93 H new ATOM 0 HG11 VAL A 69 12.324 0.323 2.614 1.00 1.10 H new ATOM 0 HG12 VAL A 69 14.018 0.720 2.241 1.00 1.10 H new ATOM 0 HG13 VAL A 69 12.841 2.023 2.528 1.00 1.10 H new ATOM 0 HG21 VAL A 69 10.565 0.644 1.037 1.00 0.96 H new ATOM 0 HG22 VAL A 69 10.942 2.370 0.822 1.00 0.96 H new ATOM 0 HG23 VAL A 69 10.860 1.294 -0.593 1.00 0.96 H new ATOM 1080 N PRO A 70 15.792 2.515 0.774 1.00 1.03 N ATOM 1081 CA PRO A 70 17.232 2.344 0.976 1.00 1.05 C ATOM 1082 C PRO A 70 17.559 1.116 1.849 1.00 1.04 C ATOM 1083 O PRO A 70 16.663 0.592 2.511 1.00 1.11 O ATOM 1084 CB PRO A 70 17.702 3.646 1.642 1.00 1.21 C ATOM 1085 CG PRO A 70 16.473 4.102 2.421 1.00 1.29 C ATOM 1086 CD PRO A 70 15.335 3.702 1.488 1.00 1.16 C ATOM 0 HA PRO A 70 17.743 2.160 0.031 1.00 1.05 H new ATOM 0 HB2 PRO A 70 18.555 3.477 2.299 1.00 1.21 H new ATOM 0 HB3 PRO A 70 18.009 4.387 0.904 1.00 1.21 H new ATOM 0 HG2 PRO A 70 16.398 3.608 3.390 1.00 1.29 H new ATOM 0 HG3 PRO A 70 16.486 5.175 2.611 1.00 1.29 H new ATOM 0 HD2 PRO A 70 14.426 3.492 2.051 1.00 1.16 H new ATOM 0 HD3 PRO A 70 15.100 4.508 0.793 1.00 1.16 H new ATOM 1094 N PRO A 71 18.827 0.655 1.870 1.00 1.01 N ATOM 1095 CA PRO A 71 19.264 -0.478 2.686 1.00 1.00 C ATOM 1096 C PRO A 71 19.054 -0.245 4.179 1.00 1.16 C ATOM 1097 O PRO A 71 19.209 0.870 4.672 1.00 1.32 O ATOM 1098 CB PRO A 71 20.726 -0.719 2.330 1.00 1.00 C ATOM 1099 CG PRO A 71 21.204 0.593 1.722 1.00 1.09 C ATOM 1100 CD PRO A 71 19.943 1.163 1.083 1.00 1.04 C ATOM 0 HA PRO A 71 18.663 -1.362 2.471 1.00 1.00 H new ATOM 0 HB2 PRO A 71 21.309 -0.981 3.213 1.00 1.00 H new ATOM 0 HB3 PRO A 71 20.830 -1.543 1.624 1.00 1.00 H new ATOM 0 HG2 PRO A 71 21.609 1.263 2.480 1.00 1.09 H new ATOM 0 HG3 PRO A 71 21.991 0.432 0.985 1.00 1.09 H new ATOM 0 HD2 PRO A 71 19.961 2.253 1.090 1.00 1.04 H new ATOM 0 HD3 PRO A 71 19.859 0.852 0.042 1.00 1.04 H new ATOM 1108 N LYS A 72 18.651 -1.314 4.880 1.00 1.20 N ATOM 1109 CA LYS A 72 18.313 -1.347 6.318 1.00 1.43 C ATOM 1110 C LYS A 72 17.062 -0.524 6.676 1.00 1.59 C ATOM 1111 O LYS A 72 16.666 -0.451 7.839 1.00 1.80 O ATOM 1112 CB LYS A 72 19.536 -0.973 7.177 1.00 1.57 C ATOM 1113 CG LYS A 72 20.828 -1.688 6.756 1.00 1.49 C ATOM 1114 CD LYS A 72 20.749 -3.222 6.820 1.00 1.58 C ATOM 1115 CE LYS A 72 21.987 -3.819 6.149 1.00 1.55 C ATOM 1116 NZ LYS A 72 21.915 -5.295 6.036 1.00 2.17 N ATOM 0 H LYS A 72 18.545 -2.228 4.441 1.00 1.20 H new ATOM 0 HA LYS A 72 18.043 -2.376 6.554 1.00 1.43 H new ATOM 0 HB2 LYS A 72 19.693 0.104 7.121 1.00 1.57 H new ATOM 0 HB3 LYS A 72 19.323 -1.210 8.219 1.00 1.57 H new ATOM 0 HG2 LYS A 72 21.079 -1.391 5.738 1.00 1.49 H new ATOM 0 HG3 LYS A 72 21.642 -1.350 7.397 1.00 1.49 H new ATOM 0 HD2 LYS A 72 20.688 -3.552 7.857 1.00 1.58 H new ATOM 0 HD3 LYS A 72 19.846 -3.572 6.321 1.00 1.58 H new ATOM 0 HE2 LYS A 72 22.101 -3.387 5.155 1.00 1.55 H new ATOM 0 HE3 LYS A 72 22.874 -3.544 6.720 1.00 1.55 H new ATOM 0 HZ1 LYS A 72 22.517 -5.729 6.765 1.00 2.17 H new ATOM 0 HZ2 LYS A 72 20.931 -5.606 6.169 1.00 2.17 H new ATOM 0 HZ3 LYS A 72 22.246 -5.588 5.095 1.00 2.17 H new ATOM 1130 N GLY A 73 16.431 0.099 5.679 1.00 1.55 N ATOM 1131 CA GLY A 73 15.302 1.017 5.828 1.00 1.60 C ATOM 1132 C GLY A 73 13.958 0.317 6.036 1.00 1.56 C ATOM 1133 O GLY A 73 13.515 -0.477 5.208 1.00 1.52 O ATOM 0 H GLY A 73 16.705 -0.028 4.705 1.00 1.55 H new ATOM 0 HA2 GLY A 73 15.492 1.677 6.675 1.00 1.60 H new ATOM 0 HA3 GLY A 73 15.239 1.647 4.941 1.00 1.60 H new ATOM 1137 N ARG A 74 13.269 0.715 7.105 1.00 1.92 N ATOM 1138 CA ARG A 74 11.816 0.581 7.265 1.00 1.80 C ATOM 1139 C ARG A 74 11.168 1.828 6.669 1.00 1.82 C ATOM 1140 O ARG A 74 11.479 2.926 7.126 1.00 2.31 O ATOM 1141 CB ARG A 74 11.460 0.525 8.763 1.00 1.97 C ATOM 1142 CG ARG A 74 11.143 -0.869 9.310 1.00 2.95 C ATOM 1143 CD ARG A 74 9.667 -1.175 9.209 1.00 3.37 C ATOM 1144 NE ARG A 74 9.335 -2.489 9.767 1.00 4.53 N ATOM 1145 CZ ARG A 74 8.158 -2.898 10.200 1.00 5.21 C ATOM 1146 NH1 ARG A 74 7.165 -2.090 10.469 1.00 5.05 N ATOM 1147 NH2 ARG A 74 7.945 -4.174 10.362 1.00 6.49 N ATOM 0 H ARG A 74 13.717 1.153 7.910 1.00 1.92 H new ATOM 0 HA ARG A 74 11.468 -0.327 6.773 1.00 1.80 H new ATOM 0 HB2 ARG A 74 12.292 0.940 9.333 1.00 1.97 H new ATOM 0 HB3 ARG A 74 10.599 1.170 8.939 1.00 1.97 H new ATOM 0 HG2 ARG A 74 11.710 -1.617 8.756 1.00 2.95 H new ATOM 0 HG3 ARG A 74 11.460 -0.934 10.351 1.00 2.95 H new ATOM 0 HD2 ARG A 74 9.101 -0.406 9.734 1.00 3.37 H new ATOM 0 HD3 ARG A 74 9.361 -1.138 8.164 1.00 3.37 H new ATOM 0 HE ARG A 74 10.099 -3.162 9.827 1.00 4.53 H new ATOM 0 HH11 ARG A 74 7.279 -1.084 10.346 1.00 5.05 H new ATOM 0 HH12 ARG A 74 6.277 -2.466 10.801 1.00 5.05 H new ATOM 0 HH21 ARG A 74 8.685 -4.845 10.154 1.00 6.49 H new ATOM 0 HH22 ARG A 74 7.039 -4.501 10.696 1.00 6.49 H new ATOM 1161 N VAL A 75 10.268 1.664 5.704 1.00 1.58 N ATOM 1162 CA VAL A 75 9.494 2.773 5.099 1.00 1.99 C ATOM 1163 C VAL A 75 8.127 2.257 4.644 1.00 1.48 C ATOM 1164 O VAL A 75 7.991 1.703 3.560 1.00 1.66 O ATOM 1165 CB VAL A 75 10.218 3.476 3.912 1.00 2.74 C ATOM 1166 CG1 VAL A 75 9.389 4.671 3.398 1.00 3.45 C ATOM 1167 CG2 VAL A 75 11.622 4.009 4.257 1.00 3.35 C ATOM 0 H VAL A 75 10.044 0.751 5.307 1.00 1.58 H new ATOM 0 HA VAL A 75 9.382 3.530 5.875 1.00 1.99 H new ATOM 0 HB VAL A 75 10.324 2.699 3.155 1.00 2.74 H new ATOM 0 HG11 VAL A 75 9.913 5.148 2.569 1.00 3.45 H new ATOM 0 HG12 VAL A 75 8.415 4.319 3.057 1.00 3.45 H new ATOM 0 HG13 VAL A 75 9.252 5.392 4.204 1.00 3.45 H new ATOM 0 HG21 VAL A 75 12.057 4.484 3.378 1.00 3.35 H new ATOM 0 HG22 VAL A 75 11.546 4.739 5.063 1.00 3.35 H new ATOM 0 HG23 VAL A 75 12.257 3.182 4.575 1.00 3.35 H new ATOM 1177 N GLU A 76 7.098 2.465 5.460 1.00 1.61 N ATOM 1178 CA GLU A 76 5.747 1.967 5.174 1.00 1.34 C ATOM 1179 C GLU A 76 5.073 2.817 4.094 1.00 1.12 C ATOM 1180 O