USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 TYR OH : rot -130:sc= 0.836 USER MOD Set 1.2: A 132 SER OG : rot 130:sc= 1.02 USER MOD Set 2.1: A 68 SER OG : rot 28:sc= 0.479 USER MOD Set 2.2: A 71 CYS SG : rot -49:sc= 1.16 USER MOD Set 3.1: A 58 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.42) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 16 ASN : amide:sc= 0.198 X(o=-0.77,f=-1.2) USER MOD Set 4.2: A 60 GLN : amide:sc= -0.966 K(o=-0.77,f=-1.5) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 150:sc= -0.0501 USER MOD Single : A 13 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 15 SER OG : rot 130:sc= -0.209 USER MOD Single : A 18 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 0.822 (180deg=-0.262) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 0.206 (180deg=0.0174) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0285 (180deg=-0.293) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 176:sc= -3.98 (180deg=-4.08) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 0.498 (180deg=0.497) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.108) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0448 (180deg=-0.297) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000764) USER MOD Single : A 53 ASN : amide:sc= -4.7! C(o=-4.7!,f=-9.6!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0183) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0162 (180deg=-0.163) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.231 USER MOD Single : A 72 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -1.2 (180deg=-1.76) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= -0.032 (180deg=-0.212) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00614 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.0061) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= 0.296 (180deg=-0.524) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -148:sc= 0.124 (180deg=0) USER MOD Single : A 109 MET CE :methyl -131:sc= 0 (180deg=-1.16) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 125 MET CE :methyl 161:sc= -5.4! (180deg=-6.25!) USER MOD Single : A 126 SER OG : rot 95:sc= 0.727 USER MOD Single : A 130 LYS NZ :NH3+ -179:sc= 1.62 (180deg=1.62) USER MOD Single : A 133 SER OG : rot 180:sc= 0.00583 USER MOD Single : A 134 SER OG : rot -148:sc= 0.545 USER MOD Single : A 136 LYS NZ :NH3+ 162:sc= -0.0744 (180deg=-0.39) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 MET CE :methyl 147:sc= -3.43 (180deg=-10.8!) USER MOD Single : A 142 LYS NZ :NH3+ -175:sc= 1.21 (180deg=1.15) USER MOD Single : A 144 MET CE :methyl 172:sc= -0.122 (180deg=-0.263) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= -0.776 K(o=-0.78,f=-0.0035) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 16:sc= -1.51 USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -12.714 -8.023 -7.413 1.00 0.53 N ATOM 34 CA LYS A 5 -12.463 -8.378 -6.028 1.00 0.46 C ATOM 35 C LYS A 5 -11.116 -7.829 -5.595 1.00 0.34 C ATOM 36 O LYS A 5 -10.100 -8.056 -6.252 1.00 0.39 O ATOM 37 CB LYS A 5 -12.484 -9.889 -5.808 1.00 0.54 C ATOM 38 CG LYS A 5 -12.314 -10.271 -4.341 1.00 0.60 C ATOM 39 CD LYS A 5 -12.087 -11.762 -4.155 1.00 0.89 C ATOM 40 CE LYS A 5 -13.317 -12.576 -4.520 1.00 1.36 C ATOM 41 NZ LYS A 5 -13.095 -14.033 -4.322 1.00 1.61 N ATOM 0 HA LYS A 5 -13.262 -7.941 -5.430 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.426 -10.293 -6.178 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -11.688 -10.349 -6.394 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -11.471 -9.722 -3.920 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.201 -9.969 -3.784 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -11.246 -12.080 -4.771 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -11.816 -11.961 -3.118 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -14.161 -12.251 -3.912 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -13.582 -12.387 -5.560 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -13.957 -14.554 -4.582 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -12.306 -14.349 -4.921 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -12.867 -14.217 -3.324 1.00 1.61 H new ATOM 55 N GLY A 6 -11.117 -7.088 -4.505 1.00 0.26 N ATOM 56 CA GLY A 6 -9.875 -6.573 -3.974 1.00 0.20 C ATOM 57 C GLY A 6 -10.056 -5.263 -3.249 1.00 0.17 C ATOM 58 O GLY A 6 -11.180 -4.894 -2.904 1.00 0.24 O ATOM 0 H GLY A 6 -11.952 -6.833 -3.977 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.444 -7.306 -3.292 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.163 -6.438 -4.789 1.00 0.20 H new ATOM 62 N ALA A 7 -8.961 -4.551 -3.044 1.00 0.15 N ATOM 63 CA ALA A 7 -8.988 -3.301 -2.299 1.00 0.14 C ATOM 64 C ALA A 7 -8.445 -2.153 -3.136 1.00 0.14 C ATOM 65 O ALA A 7 -7.624 -2.361 -4.020 1.00 0.18 O ATOM 66 CB ALA A 7 -8.189 -3.439 -1.016 1.00 0.16 C ATOM 0 H ALA A 7 -8.037 -4.818 -3.384 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.025 -3.077 -2.050 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.216 -2.498 -0.467 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.620 -4.230 -0.402 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.156 -3.689 -1.256 1.00 0.16 H new ATOM 72 N TYR A 8 -8.911 -0.948 -2.854 1.00 0.12 N ATOM 73 CA TYR A 8 -8.457 0.243 -3.561 1.00 0.13 C ATOM 74 C TYR A 8 -8.031 1.321 -2.572 1.00 0.12 C ATOM 75 O TYR A 8 -8.741 1.596 -1.607 1.00 0.13 O ATOM 76 CB TYR A 8 -9.564 0.781 -4.480 1.00 0.16 C ATOM 77 CG TYR A 8 -9.557 0.192 -5.880 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.555 0.503 -6.790 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.564 -0.657 -6.296 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.564 -0.021 -8.072 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.580 -1.188 -7.572 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.579 -0.865 -8.456 1.00 0.45 C ATOM 83 OH TYR A 8 -9.593 -1.391 -9.726 1.00 0.57 O ATOM 0 H TYR A 8 -9.610 -0.766 -2.134 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.598 -0.032 -4.173 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.531 0.581 -4.019 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.464 1.864 -4.554 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.755 1.165 -6.493 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.357 -0.912 -5.608 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.777 0.232 -8.767 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.376 -1.854 -7.873 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.027 -2.269 -9.712 1.00 0.57 H new ATOM 93 N LEU A 9 -6.862 1.905 -2.808 1.00 0.12 N ATOM 94 CA LEU A 9 -6.370 3.017 -2.001 1.00 0.12 C ATOM 95 C LEU A 9 -6.913 4.304 -2.586 1.00 0.11 C ATOM 96 O LEU A 9 -6.647 4.622 -3.735 1.00 0.13 O ATOM 97 CB LEU A 9 -4.834 3.036 -1.996 1.00 0.12 C ATOM 98 CG LEU A 9 -4.141 3.962 -0.976 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.337 5.429 -1.302 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.609 3.671 0.438 1.00 0.12 C ATOM 0 H LEU A 9 -6.231 1.624 -3.559 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.705 2.907 -0.970 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.485 2.019 -1.820 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.497 3.320 -2.993 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.074 3.751 -1.042 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.830 6.039 -0.554 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.921 5.642 -2.287 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.402 5.663 -1.300 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.102 4.340 1.134 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.686 3.826 0.504 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.375 2.637 0.693 1.00 0.12 H new ATOM 112 N VAL A 10 -7.665 5.036 -1.801 1.00 0.12 N ATOM 113 CA VAL A 10 -8.326 6.228 -2.292 1.00 0.14 C ATOM 114 C VAL A 10 -7.901 7.451 -1.497 1.00 0.16 C ATOM 115 O VAL A 10 -7.708 7.377 -0.284 1.00 0.14 O ATOM 116 CB VAL A 10 -9.863 6.098 -2.224 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.491 6.654 -3.494 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.298 4.655 -1.993 1.00 0.16 C ATOM 0 H VAL A 10 -7.837 4.830 -0.817 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.028 6.345 -3.334 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.212 6.681 -1.371 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.575 6.558 -3.436 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.225 7.706 -3.601 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.123 6.097 -4.356 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.386 4.605 -1.951 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -9.937 4.031 -2.811 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.882 4.296 -1.052 1.00 0.16 H new ATOM 128 N PHE A 11 -7.731 8.564 -2.191 1.00 0.23 N ATOM 129 CA PHE A 11 -7.433 9.833 -1.548 1.00 0.27 C ATOM 130 C PHE A 11 -8.706 10.648 -1.398 1.00 0.33 C ATOM 131 O PHE A 11 -9.456 10.829 -2.359 1.00 0.42 O ATOM 132 CB PHE A 11 -6.399 10.610 -2.368 1.00 0.35 C ATOM 133 CG PHE A 11 -6.164 12.024 -1.904 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.561 12.290 -0.684 1.00 0.66 C ATOM 135 CD2 PHE A 11 -6.535 13.092 -2.708 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.337 13.591 -0.276 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.315 14.394 -2.302 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.716 14.644 -1.085 1.00 0.90 C ATOM 0 H PHE A 11 -7.795 8.614 -3.208 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.019 9.641 -0.558 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.452 10.070 -2.340 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -6.722 10.632 -3.409 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.263 11.471 -0.046 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.002 12.903 -3.663 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.865 13.784 0.676 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -6.612 15.216 -2.937 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.544 15.661 -0.765 1.00 0.90 H new ATOM 148 N ASP A 12 -8.957 11.122 -0.194 1.00 0.32 N ATOM 149 CA ASP A 12 -10.116 11.955 0.071 1.00 0.39 C ATOM 150 C ASP A 12 -9.650 13.294 0.616 1.00 0.41 C ATOM 151 O ASP A 12 -8.589 13.377 1.231 1.00 0.36 O ATOM 152 CB ASP A 12 -11.049 11.270 1.077 1.00 0.42 C ATOM 153 CG ASP A 12 -12.425 11.910 1.136 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.374 11.339 0.564 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.568 12.984 1.751 1.00 0.61 O ATOM 0 H ASP A 12 -8.371 10.944 0.622 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.669 12.110 -0.855 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.154 10.218 0.810 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.595 11.304 2.067 1.00 0.42 H new ATOM 160 N ASN A 13 -10.430 14.338 0.389 1.00 0.52 N ATOM 161 CA ASN A 13 -10.036 15.679 0.802 1.00 0.56 C ATOM 162 C ASN A 13 -10.438 15.947 2.247 1.00 0.57 C ATOM 163 O ASN A 13 -10.260 17.057 2.752 1.00 0.65 O ATOM 164 CB ASN A 13 -10.642 16.744 -0.121 1.00 0.71 C ATOM 165 CG ASN A 13 -10.107 16.676 -1.543 1.00 1.50 C ATOM 166 OD1 ASN A 13 -9.777 15.605 -2.054 1.00 2.37 O ATOM 167 ND2 ASN A 13 -10.021 17.824 -2.198 1.00 2.16 N ATOM 0 H ASN A 13 -11.336 14.286 -0.077 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.950 15.737 0.728 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -11.725 16.625 -0.141 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -10.437 17.732 0.291 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -9.673 17.839 -3.157 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -10.303 18.693 -1.744 1.00 2.16 H new ATOM 174 N ALA A 14 -10.997 14.932 2.903 1.00 0.55 N ATOM 175 CA ALA A 14 -11.300 15.008 4.327 1.00 0.59 C ATOM 176 C ALA A 14 -10.035 15.292 5.116 1.00 0.66 C ATOM 177 O ALA A 14 -8.991 14.692 4.851 1.00 1.31 O ATOM 178 CB ALA A 14 -11.928 13.711 4.812 1.00 0.60 C ATOM 0 H ALA A 14 -11.249 14.045 2.467 1.00 0.55 H new ATOM 0 HA ALA A 14 -12.010 15.820 4.483 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -12.146 13.788 5.877 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.852 13.527 4.264 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.236 12.886 4.643 1.00 0.60 H new ATOM 184 N SER A 15 -10.123 16.221 6.065 1.00 0.60 N ATOM 185 CA SER A 15 -8.970 16.626 6.863 1.00 0.54 C ATOM 186 C SER A 15 -7.847 17.121 5.957 1.00 0.52 C ATOM 187 O SER A 15 -6.665 17.045 6.306 1.00 0.53 O ATOM 188 CB SER A 15 -8.485 15.459 7.726 1.00 0.53 C ATOM 189 OG SER A 15 -9.541 14.948 8.524 1.00 1.23 O ATOM 0 H SER A 15 -10.987 16.710 6.301 1.00 0.60 H new ATOM 0 HA SER A 15 -9.270 17.442 7.521 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.091 14.668 7.088 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.667 15.790 8.366 1.00 0.53 H new ATOM 0 HG SER A 15 -9.587 13.974 8.422 1.00 1.23 H new ATOM 195 N ASN A 16 -8.242 17.615 4.782 1.00 0.53 N ATOM 196 CA ASN A 16 -7.311 18.114 3.778 1.00 0.57 C ATOM 197 C ASN A 16 -6.407 16.998 3.258 1.00 0.52 C ATOM 198 O ASN A 16 -5.283 17.241 2.833 1.00 0.68 O ATOM 199 CB ASN A 16 -6.478 19.259 4.339 1.00 0.66 C ATOM 200 CG ASN A 16 -7.316 20.469 4.703 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.829 20.573 5.818 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.455 21.396 3.769 1.00 1.30 N ATOM 0 H ASN A 16 -9.221 17.679 4.503 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.896 18.490 2.939 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.942 18.914 5.223 