GLU A 76 5.180 4.048 4.089 1.00 1.24 O ATOM 1181 CB GLU A 76 4.809 1.899 6.412 1.00 1.87 C ATOM 1182 CG GLU A 76 5.467 1.855 7.797 1.00 2.49 C ATOM 1183 CD GLU A 76 6.058 3.224 8.128 1.00 2.28 C ATOM 1184 OE1 GLU A 76 5.288 4.190 8.292 1.00 2.73 O ATOM 1185 OE2 GLU A 76 7.300 3.353 8.060 1.00 3.02 O ATOM 0 H GLU A 76 7.172 2.981 6.337 1.00 1.61 H new ATOM 0 HA GLU A 76 5.895 0.943 4.830 1.00 1.34 H new ATOM 0 HB2 GLU A 76 4.148 2.765 6.381 1.00 1.87 H new ATOM 0 HB3 GLU A 76 4.181 1.014 6.310 1.00 1.87 H new ATOM 0 HG2 GLU A 76 4.732 1.573 8.551 1.00 2.49 H new ATOM 0 HG3 GLU A 76 6.249 1.096 7.815 1.00 2.49 H new ATOM 1192 N LEU A 77 4.313 2.150 3.227 1.00 1.03 N ATOM 1193 CA LEU A 77 3.268 2.757 2.425 1.00 0.91 C ATOM 1194 C LEU A 77 2.179 3.249 3.392 1.00 1.30 C ATOM 1195 O LEU A 77 1.367 2.478 3.886 1.00 2.37 O ATOM 1196 CB LEU A 77 2.755 1.724 1.399 1.00 1.01 C ATOM 1197 CG LEU A 77 3.717 1.485 0.216 1.00 1.02 C ATOM 1198 CD1 LEU A 77 4.646 0.277 0.401 1.00 1.03 C ATOM 1199 CD2 LEU A 77 2.914 1.290 -1.078 1.00 1.44 C ATOM 0 H LEU A 77 4.414 1.148 3.064 1.00 1.03 H new ATOM 0 HA LEU A 77 3.624 3.611 1.849 1.00 0.91 H new ATOM 0 HB2 LEU A 77 2.580 0.777 1.909 1.00 1.01 H new ATOM 0 HB3 LEU A 77 1.793 2.059 1.010 1.00 1.01 H new ATOM 0 HG LEU A 77 4.349 2.372 0.164 1.00 1.02 H new ATOM 0 HD11 LEU A 77 5.290 0.176 -0.472 1.00 1.03 H new ATOM 0 HD12 LEU A 77 5.260 0.423 1.290 1.00 1.03 H new ATOM 0 HD13 LEU A 77 4.048 -0.627 0.517 1.00 1.03 H new ATOM 0 HD21 LEU A 77 3.599 1.122 -1.909 1.00 1.44 H new ATOM 0 HD22 LEU A 77 2.255 0.429 -0.971 1.00 1.44 H new ATOM 0 HD23 LEU A 77 2.318 2.181 -1.274 1.00 1.44 H new ATOM 1211 N LYS A 78 2.250 4.529 3.758 1.00 1.00 N ATOM 1212 CA LYS A 78 1.538 5.107 4.902 1.00 1.28 C ATOM 1213 C LYS A 78 0.275 5.910 4.514 1.00 0.95 C ATOM 1214 O LYS A 78 0.232 6.495 3.426 1.00 0.85 O ATOM 1215 CB LYS A 78 2.543 5.935 5.723 1.00 1.85 C ATOM 1216 CG LYS A 78 3.280 7.049 4.945 1.00 1.70 C ATOM 1217 CD LYS A 78 4.333 7.734 5.841 1.00 2.08 C ATOM 1218 CE LYS A 78 5.762 7.149 5.781 1.00 2.84 C ATOM 1219 NZ LYS A 78 5.864 5.722 6.178 1.00 4.00 N ATOM 0 H LYS A 78 2.818 5.211 3.256 1.00 1.00 H new ATOM 0 HA LYS A 78 1.144 4.294 5.512 1.00 1.28 H new ATOM 0 HB2 LYS A 78 2.014 6.390 6.561 1.00 1.85 H new ATOM 0 HB3 LYS A 78 3.286 5.258 6.145 1.00 1.85 H new ATOM 0 HG2 LYS A 78 3.764 6.626 4.065 1.00 1.70 H new ATOM 0 HG3 LYS A 78 2.562 7.788 4.590 1.00 1.70 H new ATOM 0 HD2 LYS A 78 4.382 8.788 5.568 1.00 2.08 H new ATOM 0 HD3 LYS A 78 3.987 7.688 6.874 1.00 2.08 H new ATOM 0 HE2 LYS A 78 6.142 7.258 4.765 1.00 2.84 H new ATOM 0 HE3 LYS A 78 6.410 7.740 6.429 1.00 2.84 H new ATOM 0 HZ1 LYS A 78 6.866 5.459 6.273 1.00 4.00 H new ATOM 0 HZ2 LYS A 78 5.381 5.579 7.088 1.00 4.00 H new ATOM 0 HZ3 LYS A 78 5.417 5.127 5.452 1.00 4.00 H new ATOM 1233 N PRO A 79 -0.755 5.973 5.385 1.00 1.11 N ATOM 1234 CA PRO A 79 -1.940 6.795 5.151 1.00 1.20 C ATOM 1235 C PRO A 79 -1.551 8.273 5.076 1.00 1.46 C ATOM 1236 O PRO A 79 -0.631 8.711 5.764 1.00 3.35 O ATOM 1237 CB PRO A 79 -2.908 6.483 6.294 1.00 1.51 C ATOM 1238 CG PRO A 79 -1.984 6.029 7.424 1.00 1.63 C ATOM 1239 CD PRO A 79 -0.857 5.314 6.682 1.00 1.54 C ATOM 0 HA PRO A 79 -2.420 6.574 4.198 1.00 1.20 H new ATOM 0 HB2 PRO A 79 -3.490 7.359 6.578 1.00 1.51 H new ATOM 0 HB3 PRO A 79 -3.619 5.704 6.018 1.00 1.51 H new ATOM 0 HG2 PRO A 79 -1.612 6.873 8.005 1.00 1.63 H new ATOM 0 HG3 PRO A 79 -2.495 5.363 8.120 1.00 1.63 H new ATOM 0 HD2 PRO A 79 0.081 5.386 7.232 1.00 1.54 H new ATOM 0 HD3 PRO A 79 -1.077 4.253 6.565 1.00 1.54 H new ATOM 1247 N GLY A 80 -2.209 9.023 4.186 1.00 1.12 N ATOM 1248 CA GLY A 80 -1.796 10.384 3.819 1.00 1.08 C ATOM 1249 C GLY A 80 -0.689 10.440 2.753 1.00 0.98 C ATOM 1250 O GLY A 80 -0.335 11.535 2.328 1.00 1.51 O ATOM 0 H GLY A 80 -3.046 8.703 3.698 1.00 1.12 H new ATOM 0 HA2 GLY A 80 -2.666 10.929 3.453 1.00 1.08 H new ATOM 0 HA3 GLY A 80 -1.450 10.901 4.714 1.00 1.08 H new ATOM 1254 N GLY A 81 -0.167 9.292 2.301 1.00 0.74 N ATOM 1255 CA GLY A 81 0.772 9.186 1.180 1.00 0.82 C ATOM 1256 C GLY A 81 0.684 7.851 0.450 1.00 0.88 C ATOM 1257 O GLY A 81 -0.385 7.453 -0.012 1.00 1.66 O ATOM 0 H GLY A 81 -0.393 8.389 2.717 1.00 0.74 H new ATOM 0 HA2 GLY A 81 0.578 9.993 0.474 1.00 0.82 H new ATOM 0 HA3 GLY A 81 1.788 9.324 1.550 1.00 0.82 H new ATOM 1261 N TYR A 82 1.819 7.169 0.278 1.00 0.86 N ATOM 1262 CA TYR A 82 1.905 6.066 -0.687 1.00 0.81 C ATOM 1263 C TYR A 82 1.169 4.815 -0.218 1.00 0.85 C ATOM 1264 O TYR A 82 1.184 4.480 0.958 1.00 0.97 O ATOM 1265 CB TYR A 82 3.359 5.705 -0.965 1.00 0.85 C ATOM 1266 CG TYR A 82 4.132 6.780 -1.693 1.00 0.82 C ATOM 1267 CD1 TYR A 82 3.982 6.894 -3.084 1.00 1.96 C ATOM 1268 CD2 TYR A 82 5.000 7.648 -1.005 1.00 2.10 C ATOM 1269 CE1 TYR A 82 4.744 7.826 -3.799 1.00 1.98 C ATOM 1270 CE2 TYR A 82 5.742 8.612 -1.716 1.00 2.15 C ATOM 1271 CZ TYR A 82 5.631 8.693 -3.124 1.00 0.98 C ATOM 1272 OH TYR A 82 6.367 9.598 -3.829 1.00 1.15 O ATOM 0 H TYR A 82 2.683 7.357 0.787 1.00 0.86 H new ATOM 0 HA TYR A 82 1.424 6.422 -1.598 1.00 0.81 H new ATOM 0 HB2 TYR A 82 3.857 5.492 -0.019 1.00 0.85 H new ATOM 0 HB3 TYR A 82 3.389 4.789 -1.554 1.00 0.85 H new ATOM 0 HD1 TYR A 82 3.277 6.262 -3.604 1.00 1.96 H new ATOM 0 HD2 TYR A 82 5.097 7.575 0.068 1.00 2.10 H new ATOM 0 HE1 TYR A 82 4.653 7.882 -4.874 1.00 1.98 H new ATOM 0 HE2 TYR A 82 6.396 9.289 -1.186 1.00 2.15 H new ATOM 0 HH TYR A 82 6.925 10.117 -3.213 1.00 1.15 H new ATOM 1282 N HIS A 83 0.495 4.140 -1.144 1.00 0.78 N ATOM 1283 CA HIS A 83 -0.338 2.961 -0.867 1.00 0.77 C ATOM 1284 C HIS A 83 -0.674 2.145 -2.120 1.00 0.66 C ATOM 1285 O HIS A 83 -0.700 2.690 -3.221 1.00 0.66 O ATOM 1286 CB HIS A 83 -1.594 3.388 -0.108 1.00 0.82 C ATOM 1287 CG HIS A 83 -2.515 4.268 -0.902 1.00 0.73 C ATOM 1288 ND1 HIS A 83 -2.390 