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.727 19.550 3.605 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -8.003 22.235 3.960 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -7.014 21.272 2.858 1.00 1.30 H new ATOM 209 N GLY A 17 -6.902 15.773 3.300 1.00 0.39 N ATOM 210 CA GLY A 17 -6.136 14.648 2.805 1.00 0.34 C ATOM 211 C GLY A 17 -6.266 13.431 3.690 1.00 0.28 C ATOM 212 O GLY A 17 -5.745 13.411 4.798 1.00 0.29 O ATOM 0 H GLY A 17 -7.823 15.536 3.669 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.470 14.399 1.798 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -5.086 14.931 2.732 1.00 0.34 H new ATOM 216 N THR A 18 -6.976 12.427 3.208 1.00 0.27 N ATOM 217 CA THR A 18 -7.130 11.172 3.928 1.00 0.24 C ATOM 218 C THR A 18 -6.950 9.994 2.974 1.00 0.18 C ATOM 219 O THR A 18 -7.237 10.110 1.781 1.00 0.19 O ATOM 220 CB THR A 18 -8.522 11.075 4.600 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.705 12.157 5.522 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.687 9.755 5.341 1.00 0.33 C ATOM 0 H THR A 18 -7.461 12.456 2.311 1.00 0.27 H new ATOM 0 HA THR A 18 -6.366 11.140 4.705 1.00 0.24 H new ATOM 0 HB THR A 18 -9.273 11.131 3.812 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.974 12.962 5.032 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.674 9.717 5.802 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.583 8.928 4.639 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.923 9.673 6.114 1.00 0.33 H new ATOM 230 N LEU A 19 -6.467 8.873 3.497 1.00 0.15 N ATOM 231 CA LEU A 19 -6.367 7.654 2.714 1.00 0.13 C ATOM 232 C LEU A 19 -7.468 6.693 3.093 1.00 0.14 C ATOM 233 O LEU A 19 -7.915 6.653 4.240 1.00 0.21 O ATOM 234 CB LEU A 19 -5.030 6.955 2.906 1.00 0.14 C ATOM 235 CG LEU A 19 -3.815 7.699 2.381 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.646 6.739 2.291 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.126 8.331 1.029 1.00 0.58 C ATOM 0 H LEU A 19 -6.140 8.786 4.459 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.459 7.947 1.668 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.887 6.770 3.971 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.076 5.982 2.417 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.550 8.506 3.064 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.770 7.267 1.915 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.429 6.336 3.280 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.897 5.923 1.613 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.246 8.861 0.664 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.401 7.552 0.318 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.953 9.032 1.137 1.00 0.58 H new ATOM 249 N PHE A 20 -7.867 5.904 2.128 1.00 0.13 N ATOM 250 CA PHE A 20 -8.993 5.018 2.274 1.00 0.14 C ATOM 251 C PHE A 20 -8.723 3.724 1.516 1.00 0.13 C ATOM 252 O PHE A 20 -8.332 3.751 0.359 1.00 0.12 O ATOM 253 CB PHE A 20 -10.243 5.778 1.760 1.00 0.15 C ATOM 254 CG PHE A 20 -11.466 4.968 1.415 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.685 3.724 1.954 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.405 5.483 0.536 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.809 2.998 1.628 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.535 4.764 0.204 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.737 3.517 0.752 1.00 0.19 C ATOM 0 H PHE A 20 -7.417 5.858 1.214 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.164 4.732 3.312 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.527 6.507 2.519 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -9.952 6.339 0.872 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -10.965 3.309 2.644 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.250 6.461 0.105 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -12.963 2.020 2.060 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.258 5.178 -0.483 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.619 2.948 0.496 1.00 0.19 H new ATOM 269 N ILE A 21 -8.883 2.599 2.192 1.00 0.15 N ATOM 270 CA ILE A 21 -8.774 1.302 1.544 1.00 0.16 C ATOM 271 C ILE A 21 -10.141 0.636 1.500 1.00 0.18 C ATOM 272 O ILE A 21 -10.713 0.265 2.523 1.00 0.23 O ATOM 273 CB ILE A 21 -7.728 0.377 2.222 1.00 0.20 C ATOM 274 CG1 ILE A 21 -7.763 -1.018 1.595 1.00 0.24 C ATOM 275 CG2 ILE A 21 -7.940 0.292 3.722 1.00 0.24 C ATOM 276 CD1 ILE A 21 -6.762 -1.979 2.194 1.00 0.28 C ATOM 0 H ILE A 21 -9.089 2.557 3.190 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.417 1.471 0.528 1.00 0.16 H new ATOM 0 HB ILE A 21 -6.744 0.815 2.055 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -8.765 -1.433 1.709 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.574 -0.931 0.525 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.188 -0.365 4.159 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -7.851 1.287 4.159 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -8.933 -0.107 3.927 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -6.846 -2.947 1.699 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -5.754 -1.587 2.057 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -6.963 -2.097 3.259 1.00 0.28 H new ATOM 288 N VAL A 22 -10.673 0.532 0.303 1.00 0.16 N ATOM 289 CA VAL A 22 -12.019 0.032 0.107 1.00 0.18 C ATOM 290 C VAL A 22 -12.028 -1.478 -0.101 1.00 0.18 C ATOM 291 O VAL A 22 -11.317 -2.007 -0.958 1.00 0.22 O ATOM 292 CB VAL A 22 -12.684 0.733 -1.097 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.874 0.519 -2.346 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.119 0.261 -1.284 1.00 0.24 C ATOM 0 H VAL A 22 -10.190 0.789 -0.558 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.588 0.253 1.010 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.715 1.803 -0.892 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.358 1.020 -3.184 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.874 0.930 -2.206 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.802 -0.548 -2.554 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.562 0.772 -2.139 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.128 -0.815 -1.459 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.696 0.487 -0.388 1.00 0.24 H new ATOM 304 N TRP A 23 -12.821 -2.170 0.696 1.00 0.19 N ATOM 305 CA TRP A 23 -13.016 -3.594 0.510 1.00 0.21 C ATOM 306 C TRP A 23 -14.344 -3.852 -0.177 1.00 0.24 C ATOM 307 O TRP A 23 -15.417 -3.644 0.395 1.00 0.27 O ATOM 308 CB TRP A 23 -12.919 -4.346 1.838 1.00 0.23 C ATOM 309 CG TRP A 23 -11.501 -4.574 2.252 1.00 0.23 C ATOM 310 CD1 TRP A 23 -10.884 -4.119 3.379 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.511 -5.298 1.511 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.570 -4.525 3.389 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.318 -5.244 2.250 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.520 -5.984 0.294 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.144 -5.853 1.810 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.353 -6.586 -0.140 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.179 -6.513 0.616 1.00 0.27 C ATOM 0 H TRP A 23 -13.340 -1.769 1.477 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.219 -3.972 -0.130 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.436 -3.780 2.613 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.429 -5.305 1.749 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.357 -3.528 4.149 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -8.893 -4.324 4.125 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.422 -6.043 -0.297 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.237 -5.804 2.394 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.348 -7.121 -1.078 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.282 -6.988 0.248 1.00 0.27 H new ATOM 328 N LYS A 24 -14.259 -4.290 -1.422 1.00 0.25 N ATOM 329 CA LYS A 24 -15.425 -4.453 -2.267 1.00 0.28 C ATOM 330 C LYS A 24 -15.215 -5.609 -3.236 1.00 0.33 C ATOM 331 O LYS A 24 -14.122 -6.175 -3.330 1.00 0.39 O ATOM 332 CB LYS A 24 -15.694 -3.180 -3.071 1.00 0.29 C ATOM 333 CG LYS A 24 -14.783 -3.044 -4.261 1.00 0.35 C ATOM 334 CD LYS A 24 -13.401 -2.592 -3.845 1.00 0.61 C ATOM 335 CE LYS A 24 -12.393 -2.788 -4.956 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.279 -4.208 -5.371 1.00 1.36 N ATOM 0 H LYS A 24 -13.379 -4.542 -1.873 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.279 -4.660 -1.622 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.730 -3.181 -3.409 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.571 -2.312 -2.423 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -14.715 -4.000 -4.781 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.206 -2.328 -4.966 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.432 -1.540 -3.562 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.085 -3.150 -2.964 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.681 -2.183 -5.816 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.418 -2.429 -4.626 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.417 -4.336 -5.939 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.230 -4.814 -4.527 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.110 -4.472 -5.939 1.00 1.36 H new ATOM 350 N LYS A 25 -16.265 -5.919 -3.972 1.00 0.36 N ATOM 351 CA LYS A 25 -16.249 -6.991 -4.951 1.00 0.42 C ATOM 352 C LYS A 25 -16.512 -6.398 -6.325 1.00 0.45 C ATOM 353 O LYS A 25 -16.862 -7.094 -7.277 1.00 0.56 O ATOM 354 CB LYS A 25 -17.302 -8.056 -4.622 1.00 0.49 C ATOM 355 CG LYS A 25 -17.058 -8.812 -3.328 1.00 0.67 C ATOM 356 CD LYS A 25 -17.464 -7.998 -2.114 1.00 0.70 C ATOM 357 CE LYS A 25 -17.649 -8.890 -0.906 1.00 0.94 C ATOM 358 NZ LYS A 25 -18.315 -8.183 0.222 1.00 1.94 N ATOM 0 H LYS A 25 -17.159 -5.432 -3.908 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.274 -7.477 -4.934 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.279 -7.576 -4.568 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.343 -8.772 -5.443 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -17.618 -9.747 -3.342 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.003 -9.074 -3.254 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.703 -7.246 -1.904 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.391 -7.464 -2.322 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -18.242 -9.760 -1.187 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -16.677 -9.259 -0.578 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -18.851 -8.868 0.793 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -17.596 -7.723 0.817 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -18.964 -7.463 -0.154 1.00 1.94 H new ATOM 372 N GLU A 26 -16.331 -5.090 -6.397 1.00 0.40 N ATOM 373 CA GLU A 26 -16.549 -4.330 -7.622 1.00 0.45 C ATOM 374 C GLU A 26 -15.335 -3.449 -7.905 1.00 0.41 C ATOM 375 O GLU A 26 -14.381 -3.434 -7.132 1.00 0.42 O ATOM 376 CB GLU A 26 -17.816 -3.479 -7.499 1.00 0.49 C ATOM 377 CG GLU A 26 -17.811 -2.528 -6.313 1.00 1.23 C ATOM 378 CD GLU A 26 -19.080 -1.708 -6.227 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.057 -0.522 -6.616 1.00 1.45 O ATOM 380 OE2 GLU A 26 -20.110 -2.243 -5.770 1.00 1.19 O ATOM 0 H GLU A 26 -16.028 -4.521 -5.607 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.682 -5.022 -8.454 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -17.943 -2.901 -8.414 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.679 -4.140 -7.417 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.688 -3.099 -5.393 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -16.954 -1.859 -6.390 1.00 1.23 H new ATOM 387 N LYS A 27 -15.357 -2.727 -9.008 1.00 0.48 N ATOM 388 CA LYS A 27 -14.215 -1.915 -9.389 1.00 0.49 C ATOM 389 C LYS A 27 -14.402 -0.468 -8.928 1.00 0.47 C ATOM 390 O LYS A 27 -15.360 0.205 -9.309 1.00 0.68 O ATOM 391 CB LYS A 27 -13.996 -2.008 -10.906 1.00 0.64 C ATOM 392 CG LYS A 27 -12.669 -1.427 -11.391 1.00 1.53 C ATOM 393 CD LYS A 27 -12.715 0.087 -11.546 1.00 1.71 C ATOM 394 CE LYS A 27 -13.608 0.510 -12.703 1.00 1.60 C ATOM 395 NZ LYS A 27 -13.100 0.017 -14.010 1.00 2.35 N ATOM 0 H LYS A 27 -16.146 -2.685 -9.653 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.321 -2.295 -8.894 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -14.051 -3.055 -11.205 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.811 -1.489 -11.411 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -11.881 -1.693 -10.686 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -12.407 -1.879 -12.348 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -13.080 0.536 -10.622 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -11.706 0.467 -11.708 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -14.617 0.130 -12.540 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -13.677 1.598 -12.728 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -13.588 0.514 -14.782 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -12.078 0.196 -14.075 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -13.278 -1.005 -14.089 1.00 2.35 H new ATOM 409 N VAL A 28 -13.480 -0.010 -8.092 1.00 0.43 N ATOM 410 CA VAL A 28 -13.499 1.348 -7.564 1.00 0.42 C ATOM 411 C VAL A 28 -12.578 2.243 -8.385 1.00 0.40 C ATOM 412 O VAL A 28 -11.437 1.879 -8.661 1.00 0.51 O ATOM 413 CB VAL A 28 -13.042 1.375 -6.087 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.929 2.800 -5.565 1.00 1.16 C ATOM 415 CG2 VAL A 28 -13.976 0.551 -5.210 1.00 1.07 C ATOM 0 H VAL A 28 -12.696 -0.571 -7.760 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.523 1.715 -7.625 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.050 0.926 -6.044 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.606 2.782 -4.524 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.201 3.349 -6.162 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.900 3.291 -5.635 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.631 0.587 -4.177 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -14.985 0.958 -5.270 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -13.981 -0.483 -5.555 1.00 1.07 H new ATOM 425 N GLU A 29 -13.075 3.403 -8.781 1.00 0.37 N ATOM 426 CA GLU A 29 -12.284 4.337 -9.566 1.00 0.37 C ATOM 427 C GLU A 29 -11.737 5.460 -8.692 1.00 0.32 C ATOM 428 O GLU A 29 -12.115 5.589 -7.526 1.00 0.33 O ATOM 429 CB GLU A 29 -13.124 4.914 -10.699 1.00 0.45 C ATOM 430 CG GLU A 29 -13.587 3.868 -11.695 1.00 0.74 C ATOM 431 CD GLU A 29 -14.315 4.469 -12.874 1.00 1.33 C ATOM 432 OE1 GLU A 29 -13.654 4.787 -13.886 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.552 4.618 -12.799 1.00 1.98 O ATOM 0 H GLU A 29 -14.022 3.721 -8.572 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.439 3.794 -9.990 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.995 5.415 -10.277 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.543 5.673 -11.223 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -12.724 3.306 -12.054 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -14.243 3.158 -11.192 1.00 0.74 H new ATOM 440 N ASN A 30 -10.851 6.267 -9.275 1.00 0.33 N ATOM 441 CA ASN A 30 -10.211 7.386 -8.578 1.00 0.34 C ATOM 442 C ASN A 30 -9.352 6.887 -7.423 1.00 0.27 C ATOM 443 O ASN A 30 -9.249 7.533 -6.381 1.00 0.31 O ATOM 444 CB ASN A 30 -11.240 8.406 -8.067 1.00 0.40 C ATOM 445 CG ASN A 30 -11.960 9.126 -9.189 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.467 10.121 -9.721 1.00 1.67 O ATOM 447 ND2 ASN A 30 -13.141 8.642 -9.545 1.00 2.06 N ATOM 0 H ASN A 30 -10.555 6.164 -10.246 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.571 7.889 -9.303 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.971 7.895 -7.441 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.736 9.138 -7.436 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -13.676 9.096 -10.285 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -13.515 7.815 -9.079 1.00 2.06 H new ATOM 454 N ALA A 31 -8.740 5.734 -7.617 1.00 0.21 N ATOM 455 CA ALA A 31 -7.879 5.150 -6.612 1.00 0.18 C ATOM 456 C ALA A 31 -6.408 5.287 -7.000 1.00 0.17 C ATOM 457 O ALA A 31 -6.067 5.440 -8.174 1.00 0.20 O ATOM 458 CB ALA A 31 -8.242 3.694 -6.401 1.00 0.17 C ATOM 0 H ALA A 31 -8.826 5.181 -8.470 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.027 5.690 -5.677 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.589 3.262 -5.643 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.278 3.622 -6.071 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.120 3.149 -7.337 1.00 0.17 H new ATOM 464 N LEU A 32 -5.556 5.251 -5.986 1.00 0.17 N ATOM 465 CA LEU A 32 -4.115 5.422 -6.141 1.00 0.18 C ATOM 466 C LEU A 32 -3.423 4.070 -6.175 1.00 0.17 C ATOM 467 O LEU A 32 -2.399 3.898 -6.823 1.00 0.19 O ATOM 468 CB LEU A 32 -3.548 6.224 -4.962 1.00 0.22 C ATOM 469 CG LEU A 32 -3.821 7.733 -4.937 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.197 8.066 -5.473 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.663 8.272 -3.525 1.00 0.28 C ATOM 0 H LEU A 32 -5.847 5.101 -5.020 1.00 0.17 H new ATOM 0 HA LEU A 32 -3.937 5.953 -7.076 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.944 5.795 -4.042 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.468 6.077 -4.943 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.089 8.210 -5.589 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.350 9.145 -5.438 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.279 7.721 -6.504 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -5.954 7.572 -4.864 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -3.859 9.344 -3.521 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.369 7.771 -2.863 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.647 8.088 -3.177 1.00 0.28 H new ATOM 483 N MET A 33 -3.977 3.117 -5.438 1.00 0.15 N ATOM 484 CA MET A 33 -3.382 1.786 -5.330 1.00 0.14 C ATOM 485 C MET A 33 -4.463 0.717 -5.242 1.00 0.12 C ATOM 486 O MET A 33 -5.641 1.034 -5.082 1.00 0.12 O ATOM 487 CB MET A 33 -2.467 1.690 -4.114 1.00 0.14 C ATOM 488 CG MET A 33 -1.242 2.578 -4.175 1.00 0.17 C ATOM 489 SD MET A 33 -0.280 2.495 -2.661 1.00 0.17 S ATOM 490 CE MET A 33 0.068 0.740 -2.603 1.00 0.20 C ATOM 0 H MET A 33 -4.838 3.238 -4.905 1.00 0.15 H new ATOM 0 HA MET A 33 -2.788 1.619 -6.228 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.041 1.945 -3.223 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.144 0.655 -3.999 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.619 2.280 -5.018 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.549 3.608 -4.354 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.721 0.526 -1.757 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.865 0.188 -2.490 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.560 0.436 -3.527 1.00 0.20 H new ATOM 500 N PHE A 34 -4.058 -0.544 -5.343 1.00 0.12 N ATOM 501 CA PHE A 34 -5.002 -1.649 -5.408 1.00 0.12 C ATOM 502 C PHE A 34 -4.415 -2.909 -4.765 1.00 0.11 C ATOM 503 O PHE A 34 -3.200 -3.083 -4.712 1.00 0.12 O ATOM 504 CB PHE A 34 -5.379 -1.911 -6.875 1.00 0.13 C ATOM 505 CG PHE A 34 -6.272 -3.103 -7.094 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.743 -4.304 -7.524 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.635 -3.018 -6.880 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.555 -5.400 -7.735 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.454 -4.110 -7.086 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.913 -5.304 -7.514 1.00 0.23 C ATOM 0 H PHE A 34 -3.078 -0.825 -5.382 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.899 -1.383 -4.849 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.875 -1.025 -7.272 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.464 -2.049 -7.451 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.680 -4.387 -7.697 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.065 -2.085 -6.547 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.127 -6.332 -8.073 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.517 -4.029 -6.912 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.550 -6.161 -7.676 1.00 0.23 H new ATOM 520 N ILE A 35 -5.292 -3.765 -4.268 1.00 0.11 N ATOM 521 CA ILE A 35 -4.910 -5.050 -3.697 1.00 0.12 C ATOM 522 C ILE A 35 -5.735 -6.141 -4.346 1.00 0.12 C ATOM 523 O ILE A 35 -6.949 -5.998 -4.485 1.00 0.16 O ATOM 524 CB ILE A 35 -5.158 -5.125 -2.174 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.346 -4.077 -1.422 1.00 0.13 C ATOM 526 CG2 ILE A 35 -4.824 -6.514 -1.652 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.602 -4.079 0.072 1.00 0.14 C ATOM 0 H ILE A 35 -6.296 -3.589 -4.248 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.843 -5.174 -3.879 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.215 -4.920 -2.001 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.285 -4.251 -1.602 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.579 -3.090 -1.822 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.004 -6.552 -0.578 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.453 -7.251 -2.151 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.776 -6.736 -1.853 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -3.993 -3.310 0.547 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.656 -3.875 0.261 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.342 -5.054 0.484 1.00 0.14 H new ATOM 539 N LYS A 36 -5.096 -7.222 -4.736 1.00 0.13 N ATOM 540 CA LYS A 36 -5.809 -8.321 -5.349 1.00 0.15 C ATOM 541 C LYS A 36 -5.582 -9.593 -4.540 1.00 0.16 C ATOM 542 O LYS A 36 -4.484 -10.139 -4.539 1.00 0.22 O ATOM 543 CB LYS A 36 -5.295 -8.496 -6.777 1.00 0.25 C ATOM 544 CG LYS A 36 -6.356 -8.931 -7.780 1.00 0.64 C ATOM 545 CD LYS A 36 -6.838 -10.346 -7.526 1.00 0.70 C ATOM 546 CE LYS A 36 -5.717 -11.355 -7.713 1.00 1.57 C ATOM 547 NZ LYS A 36 -6.208 -12.754 -7.600 1.00 2.38 N ATOM 0 H LYS A 36 -4.090 -7.363 -4.641 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.879 -8.114 -5.371 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -4.861 -7.554 -7.112 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.492 -9.233 -6.773 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -7.203 -8.246 -7.731 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.949 -8.863 -8.789 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.232 -10.421 -6.513 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.658 -10.580 -8.205 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -5.256 -11.209 -8.690 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.943 -11.180 -6.966 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -5.411 -13.412 -7.716 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -6.640 -12.896 -6.665 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -6.917 -12.934 -8.340 1.00 2.38 H new ATOM 561 N PRO A 37 -6.614 -10.099 -3.855 1.00 0.17 N ATOM 562 CA PRO A 37 -6.497 -11.295 -3.024 1.00 0.21 C ATOM 563 C PRO A 37 -6.478 -12.579 -3.848 1.00 0.27 C ATOM 564 O PRO A 37 -7.285 -12.759 -4.763 1.00 0.35 O ATOM 565 CB PRO A 37 -7.750 -11.248 -2.128 1.00 0.24 C ATOM 566 CG PRO A 37 -8.397 -9.931 -2.406 1.00 0.23 C ATOM 567 CD PRO A 37 -7.965 -9.539 -3.788 1.00 0.18 C ATOM 0 HA PRO A 37 -5.562 -11.303 -2.464 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.426 -12.072 -2.357 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.482 -11.338 -1.075 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.482 -10.009 -2.344 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.089 -9.184 -1.675 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.618 -9.957 -4.554 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.966 -8.458 -3.924 1.00 0.18 H new ATOM 575 N THR A 38 -5.525 -13.448 -3.546 1.00 0.31 N ATOM 576 CA THR A 38 -5.490 -14.775 -4.131 1.00 0.38 C ATOM 577 C THR A 38 -6.205 -15.745 -3.216 1.00 0.44 C ATOM 578 O THR A 38 -6.837 -16.704 -3.659 1.00 0.54 O ATOM 579 CB THR A 38 -4.050 -15.238 -4.358 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.249 -14.928 -3.209 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.477 -14.562 -5.579 1.00 0.78 C ATOM 0 H THR A 38 -4.763 -13.254 -2.896 1.00 0.31 H new ATOM 0 HA THR A 38 -5.991 -14.742 -5.099 1.00 0.38 H new ATOM 0 HB THR A 38 -4.046 -16.317 -4.514 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.329 -15.229 -3.361 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.451 -14.898 -5.733 1.00 0.78 H new ATOM 0 HG22 THR A 38 -4.077 -14.818 -6.452 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.488 -13.482 -5.435 1.00 0.78 H new ATOM 589 N LYS A 39 -6.084 -15.472 -1.931 1.00 0.48 N ATOM 590 CA LYS A 39 -6.858 -16.161 -0.917 1.00 0.63 C ATOM 591 C LYS A 39 -8.188 -15.442 -0.743 1.00 0.58 C ATOM 592 O LYS A 39 -8.403 -14.377 -1.327 1.00 0.54 O ATOM 593 CB LYS A 39 -6.096 -16.193 0.409 1.00 0.78 C ATOM 594 CG LYS A 39 -4.790 -16.974 0.355 1.00 0.93 C ATOM 595 CD LYS A 39 -5.031 -18.445 0.055 1.00 1.09 C ATOM 596 CE LYS A 39 -3.733 -19.235 0.022 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.069 -19.287 1.352 1.00 2.16 N ATOM 0 H LYS A 39 -5.447 -14.767 -1.561 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.034 -17.190 -1.230 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -5.883 -15.170 0.718 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -6.737 -16.630 1.174 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.141 -16.547 -0.410 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.267 -16.877 1.307 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.694 -18.866 0.811 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -5.540 -18.542 -0.904 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -3.937 -20.250 -0.320 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -3.055 -18.785 -0.703 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -2.285 -19.970 1.322 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -2.699 -18.345 1.592 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -3.758 -19.582 2.073 1.00 2.16 H new ATOM 611 N GLU A 40 -9.085 -16.017 0.036 1.00 0.66 N ATOM 612 CA GLU A 40 -10.385 -15.406 0.254 1.00 0.64 C ATOM 613 C GLU A 40 -10.293 -14.320 1.313 1.00 0.57 C ATOM 614 O GLU A 40 -9.616 -14.476 2.333 1.00 0.62 O ATOM 615 CB GLU A 40 -11.421 -16.460 0.633 1.00 0.76 C ATOM 616 CG GLU A 40 -11.586 -17.534 -0.428 1.00 1.44 C ATOM 617 CD GLU A 40 -12.813 -18.389 -0.210 1.00 1.86 C ATOM 618 OE1 GLU A 40 -13.819 -18.174 -0.914 1.00 2.08 O ATOM 619 OE2 GLU A 40 -12.778 -19.281 0.662 1.00 2.42 O ATOM 0 H GLU A 40 -8.940 -16.900 0.526 1.00 0.66 H new ATOM 0 HA GLU A 40 -10.709 -14.941 -0.677 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.129 -16.927 1.574 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.382 -15.974 0.803 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -11.647 -17.063 -1.409 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -10.701 -18.171 -0.434 1.00 1.44 H new ATOM 626 N VAL A 41 -10.977 -13.221 1.056 1.00 0.53 N ATOM 627 CA VAL A 41 -10.871 -12.031 1.884 1.00 0.49 C ATOM 628 C VAL A 41 -11.755 -12.127 3.124 1.00 0.51 C ATOM 629 O VAL A 41 -12.913 -12.539 3.043 1.00 0.54 O ATOM 630 CB VAL A 41 -11.230 -10.759 1.085 1.00 0.53 C ATOM 631 CG1 VAL A 41 -9.990 -9.914 0.863 