5.625 -1.102 1.00 0.70 N ATOM 1289 CD2 HIS A 83 -3.543 3.824 -1.685 1.00 0.70 C ATOM 1290 CE1 HIS A 83 -3.301 5.984 -2.023 1.00 0.65 C ATOM 1291 NE2 HIS A 83 -4.045 4.927 -2.369 1.00 0.65 N ATOM 0 H HIS A 83 0.509 4.398 -2.131 1.00 0.78 H new ATOM 0 HA HIS A 83 0.245 2.286 -0.241 1.00 0.77 H new ATOM 0 HB2 HIS A 83 -2.138 2.497 0.204 1.00 0.82 H new ATOM 0 HB3 HIS A 83 -1.297 3.914 0.799 1.00 0.82 H new ATOM 0 HD1 HIS A 83 -1.727 6.245 -0.636 1.00 0.70 H new ATOM 0 HD2 HIS A 83 -3.899 2.807 -1.759 1.00 0.70 H new ATOM 0 HE1 HIS A 83 -3.416 6.980 -2.425 1.00 0.65 H new ATOM 1299 N PHE A 84 -1.037 0.873 -1.956 1.00 0.62 N ATOM 1300 CA PHE A 84 -1.659 0.108 -3.038 1.00 0.58 C ATOM 1301 C PHE A 84 -3.177 0.309 -3.039 1.00 0.54 C ATOM 1302 O PHE A 84 -3.810 0.239 -1.992 1.00 0.61 O ATOM 1303 CB PHE A 84 -1.294 -1.374 -2.908 1.00 0.70 C ATOM 1304 CG PHE A 84 0.163 -1.634 -3.221 1.00 0.80 C ATOM 1305 CD1 PHE A 84 0.583 -1.791 -4.555 1.00 1.89 C ATOM 1306 CD2 PHE A 84 1.112 -1.643 -2.184 1.00 1.39 C ATOM 1307 CE1 PHE A 84 1.946 -1.966 -4.849 1.00 2.00 C ATOM 1308 CE2 PHE A 84 2.476 -1.798 -2.481 1.00 1.43 C ATOM 1309 CZ PHE A 84 2.894 -1.961 -3.810 1.00 1.10 C ATOM 0 H PHE A 84 -0.912 0.352 -1.088 1.00 0.62 H new ATOM 0 HA PHE A 84 -1.279 0.472 -3.993 1.00 0.58 H new ATOM 0 HB2 PHE A 84 -1.512 -1.712 -1.895 1.00 0.70 H new ATOM 0 HB3 PHE A 84 -1.919 -1.961 -3.582 1.00 0.70 H new ATOM 0 HD1 PHE A 84 -0.143 -1.777 -5.354 1.00 1.89 H new ATOM 0 HD2 PHE A 84 0.792 -1.531 -1.159 1.00 1.39 H new ATOM 0 HE1 PHE A 84 2.265 -2.104 -5.871 1.00 2.00 H new ATOM 0 HE2 PHE A 84 3.205 -1.792 -1.684 1.00 1.43 H new ATOM 0 HZ PHE A 84 3.943 -2.083 -4.035 1.00 1.10 H new ATOM 1319 N MET A 85 -3.781 0.503 -4.209 1.00 0.53 N ATOM 1320 CA MET A 85 -5.207 0.289 -4.450 1.00 0.53 C ATOM 1321 C MET A 85 -5.431 -1.194 -4.752 1.00 0.50 C ATOM 1322 O MET A 85 -4.643 -1.809 -5.468 1.00 0.53 O ATOM 1323 CB MET A 85 -5.702 1.164 -5.606 1.00 0.60 C ATOM 1324 CG MET A 85 -7.046 1.822 -5.263 1.00 0.67 C ATOM 1325 SD MET A 85 -6.979 3.051 -3.917 1.00 0.58 S ATOM 1326 CE MET A 85 -8.757 3.305 -3.638 1.00 0.65 C ATOM 0 H MET A 85 -3.279 0.822 -5.038 1.00 0.53 H new ATOM 0 HA MET A 85 -5.776 0.572 -3.565 1.00 0.53 H new ATOM 0 HB2 MET A 85 -4.962 1.934 -5.827 1.00 0.60 H new ATOM 0 HB3 MET A 85 -5.809 0.558 -6.505 1.00 0.60 H new ATOM 0 HG2 MET A 85 -7.436 2.306 -6.158 1.00 0.67 H new ATOM 0 HG3 MET A 85 -7.756 1.042 -4.988 1.00 0.67 H new ATOM 0 HE1 MET A 85 -8.900 4.034 -2.840 1.00 0.65 H new ATOM 0 HE2 MET A 85 -9.220 3.674 -4.553 1.00 0.65 H new ATOM 0 HE3 MET A 85 -9.219 2.360 -3.353 1.00 0.65 H new ATOM 1336 N LEU A 86 -6.494 -1.779 -4.214 1.00 0.52 N ATOM 1337 CA LEU A 86 -6.871 -3.181 -4.406 1.00 0.52 C ATOM 1338 C LEU A 86 -8.234 -3.230 -5.095 1.00 0.54 C ATOM 1339 O LEU A 86 -9.151 -2.532 -4.662 1.00 0.63 O ATOM 1340 CB LEU A 86 -6.989 -3.871 -3.036 1.00 0.53 C ATOM 1341 CG LEU A 86 -5.687 -4.341 -2.356 1.00 0.50 C ATOM 1342 CD1 LEU A 86 -4.586 -3.284 -2.216 1.00 0.65 C ATOM 1343 CD2 LEU A 86 -6.045 -4.849 -0.950 1.00 0.61 C ATOM 0 H LEU A 86 -7.143 -1.275 -3.610 1.00 0.52 H new ATOM 0 HA LEU A 86 -6.118 -3.686 -5.011 1.00 0.52 H new ATOM 0 HB2 LEU A 86 -7.493 -3.184 -2.357 1.00 0.53 H new ATOM 0 HB3 LEU A 86 -7.639 -4.738 -3.152 1.00 0.53 H new ATOM 0 HG LEU A 86 -5.272 -5.109 -3.009 1.00 0.50 H new ATOM 0 HD11 LEU A 86 -3.719 -3.725 -1.725 1.00 0.65 H new ATOM 0 HD12 LEU A 86 -4.299 -2.924 -3.204 1.00 0.65 H new ATOM 0 HD13 LEU A 86 -4.956 -2.450 -1.619 1.00 0.65 H new ATOM 0 HD21 LEU A 86 -5.141 -5.189 -0.445 1.00 0.61 H new ATOM 0 HD22 LEU A 86 -6.500 -4.041 -0.376 1.00 0.61 H new ATOM 0 HD23 LEU A 86 -6.749 -5.678 -1.031 1.00 0.61 H new ATOM 1355 N LEU A 87 -8.396 -4.078 -6.114 1.00 0.50 N ATOM 1356 CA LEU A 87 -9.668 -4.243 -6.819 1.00 0.51 C ATOM 1357 C LEU A 87 -10.032 -5.718 -7.003 1.00 0.49 C ATOM 1358 O LEU A 87 -9.198 -6.535 -7.391 1.00 0.57 O ATOM 1359 CB LEU A 87 -9.636 -3.541 -8.189 1.00 0.66 C ATOM 1360 CG LEU A 87 -9.354 -2.021 -8.150 1.00 0.93 C ATOM 1361 CD1 LEU A 87 -7.861 -1.691 -8.316 1.00 1.74 C ATOM 1362 CD2 LEU A 87 -10.140 -1.335 -9.274 1.00 1.59 C ATOM 0 H LEU A 87 -7.647 -4.670 -6.473 1.00 0.50 H new ATOM 0 HA LEU A 87 -10.434 -3.779 -6.198 1.00 0.51 H new ATOM 0 HB2 LEU A 87 -8.874 -4.019 -8.805 1.00 0.66 H new ATOM 0 HB3 LEU A 87 -10.594 -3.703 -8.684 1.00 0.66 H new ATOM 0 HG LEU A 87 -9.666 -1.658 -7.171 1.00 0.93 H new ATOM 0 HD11 LEU A 87 -7.721 -0.611 -8.281 1.00 1.74 H new ATOM 0 HD12 LEU A 87 -7.294 -2.157 -7.510 1.00 1.74 H new ATOM 0 HD13 LEU A 87 -7.509 -2.072 -9.275 1.00 1.74 H new ATOM 0 HD21 LEU A 87 -9.946 -0.263 -9.252 1.00 1.59 H new ATOM 0 HD22 LEU A 87 -9.828 -1.741 -10.236 1.00 1.59 H new ATOM 0 HD23 LEU A 87 -11.206 -1.513 -9.134 1.00 1.59 H new ATOM 1374 N GLY A 88 -11.309 -6.038 -6.780 1.00 0.50 N ATOM 1375 CA GLY A 88 -11.914 -7.345 -7.057 1.00 0.55 C ATOM 1376 C GLY A 88 -11.592 -8.392 -5.996 1.00 0.58 C ATOM 1377 O GLY A 88 -11.164 -9.483 -6.366 1.00 0.81 O ATOM 0 H GLY A 88 -11.974 -5.372 -6.388 1.00 0.50 H new ATOM 0 HA2 GLY A 88 -12.996 -7.230 -7.128 1.00 0.55 H new ATOM 0 HA3 GLY A 88 -11.567 -7.701 -8.027 1.00 0.55 H new ATOM 1381 N LEU A 89 -11.743 -8.055 -4.708 1.00 0.52 N ATOM 1382 CA LEU A 89 -11.430 -8.939 -3.573 1.00 0.61 C ATOM 1383 C LEU A 89 -12.113 -10.307 -3.592 1.00 0.70 C ATOM 1384 O LEU A 89 -13.222 -10.492 -4.088 1.00 0.91 O ATOM 1385 CB LEU A 89 -11.591 -8.244 -2.211 1.00 0.72 C ATOM 1386 CG LEU A 89 -12.813 -7.330 -1.972 1.00 0.78 C ATOM 1387 CD1 LEU A 89 -14.156 -8.032 -2.207 1.00 1.33 C ATOM 1388 CD2 LEU A 89 -12.738 -6.828 -0.527 1.00 1.25 C ATOM 0 H LEU A 89 -12.093 -7.142 -4.418 1.00 0.52 H new ATOM 0 HA LEU A 89 -10.372 -9.158 -3.715 1.00 0.61 H new ATOM 0 HB2 LEU A 89 -11.607 -9.020 -1.446 1.00 0.72 H new ATOM 0 HB3 