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.864 -11.113 -0.253 1.00 0.69 C ATOM 0 H VAL A 41 -11.620 -13.126 0.270 1.00 0.53 H new ATOM 0 HA VAL A 41 -9.832 -11.963 2.206 1.00 0.49 H new ATOM 0 HB VAL A 41 -11.954 -10.188 1.666 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.255 -9.020 0.299 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.570 -9.624 1.826 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.252 -10.490 0.304 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.106 -10.198 -0.794 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.165 -11.708 -0.841 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.775 -11.687 -0.083 1.00 0.69 H new ATOM 642 N PRO A 42 -11.185 -11.759 4.288 1.00 0.55 N ATOM 643 CA PRO A 42 -11.862 -11.802 5.594 1.00 0.62 C ATOM 644 C PRO A 42 -13.263 -11.200 5.571 1.00 0.63 C ATOM 645 O PRO A 42 -13.448 -10.028 5.238 1.00 0.64 O ATOM 646 CB PRO A 42 -10.949 -10.957 6.471 1.00 0.68 C ATOM 647 CG PRO A 42 -9.598 -11.159 5.898 1.00 0.65 C ATOM 648 CD PRO A 42 -9.801 -11.268 4.417 1.00 0.58 C ATOM 0 HA PRO A 42 -12.010 -12.827 5.935 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.237 -9.906 6.448 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -10.991 -11.277 7.512 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -8.940 -10.326 6.143 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.133 -12.061 6.297 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.670 -10.305 3.923 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.088 -11.957 3.965 1.00 0.58 H new ATOM 656 N GLU A 43 -14.232 -12.010 5.973 1.00 0.69 N ATOM 657 CA GLU A 43 -15.634 -11.662 5.897 1.00 0.75 C ATOM 658 C GLU A 43 -16.011 -10.536 6.853 1.00 0.81 C ATOM 659 O GLU A 43 -16.746 -9.619 6.481 1.00 0.83 O ATOM 660 CB GLU A 43 -16.450 -12.903 6.205 1.00 0.85 C ATOM 661 CG GLU A 43 -17.924 -12.635 6.398 1.00 1.21 C ATOM 662 CD GLU A 43 -18.702 -13.888 6.730 1.00 1.68 C ATOM 663 OE1 GLU A 43 -18.475 -14.461 7.817 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.549 -14.302 5.910 1.00 1.87 O ATOM 0 H GLU A 43 -14.060 -12.936 6.364 1.00 0.69 H new ATOM 0 HA GLU A 43 -15.844 -11.297 4.891 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.324 -13.619 5.393 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -16.055 -13.371 7.107 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.056 -11.907 7.198 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.331 -12.189 5.491 1.00 1.21 H new ATOM 671 N PHE A 44 -15.503 -10.592 8.077 1.00 0.86 N ATOM 672 CA PHE A 44 -15.920 -9.643 9.098 1.00 0.97 C ATOM 673 C PHE A 44 -15.369 -8.260 8.811 1.00 0.96 C ATOM 674 O PHE A 44 -15.943 -7.252 9.222 1.00 1.02 O ATOM 675 CB PHE A 44 -15.499 -10.096 10.490 1.00 1.11 C ATOM 676 CG PHE A 44 -16.159 -11.369 10.932 1.00 1.69 C ATOM 677 CD1 PHE A 44 -15.416 -12.531 11.073 1.00 2.33 C ATOM 678 CD2 PHE A 44 -17.516 -11.410 11.201 1.00 1.86 C ATOM 679 CE1 PHE A 44 -16.015 -13.707 11.477 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.120 -12.583 11.605 1.00 2.66 C ATOM 681 CZ PHE A 44 -17.390 -13.718 11.755 1.00 3.34 C ATOM 0 H PHE A 44 -14.811 -11.275 8.384 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.009 -9.599 9.071 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -14.418 -10.232 10.507 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -15.733 -9.308 11.206 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -14.356 -12.516 10.864 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.109 -10.514 11.093 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -15.431 -14.610 11.578 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.182 -12.598 11.803 1.00 2.66 H new ATOM 0 HZ PHE A 44 -17.867 -14.628 12.088 1.00 3.34 H new ATOM 691 N LYS A 45 -14.263 -8.214 8.083 1.00 0.90 N ATOM 692 CA LYS A 45 -13.650 -6.944 7.720 1.00 0.93 C ATOM 693 C LYS A 45 -14.552 -6.150 6.782 1.00 0.89 C ATOM 694 O LYS A 45 -14.464 -4.926 6.713 1.00 0.98 O ATOM 695 CB LYS A 45 -12.275 -7.166 7.090 1.00 0.94 C ATOM 696 CG LYS A 45 -11.169 -7.386 8.112 1.00 1.07 C ATOM 697 CD LYS A 45 -11.415 -8.612 8.968 1.00 1.09 C ATOM 698 CE LYS A 45 -10.330 -8.789 10.012 1.00 1.27 C ATOM 699 NZ LYS A 45 -10.214 -7.614 10.918 1.00 1.94 N ATOM 0 H LYS A 45 -13.773 -9.037 7.733 1.00 0.90 H new ATOM 0 HA LYS A 45 -13.517 -6.362 8.632 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.323 -8.029 6.426 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.023 -6.303 6.473 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.215 -7.491 7.595 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.089 -6.508 8.753 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.384 -8.525 9.460 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.458 -9.497 8.333 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -10.541 -9.680 10.603 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -9.375 -8.956 9.514 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -9.653 -7.874 11.754 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -9.745 -6.833 10.416 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -11.163 -7.312 11.218 1.00 1.94 H new ATOM 713 N PHE A 46 -15.430 -6.849 6.075 1.00 0.79 N ATOM 714 CA PHE A 46 -16.394 -6.194 5.201 1.00 0.78 C ATOM 715 C PHE A 46 -17.543 -5.602 6.012 1.00 0.83 C ATOM 716 O PHE A 46 -17.895 -4.436 5.850 1.00 0.93 O ATOM 717 CB PHE A 46 -16.955 -7.180 4.174 1.00 0.74 C ATOM 718 CG PHE A 46 -15.972 -7.606 3.121 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.384 -8.856 3.166 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.650 -6.757 2.076 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.489 -9.253 2.190 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.755 -7.147 1.098 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.176 -8.397 1.154 1.00 0.54 C ATOM 0 H PHE A 46 -15.495 -7.867 6.089 1.00 0.79 H new ATOM 0 HA PHE A 46 -15.874 -5.392 4.678 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.315 -8.066 4.698 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.818 -6.726 3.686 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.627 -9.531 3.974 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.104 -5.778 2.024 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.035 -10.232 2.238 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.509 -6.473 0.290 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.479 -8.705 0.389 1.00 0.54 H new ATOM 733 N VAL A 47 -18.104 -6.408 6.902 1.00 0.81 N ATOM 734 CA VAL A 47 -19.301 -6.024 7.637 1.00 0.88 C ATOM 735 C VAL A 47 -18.999 -5.015 8.746 1.00 0.87 C ATOM 736 O VAL A 47 -19.721 -4.029 8.905 1.00 0.92 O ATOM 737 CB VAL A 47 -20.023 -7.260 8.220 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.103 -8.064 9.127 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.284 -6.842 8.954 1.00 1.07 C ATOM 0 H VAL A 47 -17.748 -7.335 7.133 1.00 0.81 H new ATOM 0 HA VAL A 47 -19.964 -5.540 6.920 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.308 -7.906 7.390 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -19.642 -8.926 9.520 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.238 -8.405 8.558 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -18.769 -7.437 9.954 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -21.779 -7.725 9.358 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.024 -6.167 9.769 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -21.956 -6.333 8.263 1.00 1.07 H new ATOM 749 N ASN A 48 -17.917 -5.234 9.483 1.00 0.86 N ATOM 750 CA ASN A 48 -17.614 -4.410 10.647 1.00 0.90 C ATOM 751 C ASN A 48 -17.111 -3.031 10.226 1.00 0.82 C ATOM 752 O ASN A 48 -17.387 -2.027 10.882 1.00 0.91 O ATOM 753 CB ASN A 48 -16.579 -5.104 11.536 1.00 0.96 C ATOM 754 CG ASN A 48 -16.357 -4.376 12.847 1.00 1.07 C ATOM 755 OD1 ASN A 48 -15.492 -3.507 12.954 1.00 1.50 O ATOM 756 ND2 ASN A 48 -17.136 -4.729 13.857 1.00 1.66 N ATOM 0 H ASN A 48 -17.237 -5.972 9.297 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.534 -4.277 11.216 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -16.906 -6.123 11.741 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.633 -5.175 10.999 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -17.031 -4.276 14.765 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -17.842 -5.454 13.728 1.00 1.66 H new ATOM 763 N ARG A 49 -16.378 -2.990 9.126 1.00 0.69 N ATOM 764 CA ARG A 49 -15.830 -1.739 8.618 1.00 0.63 C ATOM 765 C ARG A 49 -16.803 -1.040 7.676 1.00 0.58 C ATOM 766 O ARG A 49 -16.573 0.097 7.268 1.00 0.57 O ATOM 767 CB ARG A 49 -14.522 -2.001 7.892 1.00 0.59 C ATOM 768 CG ARG A 49 -13.361 -2.354 8.803 1.00 0.92 C ATOM 769 CD ARG A 49 -12.164 -2.800 7.986 1.00 1.01 C ATOM 770 NE ARG A 49 -10.945 -2.928 8.781 1.00 1.28 N ATOM 771 CZ ARG A 49 -9.870 -3.608 8.385 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.922 -4.351 7.282 1.00 1.66 N ATOM 773 NH2 ARG A 49 -8.756 -3.563 9.100 1.00 2.00 N ATOM 0 H ARG A 49 -16.147 -3.810 8.565 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.655 -1.085 9.472 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.671 -2.814 7.182 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.258 -1.116 7.313 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.092 -1.490 9.411 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.657 -3.148 9.489 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.388 -3.758 7.518 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -11.993 -2.084 7.182 1.00 1.01 H new ATOM 0 HE ARG A 49 -10.915 -2.470 9.692 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.785 -4.400 6.740 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.099 -4.872 6.979 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -8.721 -3.007 9.955 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -7.933 -4.084 8.796 1.00 2.00 H new ATOM 787 N ASN A 50 -17.887 -1.738 7.331 1.00 0.60 N ATOM 788 CA ASN A 50 -18.874 -1.247 6.362 1.00 0.63 C ATOM 789 C ASN A 50 -18.261 -1.159 4.970 1.00 0.54 C ATOM 790 O ASN A 50 -18.804 -0.518 4.073 1.00 0.61 O ATOM 791 CB ASN A 50 -19.438 0.119 6.765 1.00 0.71 C ATOM 792 CG ASN A 50 -20.231 0.071 8.055 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.424 -0.234 8.052 1.00 2.26 O ATOM 794 ND2 ASN A 50 -19.584 0.391 9.163 1.00 2.05 N ATOM 0 H ASN A 50 -18.107 -2.658 7.713 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.696 -1.963 6.351 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -18.617 0.828 6.875 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -20.077 0.493 5.965 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -20.074 0.391 10.058 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -18.595 0.638 9.123 1.00 2.05 H new ATOM 801 N GLY A 51 -17.114 -1.800 4.809 1.00 0.46 N ATOM 802 CA GLY A 51 -16.433 -1.828 3.531 1.00 0.41 C ATOM 803 C GLY A 51 -15.542 -0.621 3.312 1.00 0.33 C ATOM 804 O GLY A 51 -14.709 -0.616 2.404 1.00 0.34 O ATOM 0 H GLY A 51 -16.636 -2.309 5.553 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.831 -2.734 3.465 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.172 -1.878 2.732 1.00 0.41 H new ATOM 808 N LYS A 52 -15.714 0.406 4.138 1.00 0.29 N ATOM 809 CA LYS A 52 -14.894 1.602 4.029 1.00 0.29 C ATOM 810 C LYS A 52 -13.882 1.676 5.164 1.00 0.30 C ATOM 811 O LYS A 52 -14.249 1.661 6.341 1.00 0.36 O ATOM 812 CB LYS A 52 -15.761 2.863 4.017 1.00 0.34 C ATOM 813 CG LYS A 52 -16.721 2.941 2.852 1.00 1.14 C ATOM 814 CD LYS A 52 -17.257 4.347 2.716 1.00 1.28 C ATOM 815 CE LYS A 52 -17.881 4.836 4.010 1.00 1.67 C ATOM 816 NZ LYS A 52 -19.109 4.075 4.366 1.00 2.43 N ATOM 0 H LYS A 52 -16.409 0.432 4.884 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.353 1.544 3.085 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -16.329 2.909 4.946 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.111 3.738 3.997 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.215 2.646 1.933 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.544 2.242 3.001 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -16.449 5.018 2.425 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.000 4.378 1.919 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -17.154 4.748 4.818 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -18.126 5.894 3.916 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -19.510 4.455 5.247 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -19.808 4.166 3.601 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -18.869 3.072 4.499 1.00 2.43 H new ATOM 830 N ASN A 53 -12.611 1.770 4.809 1.00 0.30 N ATOM 831 CA ASN A 53 -11.554 1.863 5.787 1.00 0.34 C ATOM 832 C ASN A 53 -10.792 3.166 5.610 1.00 0.27 C ATOM 833 O ASN A 53 -10.160 3.377 4.577 1.00 0.24 O ATOM 834 CB ASN A 53 -10.561 0.729 5.575 1.00 0.43 C ATOM 835 CG ASN A 53 -11.139 -0.672 5.618 1.00 1.14 C ATOM 836 OD1 ASN A 53 -12.333 -0.897 5.433 1.00 1.72 O ATOM 837 ND2 ASN A 53 -10.263 -1.643 5.824 1.00 2.05 N ATOM 0 H ASN A 53 -12.290 1.783 3.841 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.002 1.812 6.779 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -10.076 0.872 4.609 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -9.784 0.805 6.336 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.572 -2.615 5.833 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -9.279 -1.419 5.974 1.00 2.05 H new ATOM 844 N GLU A 54 -10.820 4.029 6.608 1.00 0.30 N ATOM 845 CA GLU A 54 -9.993 5.222 6.581 1.00 0.28 C ATOM 846 C GLU A 54 -8.661 4.948 7.262 1.00 0.28 C ATOM 847 O GLU A 54 -8.600 4.668 8.458 1.00 0.40 O ATOM 848 CB GLU A 54 -10.726 6.407 7.204 1.00 0.33 C ATOM 849 CG GLU A 54 -11.801 6.964 6.284 1.00 0.35 C ATOM 850 CD GLU A 54 -12.659 8.021 6.945 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.752 7.684 7.447 1.00 1.15 O ATOM 852 OE2 GLU A 54 -12.232 9.193 6.988 1.00 1.47 O ATOM 0 H GLU A 54 -11.401 3.929 7.441 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.787 5.489 5.545 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.180 6.097 8.145 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -10.009 7.193 7.440 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.328 7.390 5.399 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.438 6.148 5.944 1.00 0.35 H new ATOM 859 N LEU A 55 -7.600 5.012 6.476 1.00 0.21 N ATOM 860 CA LEU A 55 -6.275 4.601 6.916 1.00 0.22 C ATOM 861 C LEU A 55 -5.561 5.695 7.700 1.00 0.24 C ATOM 862 O LEU A 55 -5.096 5.470 8.817 1.00 0.32 O ATOM 863 CB LEU A 55 -5.437 4.208 5.700 1.00 0.21 C ATOM 864 CG LEU A 55 -5.741 2.833 5.105 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.039 2.678 3.771 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.319 1.724 6.061 1.00 0.54 C ATOM 0 H LEU A 55 -7.631 5.350 5.514 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.397 3.749 7.585 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.581 4.960 4.924 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.384 4.238 5.982 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.817 2.754 4.949 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.261 1.695 3.355 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.387 3.450 3.085 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -3.963 2.777 3.913 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.545 0.755 5.616 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.248 1.795 6.251 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.862 1.828 7.001 1.00 0.54 H new ATOM 878 N ILE A 56 -5.471 6.875 7.112 1.00 0.21 N ATOM 879 CA ILE A 56 -4.702 7.959 7.704 1.00 0.22 C ATOM 880 C ILE A 56 -5.211 9.299 7.179 1.00 0.22 C ATOM 881 O ILE A 56 -5.671 9.379 6.042 1.00 0.22 O ATOM 882 CB ILE A 56 -3.200 7.786 7.380 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.346 8.777 8.170 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.958 7.960 5.888 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.865 8.473 8.103 1.00 0.25 C ATOM 0 H ILE A 56 -5.920 7.108 6.226 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.825 7.935 8.787 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.908 6.778 7.673 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.522 9.783 7.788 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.665 8.771 9.212 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.896 7.836 5.675 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.529 7.212 5.337 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.275 8.957 5.582 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.315 9.213 8.684 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.679 7.480 8.511 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.533 8.507 7.065 1.00 0.25 H new ATOM 897 N ARG A 57 -5.147 10.344 7.998 1.00 0.26 N ATOM 898 CA ARG A 57 -5.710 11.631 7.609 1.00 0.27 C ATOM 899 C ARG A 57 -4.743 12.790 7.860 1.00 0.29 C ATOM 900 O ARG A 57 -3.699 12.619 8.491 1.00 0.34 O ATOM 901 CB ARG A 57 -7.030 11.874 8.349 1.00 0.37 C ATOM 902 CG ARG A 57 -6.888 11.956 9.862 1.00 0.49 C ATOM 903 CD ARG A 57 -7.127 13.368 10.373 1.00 0.88 C ATOM 904 NE ARG A 57 -7.082 13.433 11.833 1.00 1.34 N ATOM 905 CZ ARG A 57 -7.221 14.556 12.539 1.00 1.83 C ATOM 906 NH1 ARG A 57 -7.401 15.721 11.926 1.00 1.96 N ATOM 907 NH2 ARG A 57 -7.173 14.512 13.863 1.00 2.23 N ATOM 0 H ARG A 57 -4.717 10.326 8.923 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.894 11.592 6.535 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.472 12.801 7.986 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.725 11.071 8.103 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.597 11.274 10.332 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.890 11.628 10.152 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.374 14.037 9.956 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -8.097 13.722 10.023 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.935 12.563 12.345 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -7.434 15.762 10.907 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -7.506 16.575 12.474 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -7.030 13.621 14.339 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -7.279 15.369 14.406 1.00 2.23 H new ATOM 921 N ASN A 58 -5.132 13.966 7.353 1.00 0.30 N ATOM 922 CA ASN A 58 -4.369 15.207 7.483 1.00 0.33 C ATOM 923 C ASN A 58 -3.060 15.135 6.682 1.00 0.31 C ATOM 924 O ASN A 58 -1.989 15.521 7.155 1.00 0.33 O ATOM 925 CB ASN A 58 -4.108 15.519 8.964 1.00 0.39 C ATOM 926 CG ASN A 58 -3.437 16.865 9.195 1.00 0.46 C ATOM 927 OD1 ASN A 58 -2.622 17.015 10.105 1.00 1.01 O ATOM 928 ND2 ASN A 58 -3.791 17.862 8.395 1.00 1.40 N ATOM 0 H ASN A 58 -6.002 14.081 6.832 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.959 16.023 7.066 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -5.055 15.497 9.503 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.482 14.733 9.387 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -3.385 18.789 8.524 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -4.470 17.702 7.651 1.00 1.40 H new ATOM 935 N LEU A 59 -3.164 14.658 5.444 1.00 0.28 N ATOM 936 CA LEU A 59 -1.994 14.463 4.590 1.00 0.27 C ATOM 937 C LEU A 59 -1.450 15.786 4.050 1.00 0.33 C ATOM 938 O LEU A 59 -0.276 15.882 3.703 1.00 0.33 O ATOM 939 CB LEU A 59 -2.344 13.549 3.421 1.00 0.24 C ATOM 940 CG LEU A 59 -2.979 12.215 3.804 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.223 11.377 2.565 1.00 0.19 C ATOM 942 CD2 LEU A 59 -2.104 11.461 4.789 1.00 0.20 C ATOM 0 H LEU A 59 -4.049 14.399 5.008 1.00 0.28 H new ATOM 0 HA LEU A 59 -1.220 14.005 5.205 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -3.026 14.080 2.757 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.436 13.350 2.852 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.935 12.417 4.287 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.676 10.428 2.851 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.893 11.911 1.891 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.275 11.189 2.060 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.578 10.514 5.046 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -1.131 11.268 4.338 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.974 12.058 5.691 1.00 0.20 H new ATOM 954 N GLN A 60 -2.310 16.793 3.961 1.00 0.40 N ATOM 955 CA GLN A 60 -1.911 18.107 3.453 1.00 0.49 C ATOM 956 C GLN A 60 -0.760 18.679 4.258 1.00 0.51 C ATOM 957 O GLN A 60 0.237 19.151 3.714 1.00 0.53 O ATOM 958 CB GLN A 60 -3.071 19.073 3.559 1.00 0.62 C ATOM 959 CG GLN A 60 -2.868 20.370 2.790 1.00 0.81 C ATOM 960 CD GLN A 60 -4.039 21.320 2.934 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.982 21.295 2.138 1.00 1.76 O ATOM 962 NE2 GLN A 60 -3.994 22.161 3.953 1.00 1.27 N ATOM 0 H GLN A 60 -3.291 16.728 4.234 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.604 17.978 2.415 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.973 18.583 3.193 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.240 19.308 4.610 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.961 20.860 3.144 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.716 20.143 1.735 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.196 22.150 4.589 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.757 22.821 4.104 1.00 1.27 H new ATOM 971 N SER A 61 -0.905 18.596 5.565 1.00 0.53 N ATOM 972 CA SER A 61 0.006 19.240 6.484 1.00 0.60 C ATOM 973 C SER A 61 1.255 18.395 6.721 1.00 0.48 C ATOM 974 O SER A 61 2.173 18.812 7.428 1.00 0.56 O ATOM 975 CB SER A 61 -0.741 19.514 7.782 1.00 0.79 C ATOM 976 OG SER A 61 -1.787 20.446 7.571 1.00 1.59 O ATOM 0 H SER A 61 -1.659 18.079 6.018 1.00 0.53 H new ATOM 0 HA SER A 61 0.354 20.181 6.057 1.00 0.60 H new ATOM 0 HB2 SER A 61 -1.150 18.583 8.175 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.049 19.900 8.531 1.00 0.79 H new ATOM 0 HG SER A 61 -2.256 20.608 8.416 1.00 1.59 H new ATOM 982 N ASP A 62 1.286 17.216 6.117 1.00 0.41 N ATOM 983 CA ASP A 62 2.466 16.359 6.163 1.00 0.41 C ATOM 984 C ASP A 62 2.375 15.293 5.086 1.00 0.36 C ATOM 985 O ASP A 62 1.642 14.315 5.225 1.00 0.33 O ATOM 986 CB ASP A 62 2.629 15.701 7.531 1.00 0.52 C ATOM 987 CG ASP A 62 3.932 14.932 7.639 1.00 1.18 C ATOM 988 OD1 ASP A 62 3.882 13.693 7.790 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.012 15.551 7.556 1.00 1.41 O ATOM 0 H ASP A 62 0.505 16.828 5.587 1.00 0.41 H new ATOM 0 HA ASP A 62 3.340 16.985 5.985 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.593 16.465 8.308 1.00 0.52 H new ATOM 0 HB3 ASP A 62 1.793 15.025 7.710 1.00 0.52 H new ATOM 994 N LYS A 63 3.123 15.496 4.009 1.00 0.39 N ATOM 995 CA LYS A 63 3.079 14.605 2.857 1.00 0.40 C ATOM 996 C LYS A 63 3.511 13.196 3.231 1.00 0.33 C ATOM 997 O LYS A 63 3.017 12.214 2.680 1.00 0.30 O ATOM 998 CB LYS A 63 3.982 15.133 1.742 1.00 0.52 C ATOM 999 CG LYS A 63 5.460 15.161 2.101 1.00 1.06 C ATOM 1000 CD LYS A 63 6.322 14.532 1.016 1.00 1.18 C ATOM 1001 CE LYS A 63 6.176 15.239 -0.323 1.00 1.00 C ATOM 1002 NZ LYS A 63 6.714 16.624 -0.282 1.00 1.68 N ATOM 0 H LYS A 63 3.772 16.276 3.909 1.00 0.39 H new ATOM 0 HA LYS A 63 2.047 14.571 2.507 1.00 0.40 H new ATOM 0 HB2 LYS A 63 3.846 14.514 0.855 1.00 0.52 H new ATOM 0 HB3 LYS A 63 3.664 16.142 1.478 1.00 0.52 H new ATOM 0 HG2 LYS A 63 5.775 16.192 2.262 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.615 14.630 3.040 1.00 1.06 H new ATOM 0 HD2 LYS A 63 7.367 14.558 1.325 1.00 1.18 H new ATOM 0 HD3 LYS A 63 6.049 13.483 0.902 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.698 14.670 -1.092 1.00 1.00 H new ATOM 0 HE3 LYS A 63 5.124 15.267 -0.606 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 6.673 17.041 -1.234 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 6.145 17.198 0.372 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 7.701 16.603 0.044 1.00 1.68 H new ATOM 1016 N LYS A 64 4.432 13.111 4.176 1.00 0.34 N ATOM 1017 CA LYS A 64 5.005 11.834 4.581 1.00 0.33 C ATOM 1018 C LYS A 64 3.955 10.898 5.178 1.00 0.27 C ATOM 1019 O LYS A 64 4.136 9.680 5.184 1.00 0.27 O ATOM 1020 CB LYS A 64 6.147 12.049 5.571 1.00 0.40 C ATOM 1021 CG LYS A 64 7.407 12.623 4.942 1.00 0.42 C ATOM 1022 CD LYS A 64 7.971 11.698 3.874 1.00 0.38 C ATOM 1023 CE LYS A 64 9.255 12.246 3.272 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.349 12.335 4.273 1.00 1.07 N ATOM 0 H LYS A 64 4.802 13.916 4.681 1.00 0.34 H new ATOM 0 HA LYS A 64 5.397 11.357 3.683 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.809 12.720 6.361 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.390 11.097 6.043 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.184 13.595 4.502 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.158 12.788 5.715 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.163 10.717 4.308 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.231 11.559 3.086 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.570 11.606 2.448 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.066 13.235 2.854 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.248 12.533 3.788 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.142 13.101 4.946 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.424 11.434 4.786 1.00 1.07 H new ATOM 1038 N LEU A 65 2.870 11.466 5.687 1.00 0.25 N ATOM 1039 CA LEU A 65 1.749 10.681 6.170 1.00 0.21 C ATOM 1040 C LEU A 65 1.183 9.790 5.065 1.00 0.17 C ATOM 1041 O LEU A 65 0.826 8.641 5.319 1.00 0.18 O ATOM 1042 CB LEU A 65 0.655 11.594 6.718 1.00 0.24 C ATOM 1043 CG LEU A 65 1.041 12.410 7.949 1.00 0.28 C ATOM 1044 CD1 LEU A 65 -0.151 13.202 8.459 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.587 11.504 9.037 1.00 0.31 C ATOM 0 H LEU A 65 2.745 12.474 5.775 1.00 0.25 H new ATOM 0 HA LEU A 65 2.112 10.040 6.974 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.349 12.281 5.929 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.214 10.984 6.965 1.00 0.24 H new ATOM 0 HG LEU A 65 1.823 13.114 7.665 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.143 13.777 9.337 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.497 13.881 7.680 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.955 12.517 8.727 1.00 0.34 H new ATOM 0 HD21 LEU A 65 1.857 12.102 9.907 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.827 10.776 9.319 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.470 10.982 8.667 1.00 0.31 H new ATOM 1057 N PHE A 66 1.115 10.312 3.838 1.00 0.15 N ATOM 1058 CA PHE A 66 0.641 9.521 2.706 1.00 0.13 C ATOM 1059 C PHE A 66 1.536 8.304 2.501 1.00 0.14 C ATOM 1060 O PHE A 66 1.058 7.226 2.164 1.00 0.15 O ATOM 1061 CB PHE A 66 0.590 10.367 1.423 1.00 0.14 C ATOM 1062 CG PHE A 66 0.218 9.585 0.185 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.830 8.684 0.207 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.922 9.745 -0.996 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.169 7.954 -0.917 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.586 9.022 -2.126 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.460 8.125 -2.084 1.00 0.21 C ATOM 0 H PHE A 66 1.380 11.269 3.607 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.371 9.183 