LEU A 89 -10.696 -7.646 -2.040 1.00 0.72 H new ATOM 0 HG LEU A 89 -12.773 -6.512 -2.692 1.00 0.78 H new ATOM 0 HD11 LEU A 89 -14.970 -7.332 -2.021 1.00 1.33 H new ATOM 0 HD12 LEU A 89 -14.208 -8.383 -3.238 1.00 1.33 H new ATOM 0 HD13 LEU A 89 -14.246 -8.881 -1.530 1.00 1.33 H new ATOM 0 HD21 LEU A 89 -13.589 -6.177 -0.323 1.00 1.25 H new ATOM 0 HD22 LEU A 89 -12.760 -7.678 0.155 1.00 1.25 H new ATOM 0 HD23 LEU A 89 -11.812 -6.271 -0.383 1.00 1.25 H new ATOM 1400 N LYS A 90 -11.383 -11.285 -3.048 1.00 0.82 N ATOM 1401 CA LYS A 90 -11.764 -12.711 -3.106 1.00 0.94 C ATOM 1402 C LYS A 90 -12.332 -13.258 -1.787 1.00 1.08 C ATOM 1403 O LYS A 90 -12.793 -14.398 -1.736 1.00 1.24 O ATOM 1404 CB LYS A 90 -10.611 -13.576 -3.666 1.00 1.01 C ATOM 1405 CG LYS A 90 -9.961 -13.069 -4.973 1.00 1.00 C ATOM 1406 CD LYS A 90 -11.046 -12.695 -5.979 1.00 1.32 C ATOM 1407 CE LYS A 90 -10.569 -12.426 -7.406 1.00 1.38 C ATOM 1408 NZ LYS A 90 -11.702 -11.879 -8.194 1.00 2.52 N ATOM 0 H LYS A 90 -10.508 -11.116 -2.552 1.00 0.82 H new ATOM 0 HA LYS A 90 -12.595 -12.777 -3.808 1.00 0.94 H new ATOM 0 HB2 LYS A 90 -9.836 -13.652 -2.903 1.00 1.01 H new ATOM 0 HB3 LYS A 90 -10.989 -14.584 -3.838 1.00 1.01 H new ATOM 0 HG2 LYS A 90 -9.331 -12.204 -4.765 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -9.315 -13.840 -5.391 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -11.781 -13.500 -6.008 1.00 1.32 H new ATOM 0 HD3 LYS A 90 -11.561 -11.806 -5.615 1.00 1.32 H new ATOM 0 HE2 LYS A 90 -9.738 -11.720 -7.400 1.00 1.38 H new ATOM 0 HE3 LYS A 90 -10.202 -13.346 -7.861 1.00 1.38 H new ATOM 0 HZ1 LYS A 90 -11.380 -11.660 -9.158 1.00 2.52 H new ATOM 0 HZ2 LYS A 90 -12.467 -12.582 -8.235 1.00 2.52 H new ATOM 0 HZ3 LYS A 90 -12.053 -11.011 -7.741 1.00 2.52 H new ATOM 1422 N ARG A 91 -12.351 -12.440 -0.729 1.00 1.10 N ATOM 1423 CA ARG A 91 -13.000 -12.726 0.549 1.00 1.32 C ATOM 1424 C ARG A 91 -13.510 -11.443 1.239 1.00 1.28 C ATOM 1425 O ARG A 91 -12.796 -10.439 1.212 1.00 1.31 O ATOM 1426 CB ARG A 91 -12.031 -13.533 1.426 1.00 1.78 C ATOM 1427 CG ARG A 91 -10.692 -12.844 1.737 1.00 2.06 C ATOM 1428 CD ARG A 91 -9.767 -13.643 2.668 1.00 2.83 C ATOM 1429 NE ARG A 91 -10.335 -13.796 4.019 1.00 3.04 N ATOM 1430 CZ ARG A 91 -10.415 -12.858 4.958 1.00 4.23 C ATOM 1431 NH1 ARG A 91 -9.926 -11.646 4.810 1.00 5.38 N ATOM 1432 NH2 ARG A 91 -11.021 -13.150 6.082 1.00 4.96 N ATOM 0 H ARG A 91 -11.897 -11.527 -0.743 1.00 1.10 H new ATOM 0 HA ARG A 91 -13.893 -13.327 0.377 1.00 1.32 H new ATOM 0 HB2 ARG A 91 -12.528 -13.765 2.368 1.00 1.78 H new ATOM 0 HB3 ARG A 91 -11.825 -14.482 0.932 1.00 1.78 H new ATOM 0 HG2 ARG A 91 -10.169 -12.655 0.800 1.00 2.06 H new ATOM 0 HG3 ARG A 91 -10.894 -11.874 2.191 1.00 2.06 H new ATOM 0 HD2 ARG A 91 -9.585 -14.628 2.239 1.00 2.83 H new ATOM 0 HD3 ARG A 91 -8.802 -13.142 2.736 1.00 2.83 H new ATOM 0 HE ARG A 91 -10.705 -14.716 4.258 1.00 3.04 H new ATOM 0 HH11 ARG A 91 -9.458 -11.388 3.942 1.00 5.38 H new ATOM 0 HH12 ARG A 91 -10.015 -10.965 5.564 1.00 5.38 H new ATOM 0 HH21 ARG A 91 -11.418 -14.079 6.221 1.00 4.96 H new ATOM 0 HH22 ARG A 91 -11.096 -12.448 6.818 1.00 4.96 H new ATOM 1446 N PRO A 92 -14.714 -11.465 1.853 1.00 1.44 N ATOM 1447 CA PRO A 92 -15.231 -10.360 2.652 1.00 1.57 C ATOM 1448 C PRO A 92 -14.544 -10.348 4.019 1.00 1.83 C ATOM 1449 O PRO A 92 -14.377 -11.391 4.662 1.00 2.24 O ATOM 1450 CB PRO A 92 -16.737 -10.603 2.765 1.00 1.77 C ATOM 1451 CG PRO A 92 -16.851 -12.125 2.718 1.00 1.92 C ATOM 1452 CD PRO A 92 -15.702 -12.538 1.797 1.00 1.66 C ATOM 0 HA PRO A 92 -15.037 -9.386 2.202 1.00 1.57 H new ATOM 0 HB2 PRO A 92 -17.142 -10.198 3.692 1.00 1.77 H new ATOM 0 HB3 PRO A 92 -17.283 -10.133 1.947 1.00 1.77 H new ATOM 0 HG2 PRO A 92 -16.750 -12.566 3.709 1.00 1.92 H new ATOM 0 HG3 PRO A 92 -17.816 -12.444 2.324 1.00 1.92 H new ATOM 0 HD2 PRO A 92 -15.266 -13.483 2.122 1.00 1.66 H new ATOM 0 HD3 PRO A 92 -16.057 -12.685 0.777 1.00 1.66 H new ATOM 1460 N LEU A 93 -14.132 -9.157 4.457 1.00 1.82 N ATOM 1461 CA LEU A 93 -13.269 -8.945 5.599 1.00 2.05 C ATOM 1462 C LEU A 93 -14.095 -8.693 6.866 1.00 2.52 C ATOM 1463 O LEU A 93 -15.302 -8.918 6.911 1.00 3.82 O ATOM 1464 CB LEU A 93 -12.287 -7.791 5.267 1.00 2.05 C ATOM 1465 CG LEU A 93 -11.381 -8.059 4.040 1.00 2.11 C ATOM 1466 CD1 LEU A 93 -11.969 -7.471 2.752 1.00 2.40 C ATOM 1467 CD2 LEU A 93 -9.990 -7.443 4.229 1.00 2.49 C ATOM 0 H LEU A 93 -14.406 -8.286 4.002 1.00 1.82 H new ATOM 0 HA LEU A 93 -12.680 -9.838 5.807 1.00 2.05 H new ATOM 0 HB2 LEU A 93 -12.861 -6.881 5.089 1.00 2.05 H new ATOM 0 HB3 LEU A 93 -11.656 -7.605 6.136 1.00 2.05 H new ATOM 0 HG LEU A 93 -11.312 -9.143 3.955 1.00 2.11 H new ATOM 0 HD11 LEU A 93 -11.301 -7.683 1.917 1.00 2.40 H new ATOM 0 HD12 LEU A 93 -12.944 -7.919 2.559 1.00 2.40 H new ATOM 0 HD13 LEU A 93 -12.081 -6.392 2.863 1.00 2.40 H new ATOM 0 HD21 LEU A 93 -9.378 -7.649 3.350 1.00 2.49 H new ATOM 0 HD22 LEU A 93 -10.084 -6.365 4.361 1.00 2.49 H new ATOM 0 HD23 LEU A 93 -9.517 -7.876 5.110 1.00 2.49 H new ATOM 1479 N LYS A 94 -13.415 -8.245 7.906 1.00 1.80 N ATOM 1480 CA LYS A 94 -13.952 -7.624 9.126 1.00 1.84 C ATOM 1481 C LYS A 94 -13.124 -6.367 9.450 1.00 1.16 C ATOM 1482 O LYS A 94 -12.048 -6.158 8.891 1.00 1.43 O ATOM 1483 CB LYS A 94 -13.895 -8.544 10.375 1.00 2.58 C ATOM 1484 CG LYS A 94 -14.156 -10.043 10.243 1.00 3.19 C ATOM 1485 CD LYS A 94 -15.548 -10.453 9.744 1.00 3.11 C ATOM 1486 CE LYS A 94 -15.488 -11.765 8.941 1.00 3.87 C ATOM 1487 NZ LYS A 94 -14.706 -11.615 7.687 1.00 3.99 N ATOM 0 H LYS A 94 -12.397 -8.305 7.932 1.00 1.80 H new ATOM 0 HA LYS A 94 -14.999 -7.403 8.919 1.00 1.84 H new ATOM 0 HB2 LYS A 94 -12.905 -8.427 10.817 1.00 2.58 H new ATOM 0 HB3 LYS A 94 -14.614 -8.154 11.096 1.00 2.58 H new ATOM 0 HG2 LYS A 94 -13.413 -10.460 9.563 1.00 3.19 H new ATOM 0 