2.929 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.130 11.174 1.561 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.564 10.832 1.268 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.394 8.548 1.118 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.745 10.444 -1.036 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.988 7.251 -0.879 1.00 0.15 H new ATOM 0 HE2 PHE A 66 1.143 9.160 -3.041 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.722 7.558 -2.965 1.00 0.21 H new ATOM 1077 N TYR A 67 2.829 8.476 2.750 1.00 0.16 N ATOM 1078 CA TYR A 67 3.797 7.405 2.543 1.00 0.18 C ATOM 1079 C TYR A 67 3.455 6.219 3.433 1.00 0.16 C ATOM 1080 O TYR A 67 3.255 5.102 2.961 1.00 0.18 O ATOM 1081 CB TYR A 67 5.225 7.866 2.855 1.00 0.22 C ATOM 1082 CG TYR A 67 5.764 8.948 1.947 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.975 10.014 1.556 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.080 8.912 1.507 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.471 11.015 0.751 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.585 9.907 0.698 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.776 10.957 0.322 1.00 0.35 C ATOM 1088 OH TYR A 67 7.274 11.958 -0.478 1.00 0.40 O ATOM 0 H TYR A 67 3.232 9.347 3.096 1.00 0.16 H new ATOM 0 HA TYR A 67 3.748 7.116 1.493 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.257 8.227 3.883 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.889 7.003 2.800 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.949 10.063 1.889 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.718 8.092 1.803 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.839 11.840 0.458 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.610 9.864 0.360 1.00 0.37 H new ATOM 0 HH TYR A 67 8.235 12.060 -0.314 1.00 0.40 H new ATOM 1098 N SER A 68 3.393 6.475 4.731 1.00 0.15 N ATOM 1099 CA SER A 68 3.047 5.451 5.695 1.00 0.18 C ATOM 1100 C SER A 68 1.598 4.998 5.516 1.00 0.17 C ATOM 1101 O SER A 68 1.268 3.850 5.788 1.00 0.20 O ATOM 1102 CB SER A 68 3.282 5.959 7.119 1.00 0.26 C ATOM 1103 OG SER A 68 2.970 4.962 8.078 1.00 1.22 O ATOM 0 H SER A 68 3.580 7.391 5.139 1.00 0.15 H new ATOM 0 HA SER A 68 3.692 4.589 5.523 1.00 0.18 H new ATOM 0 HB2 SER A 68 4.323 6.263 7.232 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.670 6.843 7.298 1.00 0.26 H new ATOM 0 HG SER A 68 3.104 4.075 7.683 1.00 1.22 H new ATOM 1109 N GLY A 69 0.730 5.890 5.057 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.622 5.483 4.742 1.00 0.17 C ATOM 1111 C GLY A 69 -0.634 4.381 3.700 1.00 0.16 C ATOM 1112 O GLY A 69 -1.472 3.481 3.739 1.00 0.17 O ATOM 0 H GLY A 69 0.936 6.876 4.899 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.121 5.137 5.647 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.187 6.340 4.375 1.00 0.17 H new ATOM 1116 N ILE A 70 0.317 4.458 2.775 1.00 0.15 N ATOM 1117 CA ILE A 70 0.516 3.425 1.778 1.00 0.16 C ATOM 1118 C ILE A 70 0.926 2.105 2.431 1.00 0.16 C ATOM 1119 O ILE A 70 0.406 1.051 2.080 1.00 0.17 O ATOM 1120 CB ILE A 70 1.603 3.845 0.771 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.162 5.091 0.004 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.917 2.706 -0.183 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.226 5.649 -0.914 1.00 0.18 C ATOM 0 H ILE A 70 0.968 5.239 2.700 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.431 3.287 1.256 1.00 0.16 H new ATOM 0 HB ILE A 70 2.513 4.085 1.321 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.277 4.850 -0.585 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.870 5.862 0.718 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.687 3.022 -0.887 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.274 1.845 0.383 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.016 2.431 -0.731 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.840 6.532 -1.424 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.104 5.923 -0.329 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.502 4.895 -1.652 1.00 0.18 H new ATOM 1135 N CYS A 71 1.854 2.163 3.389 1.00 0.17 N ATOM 1136 CA CYS A 71 2.337 0.946 4.036 1.00 0.18 C ATOM 1137 C CYS A 71 1.202 0.269 4.784 1.00 0.17 C ATOM 1138 O CYS A 71 1.095 -0.955 4.801 1.00 0.17 O ATOM 1139 CB CYS A 71 3.506 1.232 4.992 1.00 0.21 C ATOM 1140 SG CYS A 71 3.058 1.887 6.617 1.00 1.10 S ATOM 0 H CYS A 71 2.279 3.026 3.728 1.00 0.17 H new ATOM 0 HA CYS A 71 2.706 0.280 3.256 1.00 0.18 H new ATOM 0 HB2 CYS A 71 4.066 0.308 5.136 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.179 1.941 4.509 1.00 0.21 H new ATOM 0 HG CYS A 71 2.232 2.880 6.472 1.00 1.10 H new ATOM 1146 N GLN A 72 0.349 1.082 5.386 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.830 0.583 6.083 1.00 0.19 C ATOM 1148 C GLN A 72 -1.798 -0.066 5.098 1.00 0.17 C ATOM 1149 O GLN A 72 -2.545 -0.983 5.446 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.527 1.716 6.831 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.619 2.463 7.800 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.108 1.603 8.947 1.00 1.02 C ATOM 1153 OE1 GLN A 72 0.082 0.395 8.810 1.00 1.82 O ATOM 1154 NE2 GLN A 72 0.122 2.226 10.091 1.00 1.56 N ATOM 0 H GLN A 72 0.450 2.097 5.407 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.509 -0.168 6.805 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.930 2.424 6.106 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.374 1.308 7.383 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.233 2.863 7.250 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.162 3.314 8.210 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -0.047 3.229 10.168 1.00 1.56 H new ATOM 0 HE22 GLN A 72 0.468 1.703 10.896 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.772 0.420 3.865 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.581 -0.145 2.798 1.00 0.15 C ATOM 1165 C PHE A 73 -2.040 -1.511 2.385 1.00 0.15 C ATOM 1166 O PHE A 73 -2.783 -2.492 2.343 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.612 0.809 1.596 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.306 0.257 0.382 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.581 -0.323 -0.637 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.684 0.310 0.266 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.208 -0.840 -1.752 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.319 -0.206 -0.847 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.600 -0.743 -1.862 1.00 0.15 C ATOM 0 H PHE A 73 -1.194 1.210 3.579 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.599 -0.277 3.163 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.108 1.733 1.894 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.588 1.069 1.327 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.505 -0.374 -0.561 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.269 0.760 1.054 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -2.631 -1.315 -2.532 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.397 -0.181 -0.909 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.099 -1.095 -2.753 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.739 -1.573 2.098 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.109 -2.831 1.701 1.00 0.19 C ATOM 1185 C VAL A 74 -0.178 -3.828 2.850 1.00 0.19 C ATOM 1186 O VAL A 74 -0.198 -5.038 2.638 1.00 0.21 O ATOM 1187 CB VAL A 74 1.369 -2.655 1.266 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.581 -1.312 0.587 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.334 -2.825 2.436 1.00 0.24 C ATOM 0 H VAL A 74 -0.106 -0.774 2.133 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.661 -3.201 0.837 1.00 0.19 H new ATOM 0 HB VAL A 74 1.586 -3.444 0.547 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.626 -1.214 0.292 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.947 -1.247 -0.297 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.323 -0.510 1.278 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.358 -2.693 2.085 1.00 0.24 H new ATOM 0 HG22 VAL A 74 2.114 -2.080 3.201 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.221 -3.823 2.859 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.210 -3.292 4.067 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.343 -4.091 5.275 1.00 0.23 C ATOM 1201 C LYS A 75 -1.511 -5.048 5.162 1.00 0.24 C ATOM 1202 O LYS A 75 -1.382 -6.238 5.445 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.548 -3.183 6.486 1.00 0.25 C ATOM 1204 CG LYS A 75 -0.896 -3.928 7.762 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.145 -2.974 8.916 1.00 0.58 C ATOM 1206 CE LYS A 75 -1.495 -3.724 10.191 1.00 1.08 C ATOM 1207 NZ LYS A 75 -1.869 -2.800 11.292 1.00 1.85 N ATOM 0 H LYS A 75 -0.144 -2.289 4.240 1.00 0.20 H new ATOM 0 HA LYS A 75 0.574 -4.667 5.401 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.360 -2.604 6.651 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.343 -2.472 6.264 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.783 -4.539 7.597 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.084 -4.608 8.020 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.258 -2.364 9.083 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.956 -2.293 8.658 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -2.321 -4.408 9.995 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -0.644 -4.331 10.500 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -2.100 -3.350 12.144 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -1.072 -2.164 11.497 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -2.697 -2.238 11.008 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.635 -4.516 4.719 1.00 0.21 N ATOM 1222 CA GLU A 76 -3.856 -5.285 4.604 1.00 0.24 C ATOM 1223 C GLU A 76 -3.674 -6.408 3.587 1.00 0.24 C ATOM 1224 O GLU A 76 -4.163 -7.516 3.777 1.00 0.29 O ATOM 1225 CB GLU A 76 -4.996 -4.358 4.187 1.00 0.28 C ATOM 1226 CG GLU A 76 -6.371 -4.931 4.453 1.00 1.05 C ATOM 1227 CD GLU A 76 -6.711 -4.991 5.929 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.798 -5.495 6.279 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.880 -4.547 6.748 1.00 1.31 O ATOM 0 H GLU A 76 -2.725 -3.542 4.430 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.098 -5.735 5.567 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -4.897 -3.412 4.719 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -4.903 -4.137 3.124 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -7.117 -4.326 3.938 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.428 -5.934 4.031 1.00 1.05 H new ATOM 1236 N ALA A 77 -2.938 -6.123 2.520 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.644 -7.120 1.501 1.00 0.22 C ATOM 1238 C ALA A 77 -1.857 -8.301 2.078 1.00 0.22 C ATOM 1239 O ALA A 77 -2.042 -9.441 1.656 1.00 0.24 O ATOM 1240 CB ALA A 77 -1.890 -6.485 0.348 1.00 0.24 C ATOM 0 H ALA A 77 -2.533 -5.205 2.338 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.592 -7.510 1.130 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.676 -7.241 -0.407 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.497 -5.694 -0.092 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -0.954 -6.063 0.714 1.00 0.24 H new ATOM 1246 N LYS A 78 -0.994 -8.026 3.055 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.233 -9.083 3.727 1.00 0.30 C ATOM 1248 C LYS A 78 -1.141 -9.816 4.700 1.00 0.31 C ATOM 1249 O LYS A 78 -0.855 -10.930 5.123 1.00 0.37 O ATOM 1250 CB LYS A 78 0.968 -8.532 4.519 1.00 0.42 C ATOM 1251 CG LYS A 78 1.434 -7.134 4.132 1.00 0.84 C ATOM 1252 CD LYS A 78 2.621 -6.665 4.970 1.00 0.72 C ATOM 1253 CE LYS A 78 2.487 -7.042 6.439 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.240 -6.525 7.069 1.00 1.88 N ATOM 0 H LYS A 78 -0.803 -7.085 3.399 1.00 0.24 H new ATOM 0 HA LYS A 78 0.143 -9.749 2.950 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.709 -8.528 5.578 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.805 -9.220 4.398 1.00 0.42 H new ATOM 0 HG2 LYS A 78 1.710 -7.125 3.078 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.608 -6.432 4.251 1.00 0.84 H new ATOM 0 HD2 LYS A 78 3.537 -7.099 4.570 1.00 0.72 H new ATOM 0 HD3 LYS A 78 2.717 -5.583 4.884 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.509 -8.128 6.532 1.00 1.08 H new ATOM 0 HE3 LYS A 78 3.348 -6.658 6.986 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 1.014 -7.094 7.910 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 1.378 -5.533 7.349 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 0.456 -6.587 6.389 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.219 -9.155 5.079 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.125 -9.664 6.090 1.00 0.36 C ATOM 1270 C ASP A 79 -4.177 -10.587 5.496 1.00 0.34 C ATOM 1271 O ASP A 79 -4.514 -11.610 6.087 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.767 -8.497 6.823 1.00 0.41 C ATOM 1273 CG ASP A 79 -2.945 -8.058 8.020 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.489 -8.048 9.145 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -1.742 -7.756 7.849 1.00 1.60 O ATOM 0 H ASP A 79 -2.491 -8.250 4.694 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.553 -10.262 6.799 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -3.885 -7.658 6.137 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.766 -8.782 7.154 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.689 -10.244 4.322 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.684 -11.089 3.668 1.00 0.32 C ATOM 1282 C ILE A 80 -4.990 -12.086 2.757 1.00 0.30 C ATOM 1283 O ILE A 80 -5.597 -13.034 2.252 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.740 -10.267 2.877 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.459 -10.221 1.361 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.817 -8.860 3.443 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.290 -9.357 0.948 1.00 0.22 C ATOM 0 H ILE A 80 -4.438 -9.400 3.807 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.227 -11.622 4.449 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.698 -10.772 2.997 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -6.281 -11.237 1.010 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.354 -9.861 0.853 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.558 -8.284 2.888 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.106 -8.906 4.493 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.843 -8.379 3.355 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.176 -9.392 -0.135 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.469 -8.328 1.261 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.380 -9.726 1.420 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.698 -11.837 2.579 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.810 -12.680 1.788 1.00 0.29 C ATOM 1301 C LYS A 81 -3.122 -12.552 0.307 1.00 0.29 C ATOM 1302 O LYS A 81 -3.480 -13.519 -0.365 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.873 -14.144 2.242 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.529 -14.343 3.711 1.00 0.39 C ATOM 1305 CD LYS A 81 -1.143 -13.814 4.040 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.807 -14.019 5.509 1.00 0.53 C ATOM 1307 NZ LYS A 81 -0.772 -15.459 5.885 1.00 1.47 N ATOM 0 H LYS A 81 -3.230 -11.028 2.988 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.790 -12.332 1.951 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.875 -14.530 2.057 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -2.187 -14.734 1.634 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -3.269 -13.835 4.330 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -2.582 -15.404 3.957 1.00 0.39 H new ATOM 0 HD2 LYS A 81 -0.402 -14.320 3.421 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -1.090 -12.753 3.797 1.00 0.40 H new ATOM 0 HE2 LYS A 81 0.161 -13.566 5.725 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -1.545 -13.503 6.124 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 -0.346 -15.561 6.828 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -1.741 -15.838 5.900 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 -0.205 -15.986 5.190 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.985 -11.337 -0.191 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.215 -11.080 -1.589 1.00 0.26 C ATOM 1323 C GLY A 82 -1.974 -10.606 -2.310 1.00 0.22 C ATOM 1324 O GLY A 82 -0.852 -10.986 -1.967 1.00 0.23 O ATOM 0 H GLY A 82 -2.716 -10.519 0.355 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.581 -11.989 -2.065 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.998 -10.329 -1.691 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.190 -9.809 -3.341 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.120 -9.190 -4.098 1.00 0.17 C ATOM 1330 C LYS A 83 -1.288 -7.679 -4.047 1.00 0.16 C ATOM 1331 O LYS A 83 -2.407 -7.189 -3.890 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.136 -9.667 -5.554 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.424 -10.990 -5.766 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.151 -12.133 -5.088 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.176 -13.126 -4.491 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.576 -13.876 -5.535 1.00 1.06 N ATOM 0 H LYS A 83 -3.123 -9.572 -3.679 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.164 -9.474 -3.659 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.170 -9.763 -5.885 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.669 -8.908 -6.182 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.343 -11.193 -6.834 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.592 -10.923 -5.377 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.800 -11.741 -4.305 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.792 -12.638 -5.810 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.528 -12.599 -3.847 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.718 -13.830 -3.860 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.231 -14.543 -5.079 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 -0.092 -14.401 -6.134 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.116 -13.208 -6.122 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.201 -6.941 -4.183 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.273 -5.492 -4.128 1.00 0.15 C ATOM 1352 C LEU A 84 -0.080 -4.903 -5.521 1.00 0.15 C ATOM 1353 O LEU A 84 0.808 -5.319 -6.259 1.00 0.17 O ATOM 1354 CB LEU A 84 0.779 -4.953 -3.149 1.00 0.16 C ATOM 1355 CG LEU A 84 0.595 -3.499 -2.688 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.142 -2.519 -3.715 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -0.873 -3.204 -2.405 1.00 0.15 C ATOM 0 H LEU A 84 0.735 -7.317 -4.331 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.258 -5.194 -3.769 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.786 -5.594 -2.267 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.760 -5.043 -3.616 1.00 0.16 H new ATOM 0 HG LEU A 84 1.161 -3.372 -1.765 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.996 -1.499 -3.359 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.206 -2.703 -3.863 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.616 -2.651 -4.660 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -0.980 -2.169 -2.080 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.457 -3.362 -3.312 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.233 -3.870 -1.621 1.00 0.15 H new ATOM 1369 N THR A 85 -0.937 -3.959 -5.876 1.00 0.16 N ATOM 1370 CA THR A 85 -0.852 -3.272 -7.154 1.00 0.17 C ATOM 1371 C THR A 85 -0.770 -1.762 -6.941 1.00 0.17 C ATOM 1372 O THR A 85 -1.597 -1.176 -6.244 1.00 0.21 O ATOM 1373 CB THR A 85 -2.074 -3.595 -8.040 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.111 -4.996 -8.332 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.044 -2.802 -9.343 1.00 0.20 C ATOM 0 H THR A 85 -1.710 -3.648 -5.287 1.00 0.16 H new ATOM 0 HA THR A 85 0.050 -3.620 -7.658 1.00 0.17 H new ATOM 0 HB THR A 85 -2.970 -3.310 -7.488 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.890 -5.193 -8.893 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.919 -3.054 -9.942 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.052 -1.735 -9.120 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.140 -3.050 -9.899 1.00 0.20 H new ATOM 1383 N LEU A 86 0.239 -1.142 -7.520 1.00 0.16 N ATOM 1384 CA LEU A 86 0.363 0.304 -7.478 1.00 0.18 C ATOM 1385 C LEU A 86 -0.230 0.922 -8.740 1.00 0.19 C ATOM 1386 O LEU A 86 0.314 0.761 -9.826 1.00 0.21 O ATOM 1387 CB LEU A 86 1.828 0.713 -7.366 1.00 0.22 C ATOM 1388 CG LEU A 86 2.076 2.198 -7.600 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.794 2.995 -6.336 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.489 2.418 -8.120 1.00 1.51 C ATOM 0 H LEU A 86 0.987 -1.617 -8.026 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.180 0.664 -6.604 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.195 0.446 -6.375 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.411 0.140 -8.087 1.00 0.22 H new ATOM 0 HG LEU A 86 1.387 2.561 -8.363 1.00 0.53 H new ATOM 0 HD11 LEU A 86 1.977 4.053 -6.524 1.00 1.45 H new ATOM 0 HD12 LEU A 86 0.754 2.854 -6.041 1.00 1.45 H new ATOM 0 HD13 LEU A 86 2.448 2.651 -5.535 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.655 3.483 -8.284 1.00 1.51 H new ATOM 0 HD22 LEU A 86 4.208 2.047 -7.389 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.618 1.882 -9.060 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.341 1.615 -8.592 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.952 2.333 -9.702 1.00 0.23 C ATOM 1404 C LEU A 87 -1.193 3.629 -9.947 1.00 0.26 C ATOM 1405 O LEU A 87 -0.582 4.177 -9.028 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.417 2.642 -9.406 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.282 1.434 -9.057 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.630 1.897 -8.539 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.459 0.529 -10.268 1.00 0.24 C ATOM 0 H LEU A 87 -1.845 1.699 -7.709 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.905 1.705 -10.592 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.462 3.351 -8.579 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.849 3.138 -10.275 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.781 0.860 -8.277 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.242 1.030 -8.292 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.487 2.506 -7.647 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.131 2.488 -9.306 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -5.079 -0.325 -9.996 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.941 1.086 -11.071 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.484 0.177 -10.605 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.210 4.116 -11.173 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.517 5.352 -11.478 1.00 0.41 C ATOM 1423 C GLN A 88 -1.504 6.385 -11.990 1.00 0.47 C ATOM 1424 O GLN A 88 -2.342 6.088 -12.843 1.00 0.52 O ATOM 1425 CB GLN A 88 0.573 5.105 -12.524 1.00 0.50 C ATOM 1426 CG GLN A 88 1.388 6.342 -12.864 1.00 0.73 C ATOM 1427 CD GLN A 88 2.419 6.076 -13.942 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.553 5.693 -13.653 1.00 1.93 O ATOM 1429 NE2 GLN A 88 2.035 6.283 -15.191 1.00 1.78 N ATOM 0 H GLN A 88 -1.688 3.682 -11.963 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.049 5.727 -10.568 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.244 4.328 -12.159 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.110 4.725 -13.435 1.00 0.50 H new ATOM 0 HG2 GLN A 88 0.718 7.136 -13.194 1.00 0.73 H new ATOM 0 HG3 GLN A 88 1.890 6.701 -11.966 1.00 0.73 H new ATOM 0 HE21 GLN A 88 1.086 6.601 -15.387 1.00 1.78 H new ATOM 0 HE22 GLN A 88 2.688 6.125 -15.958 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.357 7.602 -11.474 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.273 8.708 -11.746 1.00 0.58 C ATOM 1440 C HIS A 89 -2.005 9.815 -10.738 1.00 0.56 C ATOM 1441 O HIS A 89 -1.761 10.965 -11.096 1.00 0.58 O ATOM 1442 CB HIS A 89 -3.737 8.252 -11.622 1.00 0.66 C ATOM 1443 CG HIS A 89 -4.746 9.265 -12.076 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.441 9.151 -13.260 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -5.191 10.405 -11.493 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.265 10.172 -13.387 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.134 10.949 -12.328 1.00 1.67 N ATOM 0 H HIS A 89 -0.591 7.852 -10.849 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.110 9.064 -12.763 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -3.870 7.340 -12.203 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -3.938 7.999 -10.581 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -4.864 10.810 -10.547 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -6.934 10.344 -14.217 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -6.650 11.813 -12.158 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.046 9.438 -9.465 1.00 0.58 N ATOM 1457 CA PHE A 90 -1.846 10.364 -8.367 1.00 0.61 C ATOM 1458 C PHE A 90 -0.451 10.985 -8.407 1.00 0.61 C ATOM 1459 O PHE A 90 -0.313 12.199 -8.305 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.073 9.617 -7.059 1.00 0.74 C ATOM 1461 CG PHE A 90 -2.191 10.496 -5.848 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -1.178 10.531 -4.908 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -3.324 11.264 -5.638 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -1.292 11.317 -3.777 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -3.443 12.055 -4.513 1.00 3.95 C ATOM 1466 CZ PHE A 90 -2.427 12.079 -3.579 1.00 3.79 C ATOM 0 H PHE A 90 -2.220 8.477 -9.169 1.00 0.58 H new ATOM 0 HA PHE A 90 -2.558 11.185 -8.453 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.982 9.022 -7.149 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -1.249 8.920 -6.907 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.288 9.938 -5.059 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -4.124 11.244 -6.363 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -0.495 11.335 -3.049 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -4.329 12.654 -4.364 1.00 3.95 H new ATOM 0 HZ PHE A 90 -2.519 12.692 -2.695 1.00 3.79 H new ATOM 1510 N PHE A 94 -0.236 14.823 -8.045 1.00 0.65 N ATOM 1511 CA PHE A 94 0.063 15.259 -6.689 1.00 0.62 C ATOM 1512 C PHE A 94 1.575 15.328 -6.494 1.00 0.55 C ATOM 1513 O PHE A 94 2.314 14.536 -7.079 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.573 14.290 -5.686 1.00 0.63 C ATOM 1515 CG PHE A 94 -0.830 14.886 -4.327 1.00 1.17 C ATOM 1516 CD1 PHE A 94 0.020 14.612 -3.267 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.910 15.725 -4.111 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.203 15.160 -2.019 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.139 16.276 -2.865 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.323 15.980 -1.820 1.00 2.62 C ATOM 0 HA PHE A 94 -0.352 16.253 -6.521 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.516 13.929 -6.096 1.00 0.63 H new ATOM 0 HB3 PHE A 94 0.078 13.423 -5.573 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.868 13.961 -3.419 