HG3 LYS A 94 -13.993 -10.505 11.217 1.00 3.19 H new ATOM 0 HD2 LYS A 94 -16.220 -10.574 10.593 1.00 3.11 H new ATOM 0 HD3 LYS A 94 -15.962 -9.660 9.120 1.00 3.11 H new ATOM 0 HE2 LYS A 94 -15.041 -12.546 9.556 1.00 3.87 H new ATOM 0 HE3 LYS A 94 -16.500 -12.089 8.700 1.00 3.87 H new ATOM 0 HZ1 LYS A 94 -14.676 -12.526 7.185 1.00 3.99 H new ATOM 0 HZ2 LYS A 94 -15.156 -10.900 7.081 1.00 3.99 H new ATOM 0 HZ3 LYS A 94 -13.737 -11.314 7.916 1.00 3.99 H new ATOM 1501 N ALA A 95 -13.566 -5.600 10.439 1.00 1.14 N ATOM 1502 CA ALA A 95 -12.587 -5.051 11.375 1.00 1.07 C ATOM 1503 C ALA A 95 -12.242 -6.146 12.391 1.00 1.08 C ATOM 1504 O ALA A 95 -13.154 -6.771 12.932 1.00 1.23 O ATOM 1505 CB ALA A 95 -13.129 -3.791 12.044 1.00 1.19 C ATOM 0 H ALA A 95 -14.540 -5.352 10.612 1.00 1.14 H new ATOM 0 HA ALA A 95 -11.679 -4.751 10.852 1.00 1.07 H new ATOM 0 HB1 ALA A 95 -12.385 -3.398 12.737 1.00 1.19 H new ATOM 0 HB2 ALA A 95 -13.349 -3.041 11.284 1.00 1.19 H new ATOM 0 HB3 ALA A 95 -14.041 -4.032 12.590 1.00 1.19 H new ATOM 1511 N GLY A 96 -10.946 -6.389 12.586 1.00 1.04 N ATOM 1512 CA GLY A 96 -10.428 -7.546 13.319 1.00 1.10 C ATOM 1513 C GLY A 96 -10.096 -8.705 12.381 1.00 1.04 C ATOM 1514 O GLY A 96 -10.654 -9.788 12.527 1.00 1.36 O ATOM 0 H GLY A 96 -10.212 -5.776 12.232 1.00 1.04 H new ATOM 0 HA2 GLY A 96 -9.534 -7.257 13.871 1.00 1.10 H new ATOM 0 HA3 GLY A 96 -11.165 -7.871 14.053 1.00 1.10 H new ATOM 1518 N GLU A 97 -9.199 -8.446 11.427 1.00 1.37 N ATOM 1519 CA GLU A 97 -8.448 -9.459 10.667 1.00 1.47 C ATOM 1520 C GLU A 97 -6.992 -9.011 10.422 1.00 1.39 C ATOM 1521 O GLU A 97 -6.626 -7.865 10.705 1.00 1.23 O ATOM 1522 CB GLU A 97 -9.072 -9.752 9.292 1.00 1.51 C ATOM 1523 CG GLU A 97 -10.594 -9.932 9.262 1.00 1.54 C ATOM 1524 CD GLU A 97 -11.077 -10.442 7.906 1.00 1.68 C ATOM 1525 OE1 GLU A 97 -10.581 -9.980 6.862 1.00 2.99 O ATOM 1526 OE2 GLU A 97 -11.989 -11.303 7.839 1.00 1.72 O ATOM 0 H GLU A 97 -8.964 -7.493 11.149 1.00 1.37 H new ATOM 0 HA GLU A 97 -8.480 -10.360 11.280 1.00 1.47 H new ATOM 0 HB2 GLU A 97 -8.810 -8.937 8.617 1.00 1.51 H new ATOM 0 HB3 GLU A 97 -8.612 -10.656 8.893 1.00 1.51 H new ATOM 0 HG2 GLU A 97 -10.893 -10.633 10.042 1.00 1.54 H new ATOM 0 HG3 GLU A 97 -11.077 -8.981 9.486 1.00 1.54 H new ATOM 1533 N GLU A 98 -6.198 -9.899 9.816 1.00 1.55 N ATOM 1534 CA GLU A 98 -4.749 -9.831 9.634 1.00 1.66 C ATOM 1535 C GLU A 98 -4.366 -10.416 8.257 1.00 1.87 C ATOM 1536 O GLU A 98 -4.113 -11.606 8.098 1.00 2.87 O ATOM 1537 CB GLU A 98 -4.046 -10.529 10.823 1.00 1.89 C ATOM 1538 CG GLU A 98 -4.448 -11.980 11.176 1.00 2.16 C ATOM 1539 CD GLU A 98 -5.890 -12.110 11.668 1.00 2.46 C ATOM 1540 OE1 GLU A 98 -6.101 -11.868 12.877 1.00 3.36 O ATOM 1541 OE2 GLU A 98 -6.776 -12.390 10.824 1.00 3.40 O ATOM 0 H GLU A 98 -6.585 -10.750 9.409 1.00 1.55 H new ATOM 0 HA GLU A 98 -4.408 -8.796 9.633 1.00 1.66 H new ATOM 0 HB2 GLU A 98 -2.974 -10.522 10.623 1.00 1.89 H new ATOM 0 HB3 GLU A 98 -4.209 -9.916 11.709 1.00 1.89 H new ATOM 0 HG2 GLU A 98 -4.314 -12.610 10.297 1.00 2.16 H new ATOM 0 HG3 GLU A 98 -3.774 -12.359 11.945 1.00 2.16 H new ATOM 1548 N VAL A 99 -4.379 -9.578 7.215 1.00 1.11 N ATOM 1549 CA VAL A 99 -4.533 -10.020 5.816 1.00 0.83 C ATOM 1550 C VAL A 99 -3.266 -9.775 4.991 1.00 0.75 C ATOM 1551 O VAL A 99 -2.541 -8.798 5.190 1.00 0.94 O ATOM 1552 CB VAL A 99 -5.797 -9.391 5.183 1.00 0.89 C ATOM 1553 CG1 VAL A 99 -5.999 -9.767 3.703 1.00 1.42 C ATOM 1554 CG2 VAL A 99 -7.033 -9.874 5.964 1.00 1.50 C ATOM 0 H VAL A 99 -4.283 -8.567 7.314 1.00 1.11 H new ATOM 0 HA VAL A 99 -4.676 -11.101 5.815 1.00 0.83 H new ATOM 0 HB VAL A 99 -5.666 -8.310 5.233 1.00 0.89 H new ATOM 0 HG11 VAL A 99 -6.904 -9.290 3.327 1.00 1.42 H new ATOM 0 HG12 VAL A 99 -5.142 -9.428 3.121 1.00 1.42 H new ATOM 0 HG13 VAL A 99 -6.094 -10.849 3.612 1.00 1.42 H new ATOM 0 HG21 VAL A 99 -7.932 -9.438 5.528 1.00 1.50 H new ATOM 0 HG22 VAL A 99 -7.095 -10.961 5.911 1.00 1.50 H new ATOM 0 HG23 VAL A 99 -6.948 -9.565 7.006 1.00 1.50 H new ATOM 1564 N GLU A 100 -2.998 -10.703 4.073 1.00 0.77 N ATOM 1565 CA GLU A 100 -1.728 -10.816 3.359 1.00 0.81 C ATOM 1566 C GLU A 100 -1.570 -9.816 2.202 1.00 0.82 C ATOM 1567 O GLU A 100 -2.487 -9.611 1.401 1.00 0.91 O ATOM 1568 CB GLU A 100 -1.565 -12.225 2.771 1.00 1.20 C ATOM 1569 CG GLU A 100 -1.814 -13.381 3.751 1.00 1.41 C ATOM 1570 CD GLU A 100 -1.462 -14.704 3.078 1.00 1.63 C ATOM 1571 OE1 GLU A 100 -1.806 -14.890 1.890 1.00 2.59 O ATOM 1572 OE2 GLU A 100 -0.689 -15.498 3.656 1.00 1.96 O ATOM 0 H GLU A 100 -3.675 -11.415 3.799 1.00 0.77 H new ATOM 0 HA GLU A 100 -0.965 -10.597 4.106 1.00 0.81 H new ATOM 0 HB2 GLU A 100 -2.250 -12.331 1.930 1.00 1.20 H new ATOM 0 HB3 GLU A 100 -0.555 -12.320 2.373 1.00 1.20 H new ATOM 0 HG2 GLU A 100 -1.212 -13.246 4.649 1.00 1.41 H new ATOM 0 HG3 GLU A 100 -2.858 -13.387 4.065 1.00 1.41 H new ATOM 1579 N LEU A 101 -0.345 -9.299 2.058 1.00 0.78 N ATOM 1580 CA LEU A 101 0.182 -8.682 0.837 1.00 0.74 C ATOM 1581 C LEU A 101 1.491 -9.386 0.451 1.00 0.64 C ATOM 1582 O LEU A 101 2.306 -9.727 1.312 1.00 0.67 O ATOM 1583 CB LEU A 101 0.449 -7.175 1.054 1.00 0.79 C ATOM 1584 CG LEU A 101 -0.649 -6.177 0.619 1.00 1.03 C ATOM 1585 CD1 LEU A 101 -0.695 -6.010 -0.906 1.00 2.67 C ATOM 1586 CD2 LEU A 101 -2.049 -6.463 1.171 1.00 2.38 C ATOM 0 H LEU A 101 0.333 -9.299 2.820 1.00 0.78 H new ATOM 0 HA LEU A 101 -0.553 -8.788 0.039 1.00 0.74 H new ATOM 0 HB2 LEU A 101 0.642 -7.019 2.115 1.00 0.79 H new ATOM 0 HB3 LEU A 101 1.365 -6.917 0.522 1.00 0.79 H new ATOM 0 HG LEU A 101 -0.345 -5.236 1.077 1.00 1.03 H new ATOM 0 HD11 LEU A 101 -1.479 -5.301 -1.171 1.00 2.67 H new ATOM 0 HD12 LEU A 101 0.266 -5.637 -1.260 1.00 2.67 H new ATOM 0 HD13 LEU A 101 -0.904 -6.973 -1.371 1.00 2.67 H new ATOM 0 HD21 LEU A 101 -2.745 -5.707 0.808 1.00 2.38 H new ATOM 0 HD22 LEU A 101 -2.377 -7.448 0.838 1.00 2.38 H new ATOM 0 HD23 LEU A 101 -2.023 -6.438 2.260 1.00 2.38 H new ATOM 1598 N ASP A 102 1.699 -9.537 -0.853 1.00 0.65 N ATOM 1599 CA ASP A 102 2.911 -10.030 -1.507 1.00 0.60 C ATOM 1600 C ASP A 102 3.509 -8.872 -2.332 1.00 0.75 C ATOM 1601 O ASP A 102 2.822 -8.293 -3.175 1.00 1.07 O ATOM 1602 CB ASP A 102 2.534 -11.199 -2.435 1.00 0.73 C ATOM 1603 CG ASP A 102 2.171 -12.528 -1.759 1.00 1.18 C ATOM 1604 OD1 ASP A 102 2.555 -12.771 -0.598 1.00 2.18 O ATOM 1605 OD2 ASP A 102 1.530 -13.345 -2.466 1.00 1.84 O ATOM 0 H ASP A 102 0.974 -9.302 -1.531 1.00 0.65 H new ATOM 0 HA ASP A 102 3.639 -10.379 -0.774 1.00 0.60 H new ATOM 0 HB2 ASP A 102 1.688 -10.887 -3.048 1.00 0.73 H new ATOM 0 HB3 ASP A 102 3.369 -11.379 -3.112 1.00 0.73 H new ATOM 1610 N LEU A 103 4.764 -8.500 -2.082 1.00 0.64 N ATOM 1611 CA LEU A 103 5.436 -7.301 -2.583 1.00 0.60 C ATOM 1612 C LEU A 103 6.301 -7.656 -3.800 1.00 0.63 C ATOM 1613 O LEU A 103 7.143 -8.547 -3.689 1.00 0.71 O ATOM 1614 CB LEU A 103 6.351 -6.809 -1.445 1.00 0.65 C ATOM 1615 CG LEU A 103 5.697 -6.141 -0.218 1.00 0.68 C ATOM 1616 CD1 LEU A 103 4.367 -6.715 0.281 1.00 1.11 C ATOM 1617 CD2 LEU A 103 6.705 -6.185 0.940 1.00 1.48 C ATOM 0 H LEU A 103 5.375 -9.061 -1.489 1.00 0.64 H new ATOM 0 HA LEU A 103 4.712 -6.543 -2.882 1.00 0.60 H new ATOM 0 HB2 LEU A 103 6.929 -7.663 -1.090 1.00 0.65 H new ATOM 0 HB3 LEU A 103 7.060 -6.099 -1.872 1.00 0.65 H new ATOM 0 HG LEU A 103 5.442 -5.138 -0.559 1.00 0.68 H new ATOM 0 HD11 LEU A 103 4.027 -6.147 1.147 1.00 1.11 H new ATOM 0 HD12 LEU A 103 3.622 -6.648 -0.512 1.00 1.11 H new ATOM 0 HD13 LEU A 103 4.504 -7.759 0.563 1.00 1.11 H new ATOM 0 HD21 LEU A 103 6.267 -5.718 1.822 1.00 1.48 H new ATOM 0 HD22 LEU A 103 6.956 -7.222 1.165 1.00 1.48 H new ATOM 0 HD23 LEU A 103 7.609 -5.647 0.656 1.00 1.48 H new ATOM 1629 N LEU A 104 6.142 -6.956 -4.931 1.00 0.60 N ATOM 1630 CA LEU A 104 6.881 -7.224 -6.167 1.00 0.61 C ATOM 1631 C LEU A 104 7.971 -6.164 -6.386 1.00 0.63 C ATOM 1632 O LEU A 104 7.706 -4.981 -6.636 1.00 0.65 O ATOM 1633 CB LEU A 104 5.910 -7.289 -7.358 1.00 0.62 C ATOM 1634 CG LEU A 104 4.747 -8.296 -7.234 1.00 0.61 C ATOM 1635 CD1 LEU A 104 3.921 -8.292 -8.526 1.00 0.65 C ATOM 1636 CD2 LEU A 104 5.215 -9.727 -6.926 1.00 0.62 C ATOM 0 H LEU A 104 5.487 -6.178 -5.012 1.00 0.60 H new ATOM 0 HA LEU A 104 7.377 -8.191 -6.082 1.00 0.61 H new ATOM 0 HB2 LEU A 104 5.488 -6.296 -7.511 1.00 0.62 H new ATOM 0 HB3 LEU A 104 6.482 -7.534 -8.253 1.00 0.62 H new ATOM 0 HG LEU A 104 4.139 -7.973 -6.389 1.00 0.61 H new ATOM 0 HD11 LEU A 104 3.101 -9.004 -8.436 1.00 0.65 H new ATOM 0 HD12 LEU A 104 3.518 -7.294 -8.697 1.00 0.65 H new ATOM 0 HD13 LEU A 104 4.556 -8.575 -9.365 1.00 0.65 H new ATOM 0 HD21 LEU A 104 4.349 -10.385 -6.852 1.00 0.62 H new ATOM 0 HD22 LEU A 104 5.868 -10.076 -7.726 1.00 0.62 H new ATOM 0 HD23 LEU A 104 5.760 -9.736 -5.982 1.00 0.62 H new ATOM 1648 N PHE A 105 9.219 -6.603 -6.293 1.00 0.65 N ATOM 1649 CA PHE A 105 10.405 -5.785 -6.502 1.00 0.75 C ATOM 1650 C PHE A 105 10.988 -6.031 -7.899 1.00 0.87 C ATOM 1651 O PHE A 105 10.830 -7.107 -8.486 1.00 1.20 O ATOM 1652 CB PHE A 105 11.427 -6.089 -5.401 1.00 0.84 C ATOM 1653 CG PHE A 105 10.921 -5.820 -3.995 1.00 0.80 C ATOM 1654 CD1 PHE A 105 11.107 -4.546 -3.426 1.00 1.86 C ATOM 1655 CD2 PHE A 105 10.253 -6.821 -3.256 1.00 1.99 C ATOM 1656 CE1 PHE A 105 10.671 -4.280 -2.119 1.00 1.81 C ATOM 1657 CE2 PHE A 105 9.831 -6.552 -1.945 1.00 2.04 C ATOM 1658 CZ PHE A 105 10.051 -5.291 -1.369 1.00 0.84 C ATOM 0 H PHE A 105 9.440 -7.572 -6.062 1.00 0.65 H new ATOM 0 HA PHE A 105 10.139 -4.730 -6.446 1.00 0.75 H new ATOM 0 HB2 PHE A 105 11.724 -7.135 -5.475 1.00 0.84 H new ATOM 0 HB3 PHE A 105 12.321 -5.490 -5.575 1.00 0.84 H new ATOM 0 HD1 PHE A 105 11.589 -3.768 -3.999 1.00 1.86 H new ATOM 0 HD2 PHE A 105 10.068 -7.789 -3.698 1.00 1.99 H new ATOM 0 HE1 PHE A 105 10.812 -3.299 -1.691 1.00 1.81 H new ATOM 0 HE2 PHE A 105 9.333 -7.322 -1.374 1.00 2.04 H new ATOM 0 HZ PHE A 105 9.744 -5.099 -0.351 1.00 0.84 H new ATOM 1668 N ALA A 106 11.708 -5.027 -8.405 1.00 0.75 N ATOM 1669 CA ALA A 106 12.516 -5.141 -9.618 1.00 0.79 C ATOM 1670 C ALA A 106 13.448 -6.367 -9.541 1.00 1.14 C ATOM 1671 O ALA A 106 13.968 -6.692 -8.472 1.00 1.70 O ATOM 1672 CB ALA A 106 13.287 -3.829 -9.819 1.00 1.07 C ATOM 0 H ALA A 106 11.746 -4.102 -7.978 1.00 0.75 H new ATOM 0 HA ALA A 106 11.875 -5.300 -10.485 1.00 0.79 H new ATOM 0 HB1 ALA A 106 13.895 -3.899 -10.721 1.00 1.07 H new ATOM 0 HB2 ALA A 106 12.582 -3.004 -9.920 1.00 1.07 H new ATOM 0 HB3 ALA A 106 13.933 -3.651 -8.959 1.00 1.07 H new ATOM 1678 N GLY A 107 13.620 -7.065 -10.670 1.00 1.84 N ATOM 1679 CA GLY A 107 14.326 -8.353 -10.739 1.00 2.44 C ATOM 1680 C GLY A 107 13.429 -9.580 -10.525 1.00 2.08 C ATOM 1681 O GLY A 107 13.930 -10.698 -10.607 1.00 3.05 O ATOM 0 H GLY A 107 13.269 -6.748 -11.574 1.00 1.84 H new ATOM 0 HA2 GLY A 107 14.809 -8.437 -11.712 1.00 2.44 H new ATOM 0 HA3 GLY A 107 15.117 -8.361 -9.989 1.00 2.44 H new ATOM 1685 N GLY A 108 12.125 -9.397 -10.276 1.00 1.53 N ATOM 1686 CA GLY A 108 11.147 -10.494 -10.183 1.00 2.26 C ATOM 1687 C GLY A 108 10.982 -11.075 -8.777 1.00 2.31 C ATOM 1688 O GLY A 108 10.374 -12.129 -8.609 1.00 3.28 O ATOM 0 H GLY A 108 11.714 -8.475 -10.132 1.00 1.53 H new ATOM 0 HA2 GLY A 108 10.179 -10.132 -10.529 1.00 2.26 H new ATOM 0 HA3 GLY A 108 11.450 -11.293 -10.860 1.00 2.26 H new ATOM 1692 N LYS A 109 11.497 -10.406 -7.741 1.00 1.43 N ATOM 1693 CA LYS A 109 11.421 -10.865 -6.366 1.00 1.44 C ATOM 1694 C LYS A 109 10.030 -10.608 -5.776 1.00 1.30 C ATOM 1695 O LYS A 109 9.524 -9.490 -5.842 1.00 1.11 O ATOM 1696 CB LYS A 109 12.476 -10.091 -5.577 1.00 1.40 C ATOM 1697 CG LYS A 109 12.489 -10.408 -4.085 1.00 2.61 C ATOM 1698 CD LYS A 109 13.587 -9.627 -3.355 1.00 2.97 C ATOM 1699 CE LYS A 109 13.476 -9.860 -1.843 1.00 5.12 C ATOM 1700 NZ LYS A 109 14.564 -9.178 -1.100 1.00 5.94 N ATOM 0 H LYS A 109 11.985 -9.516 -7.844 1.00 1.43 H new ATOM 0 HA LYS A 109 11.600 -11.939 -6.316 1.00 1.44 H new ATOM 0 HB2 LYS A 109 13.459 -10.309 -5.993 1.00 1.40 H new ATOM 0 HB3 LYS A 109 12.304 -9.023 -5.710 1.00 1.40 H new ATOM 0 HG2 LYS A 109 11.519 -10.165 -3.652 1.00 2.61 H new ATOM 0 HG3 LYS A 109 12.644 -11.477 -3.940 1.00 2.61 H new ATOM 0 HD2 LYS A 109 14.568 -9.944 -3.710 1.00 2.97 H new ATOM 0 HD3 LYS A 109 13.497 -8.563 -3.575 1.00 2.97 H new ATOM 0 HE2 LYS A 109 12.511 -9.497 -1.489 1.00 5.12 H new ATOM 0 HE3 LYS A 109 13.510 -10.930 -1.636 1.00 5.12 H new ATOM 0 HZ1 LYS A 109 14.455 -9.359 -0.082 1.00 5.94 H new ATOM 0 HZ2 LYS A 109 15.484 -9.542 -1.420 1.00 5.94 H new ATOM 0 HZ3 LYS A 109 14.516 -8.154 -1.277 1.00 5.94 H new ATOM 1714 N VAL A 110 9.522 -11.626 -5.099 1.00 1.44 N ATOM 1715 CA VAL A 110 8.285 -11.611 -4.307 1.00 1.29 C ATOM 1716 C VAL A 110 8.608 -11.784 -2.817 1.00 1.18 C ATOM 1717 O VAL A 110 9.511 -12.550 -2.471 1.00 1.25 O ATOM 1718 CB VAL A 110 7.275 -12.660 -4.831 1.00 1.34 C ATOM 1719 CG1 VAL A 110 7.807 -14.103 -4.762 1.00 1.98 C ATOM 1720 CG2 VAL A 110 5.920 -12.558 -4.113 1.00 2.29 C ATOM 0 H VAL A 110 9.980 -12.537 -5.081 1.00 1.44 H new ATOM 0 HA VAL A 110 7.801 -10.641 -4.420 1.00 1.29 H new ATOM 0 HB VAL A 110 7.131 -12.421 -5.885 1.00 1.34 H new ATOM 0 HG11 VAL A 110 7.050 -14.788 -5.144 1.00 1.98 H new ATOM 0 HG12 VAL A 110 8.711 -14.187 -5.366 1.00 1.98 H new ATOM 0 HG13 VAL A 110 8.037 -14.357 -3.727 1.00 1.98 H new ATOM 0 HG21 VAL A 110 5.240 -13.312 -4.510 1.00 2.29 H new ATOM 0 HG22 VAL A 110 6.061 -12.723 -3.045 1.00 2.29 H new ATOM 0 HG23 VAL A 110 5.497 -11.566 -4.274 1.00 2.29 H new ATOM 1730 N LEU A 111 7.901 -11.058 -1.941 1.00 1.02 N ATOM 1731 CA LEU A 111 8.034 -11.155 -0.480 1.00 0.96 C ATOM 1732 C LEU A 111 6.680 -10.932 0.210 1.00 0.78 C ATOM 1733 O LEU A 111 6.036 -9.918 -0.025 1.00 0.87 O ATOM 1734 CB LEU A 111 9.068 -10.107 -0.025 1.00 1.07 C ATOM 1735 CG LEU A 111 9.321 -10.029 1.494 1.00 1.16 C ATOM 1736 CD1 LEU A 111 9.907 -11.337 2.045 1.00 2.10 C ATOM 1737 CD2 LEU A 111 10.288 -8.870 1.772 1.00 1.76 C ATOM 0 H LEU A 111 7.205 -10.372 -2.234 1.00 1.02 H new ATOM 0 HA LEU A 111 8.371 -12.153 -0.201 1.00 0.96 H new ATOM 0 HB2 LEU A 111 10.015 -10.319 -0.521 1.00 1.07 H new ATOM 0 HB3 LEU A 111 8.740 -9.127 -0.370 1.00 1.07 H new ATOM 0 HG LEU A 111 8.367 -9.863 1.995 1.00 1.16 H new ATOM 0 HD11 LEU A 111 10.070 -11.239 3.118 1.00 2.10 H new ATOM 0 HD12 LEU A 111 9.212 -12.155 1.857 1.00 2.10 H new ATOM 0 HD13 LEU A 111 10.856 -11.547 1.552 1.00 2.10 H new ATOM 0 HD21 LEU A 111 10.477 -8.802 2.843 1.00 1.76 H new ATOM 0 HD22 LEU A 111 11.228 -9.047 1.249 1.00 1.76 H new ATOM 0 HD23 LEU A 111 9.847 -7.937 1.422 1.00 1.76 H new ATOM 1749 N LYS A 112 6.254 -11.856 1.075 1.00 0.90 N ATOM 1750 CA LYS A 112 4.980 -11.750 1.803 1.00 0.86 C ATOM 1751 C LYS A 112 5.096 -10.933 3.109 1.00 0.85 C ATOM 1752 O LYS A 112 6.037 -11.129 3.875 1.00 1.06 O ATOM 1753 CB LYS A 112 4.442 -13.167 2.064 1.00 1.11 C ATOM 1754 CG LYS A 112 3.088 -13.134 2.795 1.00 1.71 C ATOM 1755 CD LYS A 112 2.341 -14.470 2.756 1.00 1.94 C ATOM 1756 CE LYS A 112 1.697 -14.686 1.379 1.00 1.81 C ATOM 1757 NZ LYS A 112 0.761 -15.831 1.369 1.00 1.98 N ATOM 0 H LYS A 112 6.781 -12.701 1.293 1.00 0.90 H new ATOM 0 HA LYS A 112 4.275 -11.196 1.183 1.00 0.86 H new ATOM 0 HB2 LYS A 112 4.332 -13.695 1.117 1.00 1.11 H new ATOM 0 HB3 LYS A 112 5.164 -13.727 2.659 1.00 1.11 H new ATOM 0 HG2 LYS A 112 3.252 -12.848 3.834 1.00 1.71 H new ATOM 0 HG3 LYS A 112 2.461 -12.363 2.347 1.00 1.71 H new ATOM 0 HD2 LYS A 112 3.031 -15.286 2.973 1.00 1.94 H new ATOM 0 HD3 LYS A 112 1.573 -14.487 3.530 1.00 1.94 H new ATOM 0 HE2 LYS A 112 1.164 -13.782 1.084 1.00 1.81 H new ATOM 0 HE3 LYS A 112 2.478 -14.852 0.637 1.00 1.81 H new ATOM 0 HZ1 LYS A 112 1.227 -16.656 0.941 1.00 1.98 H new ATOM 0 HZ2 LYS A 112 0.481 -16.059 2.344 1.00 1.98 H new ATOM 0 HZ3 LYS A 112 -0.084 -15.584 0.815 1.00 1.98 H new ATOM 1771 N VAL A 113 4.094 -10.095 3.397 1.00 0.81 N ATOM 1772 CA VAL A 113 3.805 -9.443 4.693 1.00 0.90 C ATOM 1773 C VAL A 113 2.351 -9.702 5.124 1.00 0.80 C ATOM 1774 O VAL A 113 1.515 -10.034 4.287 1.00 0.78 O ATOM 1775 CB VAL A 113 4.043 -7.913 4.646 1.00 1.10 C ATOM 1776 CG1 VAL A 113 5.508 -7.581 4.331 1.00 2.22 C ATOM 1777 CG2 VAL A 113 3.103 -7.180 3.677 1.00 2.32 C ATOM 0 H VAL A 113 3.412 -9.832 2.686 1.00 0.81 H new ATOM 0 HA VAL A 113 4.493 -9.880 5.416 1.00 0.90 H new ATOM 0 HB VAL A 113 3.808 -7.548 5.646 1.00 1.10 H new ATOM 0 HG11 VAL A 113 5.639 -6.499 4.306 1.00 2.22 H new ATOM 0 HG12 VAL A 113 6.151 -8.006 5.101 1.00 2.22 H new ATOM 0 HG13 VAL A 113 5.776 -8.001 3.362 1.00 2.22 H new ATOM 0 HG21 VAL A 113 3.324 -6.113 3.693 1.00 2.32 H new ATOM 0 HG22 VAL A 113 3.248 -7.565 2.668 1.00 2.32 H new ATOM 0 HG23 VAL A 113 2.069 -7.341 3.981 1.00 2.32 H new ATOM 1787 N VAL A 114 2.042 -9.507 6.410 1.00 0.90 N ATOM 1788 CA VAL A 114 0.678 -9.589 6.965 1.00 0.89 C ATOM 1789 C VAL A 114 0.329 -8.249 7.618 1.00 0.96 C ATOM 1790 O VAL A 114 1.164 -7.681 8.320 1.00 1.15 O ATOM 1791 CB VAL A 114 0.565 -10.742 7.990 1.00 1.07 C ATOM 1792 CG1 VAL A 114 -0.846 -10.820 8.592 1.00 1.63 C ATOM 1793 CG2 VAL A 114 0.900 -12.096 7.340 1.00 1.39 C ATOM 0 H VAL A 114 2.746 -9.283 7.113 1.00 0.90 H new ATOM 0 HA VAL A 114 -0.026 -9.798 6.160 1.00 0.89 H new ATOM 0 HB VAL A 114 1.283 -10.530 8.782 1.00 1.07 H new ATOM 0 HG11 VAL A 114 -0.891 -11.641 9.308 1.00 1.63 H new ATOM 0 HG12 VAL A 114 -1.078 -9.883 9.099 1.00 1.63 H new ATOM 0 HG13 VAL A 114 -1.572 -10.992 7.797 1.00 1.63 H new ATOM 0 HG21 VAL A 114 0.812 -12.888 8.084 1.00 1.39 H new ATOM 0 HG22 VAL A 114 0.206 -12.288 6.522 1.00 1.39 H new ATOM 0 HG23 VAL A 114 1.919 -12.072 6.954 1.00 1.39 H new ATOM 1803 N LEU A 115 -0.882 -7.733 7.380 1.00 0.93 N ATOM 1804 CA LEU A 115 -1.302 -6.368 7.741 1.00 1.12 C ATOM 1805 C LEU A 115 -2.669 -6.383 8.470 1.00 1.14 C ATOM 1806 O LEU A 115 -3.601 -7.014 7.959 1.00 1.17 O ATOM 1807 CB LEU A 115 -1.480 -5.565 6.444 1.00 1.20 C ATOM 1808 CG LEU A 115 -0.292 -5.578 5.470 1.00 1.22 C ATOM 1809 CD1 LEU A 115 -0.734 -4.850 4.200 1.00 2.09 C ATOM 1810 CD2 LEU A 115 0.962 -4.924 6.068 1.00 1.93 C ATOM 0 H LEU A 115 -1.620 -8.265 6.918 1.00 0.93 H new ATOM 0 HA LEU A 115 -0.548 -5.931 8.396 1.00 1.12 H new ATOM 0 HB2 LEU A 115 -2.356 -5.949 5.921 1.00 1.20 H new ATOM 0 HB3 LEU A 115 -1.695 -4.530 6.709 1.00 1.20 H new ATOM 0 HG LEU A 115 -0.014 -6.609 5.252 1.00 1.22 H new ATOM 0 HD11 LEU A 115 0.087 -4.839 3.483 1.00 2.09 H new ATOM 0 HD12 LEU A 115 -1.590 -5.365 3.764 1.00 2.09 H new ATOM 0 HD13 LEU A 115 -1.014 -3.826 4.446 1.00 2.09 H new ATOM 0 HD21 LEU A 115 1.773 -4.959 5.340 1.00 1.93 H new ATOM 0 HD22 LEU A 115 0.746 -3.886 6.321 1.00 1.93 H new ATOM 0 HD23 LEU A 115 1.259 -5.462 6.968 1.00 1.93 H new ATOM 1822 N PRO A 116 -2.831 -5.684 9.607 1.00 1.23 N ATOM 1823 CA PRO A 116 -4.113 -5.512 10.290 1.00 1.36 C ATOM 1824 C PRO A 116 -5.215 -4.883 9.435 1.00 1.11 C ATOM 1825 O PRO A 116 -4.955 -3.923 8.707 1.00 1.17 O ATOM 1826 CB PRO A 116 -3.801 -4.563 11.446 1.00 1.82 C ATOM 1827 CG PRO A 116 -2.347 -4.857 11.782 1.00 1.28 C ATOM 1828 CD PRO A 116 -1.752 -5.124 10.405 1.00 1.29 C ATOM 0 HA PRO A 116 -4.498 -6.490 10.578 1.00 1.36 H new ATOM 0 HB2 PRO A 116 -3.941 -3.522 11.156 1.00 1.82 H new ATOM 0 HB3 PRO A 116 -4.453 -4.747 12.300 1.00 1.82 H new ATOM 0 HG2 PRO A 116 -1.865 -4.015 12.279 1.00 1.28 H new ATOM 0 HG3 PRO A 116 -2.247 -5.717 12.444 1.00 1.28 H new ATOM 0 HD2 PRO A 116 -1.372 -4.205 9.959 1.00 1.29 H new ATOM 0 HD3 PRO A 116 -0.913 -5.817 10.469 1.00 1.29 H new ATOM 1836 N VAL A 117 -6.451 -5.364 9.600 1.00 0.99 N ATOM 1837 CA VAL A 117 -7.656 -4.824 8.944 1.00 0.75 C ATOM 1838 C VAL A 117 -8.626 -4.209 9.962 1.00 0.70 C ATOM 1839 O VAL A 117 -8.996 -4.847 10.949 1.00 0.76 O ATOM 1840 CB VAL A 117 -8.397 -5.903 8.127 1.00 0.86 C ATOM 1841 CG1 VAL A 117 -9.437 -5.242 7.205 1.00 0.90 C ATOM 1842 CG2 VAL A 117 -7.435 -6.728 7.259 1.00 1.19 C ATOM 0 H VAL A 117 -6.651 -6.159 10.207 1.00 0.99 H new ATOM 0 HA VAL A 117 -7.310 -4.044 8.265 1.00 0.75 H new ATOM 0 HB VAL A 117 -8.882 -6.569 8.841 1.00 0.86 H new ATOM 0 HG11 VAL A 117 -9.956 -6.010 6.632 1.00 0.90 H new ATOM 0 HG12 VAL A 117 -10.158 -4.690 7.807 1.00 0.90 H new ATOM 0 HG13 VAL A 117 -8.935 -4.557 6.522 1.00 0.90 H new ATOM 0 HG21 VAL A 117 -7.999 -7.476 6.701 1.00 1.19 H new ATOM 0 HG22 VAL A 117 -6.918 -6.069 6.562 1.00 1.19 H new ATOM 0 HG23 VAL A 117 -6.705 -7.226 7.897 1.00 1.19 H new ATOM 1852 N GLU A 118 -9.061 -2.966 9.714 1.00 0.96 N ATOM 1853 CA GLU A 118 -9.977 -2.201 10.545 1.00 1.25 C ATOM 1854 C GLU A 118 -10.705 -1.107 9.749 1.00 1.24 C ATOM 1855 O GLU A 118 -10.273 -0.741 8.656 1.00 1.22 O ATOM 1856 CB GLU A 118 -9.184 -1.582 11.695 1.00 1.66 C ATOM 1857 CG GLU A 118 -9.979 -1.683 12.974 1.00 2.85 C ATOM 1858 CD GLU A 118 -9.244 -0.930 14.073 1.00 3.04 C ATOM 1859 OE1 GLU A 118 -8.361 -1.512 14.728 1.00 3.62 O ATOM 1860 OE2 GLU A 118 -9.394 0.303 14.135 1.00 3.50 O ATOM 0 H GLU A 118 -8.764 -2.449 8.886 1.00 0.96 H new ATOM 0 HA GLU A 118 -10.745 -2.873 10.928 1.00 1.25 H new ATOM 0 HB2 GLU A 118 -8.229 -2.095 11.808 1.00 1.66 H new ATOM 0 HB3 GLU A 118 -8.961 -0.538 11.475 1.00 1.66 H new ATOM 0 HG2 GLU A 118 -10.976 -1.265 12.832 1.00 2.85 H new ATOM 0 HG3 GLU A 118 -10.109 -2.728 13.255 1.00 2.85 H new ATOM 1867 N ALA A 119 -11.795 -0.567 10.298 1.00 1.56 N ATOM 1868 CA ALA A 119 -12.557 0.531 9.706 1.00 1.54 C ATOM 1869 C ALA A 119 -12.113 1.876 10.304 1.00 1.88 C ATOM 1870 O ALA A 119 -12.458 2.191 11.439 1.00 2.75 O ATOM 1871 CB ALA A 119 -14.051 0.255 9.929 1.00 2.07 C ATOM 0 H ALA A 119 -12.180 -0.889 11.186 1.00 1.56 H new ATOM 0 HA ALA A 119 -12.371 0.595 8.634 1.00 1.54 H new ATOM 0 HB1 ALA A 119 -14.639 1.063 9.494 1.00 2.07 H new ATOM 0 HB2 ALA A 119 -14.322 -0.687 9.453 1.00 2.07 H new ATOM 0 HB3 ALA A 119 -14.254 0.193 10.998 1.00 2.07 H new ATOM 1877 N ARG A 120 -11.345 2.645 9.527 1.00 1.85 N ATOM 1878 CA ARG A 120 -10.827 3.980 9.869 1.00 2.48 C ATOM 1879 C ARG A 120 -10.976 4.872 8.643 1.00 2.73 C ATOM 1880 O ARG A 120 -12.050 5.491 8.512 1.00 3.66 O ATOM 1881 CB ARG A 120 -9.359 3.877 10.340 1.00 3.32 C ATOM 1882 CG ARG A 120 -9.165 2.976 11.572 1.00 4.75 C ATOM 1883 CD ARG A 120 -7.687 2.883 11.975 1.00 6.02 C ATOM 1884 NE ARG A 120 -7.512 1.916 13.066 1.00 7.35 N ATOM 1885 CZ ARG A 120 -6.409 1.406 13.560 1.00 8.61 C ATOM 1886 NH1 ARG A 120 -5.223 1.738 13.133 1.00 9.04 N ATOM 1887 NH2 ARG A 120 -6.468 0.509 14.489 1.00 9.92 N ATOM 1888 OXT ARG A 120 -10.161 4.720 7.712 1.00 3.11 O ATOM 0 H ARG A 120 -11.052 2.343 8.598 1.00 1.85 H new ATOM 0 HA ARG A 120 -11.390 4.417 10.693 1.00 2.48 H new ATOM 0 HB2 ARG A 120 -8.750 3.493 9.521 1.00 3.32 H new ATOM 0 HB3 ARG A 120 -8.990 4.876 10.570 1.00 3.32 H new ATOM 0 HG2 ARG A 120 -9.746 3.369 12.406 1.00 4.75 H new ATOM 0 HG3 ARG A 120 -9.548 1.978 11.358 1.00 4.75 H new ATOM 0 HD2 ARG A 120 -7.088 2.583 11.115 1.00 6.02 H new ATOM 0 HD3 ARG A 120 -7.327 3.863 12.288 1.00 6.02 H new ATOM 0 HE ARG A 120 -8.375 1.593 13.504 1.00 7.35 H new ATOM 0 HH11 ARG A 120 -5.124 2.422 12.383 1.00 9.04 H new ATOM 0 HH12 ARG A 120 -4.394 1.314 13.549 1.00 9.04 H new ATOM 0 HH21 ARG A 120 -7.374 0.196 14.839 1.00 9.92 H new ATOM 0 HH22 ARG A 120 -5.609 0.114 14.872 1.00 9.92 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -5.445 4.885 -4.058 1.00 0.64 CU