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.581 15.951 -4.926 1.00 1.16 H new ATOM 0 HE1 PHE A 94 0.478 14.959 -1.205 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.973 16.947 -2.721 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.536 16.375 -0.838 1.00 2.62 H new ATOM 1530 N PRO A 95 2.055 16.302 -5.695 1.00 0.57 N ATOM 1531 CA PRO A 95 3.490 16.495 -5.433 1.00 0.56 C ATOM 1532 C PRO A 95 4.167 15.299 -4.764 1.00 0.50 C ATOM 1533 O PRO A 95 5.385 15.302 -4.581 1.00 0.68 O ATOM 1534 CB PRO A 95 3.534 17.712 -4.502 1.00 0.61 C ATOM 1535 CG PRO A 95 2.160 17.824 -3.942 1.00 0.62 C ATOM 1536 CD PRO A 95 1.243 17.324 -5.017 1.00 0.69 C ATOM 0 HA PRO A 95 4.034 16.624 -6.369 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.272 17.576 -3.711 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.812 18.614 -5.046 1.00 0.61 H new ATOM 0 HG2 PRO A 95 2.058 17.231 -3.033 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.928 18.856 -3.677 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.327 16.902 -4.603 1.00 0.69 H new ATOM 0 HD3 PRO A 95 0.947 18.122 -5.698 1.00 0.69 H new ATOM 1544 N ILE A 96 3.395 14.286 -4.384 1.00 0.36 N ATOM 1545 CA ILE A 96 3.978 13.070 -3.840 1.00 0.29 C ATOM 1546 C ILE A 96 4.090 12.006 -4.917 1.00 0.31 C ATOM 1547 O ILE A 96 3.090 11.466 -5.386 1.00 0.34 O ATOM 1548 CB ILE A 96 3.196 12.485 -2.657 1.00 0.23 C ATOM 1549 CG1 ILE A 96 3.023 13.522 -1.551 1.00 0.29 C ATOM 1550 CG2 ILE A 96 3.952 11.280 -2.125 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.189 13.029 -0.393 1.00 0.24 C ATOM 0 H ILE A 96 2.377 14.284 -4.442 1.00 0.36 H new ATOM 0 HA ILE A 96 4.963 13.359 -3.473 1.00 0.29 H new ATOM 0 HB ILE A 96 2.203 12.188 -2.994 1.00 0.23 H new ATOM 0 HG12 ILE A 96 4.006 13.817 -1.182 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.559 14.415 -1.970 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.408 10.852 -1.283 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.046 10.533 -2.913 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.945 11.589 -1.797 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.106 13.816 0.357 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.194 12.761 -0.749 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.663 12.154 0.050 1.00 0.24 H new ATOM 1563 N LYS A 97 5.315 11.743 -5.317 1.00 0.35 N ATOM 1564 CA LYS A 97 5.615 10.690 -6.262 1.00 0.38 C ATOM 1565 C LYS A 97 6.644 9.745 -5.641 1.00 0.35 C ATOM 1566 O LYS A 97 7.701 10.181 -5.173 1.00 0.44 O ATOM 1567 CB LYS A 97 6.109 11.314 -7.572 1.00 0.50 C ATOM 1568 CG LYS A 97 7.342 12.194 -7.415 1.00 0.75 C ATOM 1569 CD LYS A 97 7.555 13.107 -8.614 1.00 0.78 C ATOM 1570 CE LYS A 97 6.487 14.190 -8.688 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.748 15.157 -9.786 1.00 1.38 N ATOM 0 H LYS A 97 6.135 12.256 -4.994 1.00 0.35 H new ATOM 0 HA LYS A 97 4.725 10.106 -6.494 1.00 0.38 H new ATOM 0 HB2 LYS A 97 6.333 10.516 -8.280 1.00 0.50 H new ATOM 0 HB3 LYS A 97 5.304 11.908 -8.005 1.00 0.50 H new ATOM 0 HG2 LYS A 97 7.242 12.799 -6.514 1.00 0.75 H new ATOM 0 HG3 LYS A 97 8.221 11.564 -7.280 1.00 0.75 H new ATOM 0 HD2 LYS A 97 8.540 13.570 -8.550 1.00 0.78 H new ATOM 0 HD3 LYS A 97 7.539 12.516 -9.530 1.00 0.78 H new ATOM 0 HE2 LYS A 97 5.511 13.727 -8.837 1.00 0.91 H new ATOM 0 HE3 LYS A 97 6.445 14.723 -7.738 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.997 15.877 -9.800 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.667 15.618 -9.631 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.762 14.654 -10.696 1.00 1.38 H new ATOM 1585 N VAL A 98 6.341 8.452 -5.617 1.00 0.30 N ATOM 1586 CA VAL A 98 7.115 7.510 -4.809 1.00 0.26 C ATOM 1587 C VAL A 98 7.343 6.168 -5.504 1.00 0.28 C ATOM 1588 O VAL A 98 6.854 5.932 -6.610 1.00 0.33 O ATOM 1589 CB VAL A 98 6.422 7.259 -3.455 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.373 8.541 -2.640 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.021 6.702 -3.667 1.00 0.21 C ATOM 0 H VAL A 98 5.573 8.033 -6.141 1.00 0.30 H new ATOM 0 HA VAL A 98 8.089 7.976 -4.658 1.00 0.26 H new ATOM 0 HB VAL A 98 7.002 6.521 -2.900 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.881 8.348 -1.687 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.388 8.896 -2.459 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.815 9.300 -3.189 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.547 6.531 -2.700 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.429 7.415 -4.240 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.083 5.760 -4.212 1.00 0.21 H new ATOM 1601 N ASP A 99 8.125 5.311 -4.846 1.00 0.28 N ATOM 1602 CA ASP A 99 8.409 3.963 -5.332 1.00 0.32 C ATOM 1603 C ASP A 99 8.257 2.950 -4.199 1.00 0.23 C ATOM 1604 O ASP A 99 8.750 3.163 -3.090 1.00 0.27 O ATOM 1605 CB ASP A 99 9.821 3.872 -5.909 1.00 0.51 C ATOM 1606 CG ASP A 99 9.934 4.437 -7.311 1.00 0.63 C ATOM 1607 OD1 ASP A 99 10.008 3.639 -8.271 1.00 1.11 O ATOM 1608 OD2 ASP A 99 9.960 5.678 -7.462 1.00 0.98 O ATOM 0 H ASP A 99 8.579 5.534 -3.960 1.00 0.28 H new ATOM 0 HA ASP A 99 7.694 3.736 -6.123 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.509 4.406 -5.253 1.00 0.51 H new ATOM 0 HB3 ASP A 99 10.135 2.828 -5.919 1.00 0.51 H new ATOM 1613 N LEU A 100 7.576 1.850 -4.489 1.00 0.19 N ATOM 1614 CA LEU A 100 7.257 0.842 -3.488 1.00 0.13 C ATOM 1615 C LEU A 100 8.140 -0.392 -3.649 1.00 0.13 C ATOM 1616 O LEU A 100 8.351 -0.861 -4.766 1.00 0.16 O ATOM 1617 CB LEU A 100 5.787 0.439 -3.624 1.00 0.18 C ATOM 1618 CG LEU A 100 4.764 1.551 -3.364 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.708 2.531 -4.523 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.384 0.961 -3.114 1.00 0.35 C ATOM 0 H LEU A 100 7.230 1.632 -5.423 1.00 0.19 H new ATOM 0 HA LEU A 100 7.439 1.267 -2.501 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.627 0.052 -4.631 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.589 -0.380 -2.933 1.00 0.18 H new ATOM 0 HG LEU A 100 5.084 2.093 -2.474 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.974 3.307 -4.308 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.688 2.987 -4.661 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.422 2.003 -5.433 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.672 1.766 -2.931 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.069 0.389 -3.987 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.421 0.305 -2.244 1.00 0.35 H new ATOM 1632 N TYR A 101 8.655 -0.914 -2.536 1.00 0.13 N ATOM 1633 CA TYR A 101 9.521 -2.099 -2.565 1.00 0.16 C ATOM 1634 C TYR A 101 9.087 -3.132 -1.525 1.00 0.16 C ATOM 1635 O TYR A 101 8.578 -2.778 -0.459 1.00 0.19 O ATOM 1636 CB TYR A 101 10.994 -1.720 -2.320 1.00 0.19 C ATOM 1637 CG TYR A 101 11.703 -1.140 -3.526 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.192 -0.044 -4.203 1.00 0.20 C ATOM 1639 CD2 TYR A 101 12.888 -1.697 -3.987 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.835 0.480 -5.301 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.539 -1.175 -5.086 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.007 -0.085 -5.739 1.00 0.28 C ATOM 1643 OH TYR A 101 13.646 0.441 -6.836 1.00 0.33 O ATOM 0 H TYR A 101 8.489 -0.538 -1.603 1.00 0.13 H new ATOM 0 HA TYR A 101 9.426 -2.536 -3.559 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.039 -0.997 -1.506 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.534 -2.607 -1.989 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.272 0.407 -3.862 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.307 -2.552 -3.478 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.419 1.333 -5.817 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.461 -1.619 -5.432 1.00 0.30 H new ATOM 0 HH TYR A 101 13.858 -0.278 -7.467 1.00 0.33 H new ATOM 1653 N PHE A 102 9.290 -4.408 -1.850 1.00 0.16 N ATOM 1654 CA PHE A 102 9.037 -5.501 -0.915 1.00 0.16 C ATOM 1655 C PHE A 102 10.337 -6.173 -0.495 1.00 0.15 C ATOM 1656 O PHE A 102 11.330 -6.155 -1.226 1.00 0.19 O ATOM 1657 CB PHE A 102 8.152 -6.598 -1.523 1.00 0.20 C ATOM 1658 CG PHE A 102 6.690 -6.293 -1.599 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.070 -5.575 -0.604 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.930 -6.771 -2.652 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.716 -5.333 -0.652 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.575 -6.526 -2.711 1.00 0.34 C ATOM 1663 CZ PHE A 102 3.966 -5.804 -1.708 1.00 0.31 C ATOM 0 H PHE A 102 9.632 -4.711 -2.762 1.00 0.16 H new ATOM 0 HA PHE A 102 8.532 -5.045 -0.063 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.511 -6.811 -2.530 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.283 -7.509 -0.939 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.651 -5.197 0.224 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.404 -7.342 -3.436 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.240 -4.773 0.139 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.993 -6.899 -3.541 1.00 0.34 H new ATOM 0 HZ PHE A 102 2.905 -5.608 -1.749 1.00 0.31 H new ATOM 1673 N LEU A 103 10.299 -6.788 0.672 1.00 0.16 N ATOM 1674 CA LEU A 103 11.380 -7.626 1.160 1.00 0.17 C ATOM 1675 C LEU A 103 10.876 -9.067 1.218 1.00 0.18 C ATOM 1676 O LEU A 103 9.943 -9.358 1.959 1.00 0.19 O ATOM 1677 CB LEU A 103 11.793 -7.151 2.565 1.00 0.18 C ATOM 1678 CG LEU A 103 13.182 -7.569 3.083 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.351 -9.079 3.140 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.286 -6.950 2.242 1.00 0.25 C ATOM 0 H LEU A 103 9.510 -6.720 1.315 1.00 0.16 H new ATOM 0 HA LEU A 103 12.245 -7.564 0.500 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.744 -6.062 2.579 1.00 0.18 H new ATOM 0 HB3 LEU A 103 11.048 -7.513 3.274 1.00 0.18 H new ATOM 0 HG LEU A 103 13.259 -7.193 4.103 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.347 -9.320 3.512 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.602 -9.504 3.808 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.226 -9.497 2.141 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.256 -7.261 2.629 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.185 -7.281 1.208 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.210 -5.863 2.284 1.00 0.25 H new ATOM 1692 N LYS A 104 11.453 -9.956 0.423 1.00 0.23 N ATOM 1693 CA LYS A 104 11.087 -11.367 0.479 1.00 0.29 C ATOM 1694 C LYS A 104 12.299 -12.223 0.808 1.00 0.33 C ATOM 1695 O LYS A 104 13.155 -12.457 -0.045 1.00 0.39 O ATOM 1696 CB LYS A 104 10.451 -11.838 -0.829 1.00 0.42 C ATOM 1697 CG LYS A 104 9.006 -11.398 -0.984 1.00 0.60 C ATOM 1698 CD LYS A 104 8.888 -10.066 -1.701 1.00 0.64 C ATOM 1699 CE LYS A 104 8.701 -10.251 -3.199 1.00 0.66 C ATOM 1700 NZ LYS A 104 9.831 -10.983 -3.834 1.00 1.22 N ATOM 0 H LYS A 104 12.172 -9.730 -0.264 1.00 0.23 H new ATOM 0 HA LYS A 104 10.347 -11.479 1.272 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.033 -11.454 -1.667 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.500 -12.926 -0.878 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.454 -12.157 -1.538 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.543 -11.322 -0.000 1.00 0.60 H new ATOM 0 HD2 LYS A 104 8.045 -9.507 -1.295 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.783 -9.472 -1.516 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.774 -10.795 -3.381 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.596 -9.274 -3.671 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 9.816 -10.822 -4.861 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 10.731 -10.639 -3.443 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 9.737 -12.001 -3.642 1.00 1.22 H new ATOM 1714 N GLY A 105 12.373 -12.678 2.051 1.00 0.34 N ATOM 1715 CA GLY A 105 13.510 -13.451 2.495 1.00 0.42 C ATOM 1716 C GLY A 105 14.730 -12.579 2.644 1.00 0.40 C ATOM 1717 O GLY A 105 14.893 -11.890 3.651 1.00 0.40 O ATOM 0 H GLY A 105 11.659 -12.523 2.763 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.281 -13.928 3.448 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.714 -14.249 1.781 1.00 0.42 H new ATOM 1721 N SER A 106 15.585 -12.607 1.644 1.00 0.40 N ATOM 1722 CA SER A 106 16.702 -11.686 1.571 1.00 0.41 C ATOM 1723 C SER A 106 16.622 -10.893 0.275 1.00 0.37 C ATOM 1724 O SER A 106 17.415 -9.993 0.029 1.00 0.41 O ATOM 1725 CB SER A 106 18.025 -12.449 1.649 1.00 0.52 C ATOM 1726 OG SER A 106 18.045 -13.536 0.738 1.00 1.31 O ATOM 0 H SER A 106 15.528 -13.262 0.864 1.00 0.40 H new ATOM 0 HA SER A 106 16.655 -10.997 2.414 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.851 -11.773 1.430 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.175 -12.818 2.663 1.00 0.52 H new ATOM 0 HG SER A 106 18.903 -14.005 0.807 1.00 1.31 H new ATOM 1732 N LYS A 107 15.637 -11.226 -0.542 1.00 0.36 N ATOM 1733 CA LYS A 107 15.507 -10.640 -1.861 1.00 0.37 C ATOM 1734 C LYS A 107 14.566 -9.440 -1.832 1.00 0.32 C ATOM 1735 O LYS A 107 13.367 -9.580 -1.582 1.00 0.39 O ATOM 1736 CB LYS A 107 14.982 -11.698 -2.833 1.00 0.47 C ATOM 1737 CG LYS A 107 15.009 -11.279 -4.290 1.00 0.65 C ATOM 1738 CD LYS A 107 16.423 -10.993 -4.755 1.00 0.95 C ATOM 1739 CE LYS A 107 16.495 -10.878 -6.265 1.00 1.57 C ATOM 1740 NZ LYS A 107 17.847 -10.471 -6.723 1.00 2.27 N ATOM 0 H LYS A 107 14.912 -11.905 -0.310 1.00 0.36 H new ATOM 0 HA LYS A 107 16.486 -10.292 -2.191 1.00 0.37 H new ATOM 0 HB2 LYS A 107 15.574 -12.606 -2.718 1.00 0.47 H new ATOM 0 HB3 LYS A 107 13.957 -11.949 -2.559 1.00 0.47 H new ATOM 0 HG2 LYS A 107 14.574 -12.067 -4.905 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.392 -10.391 -4.427 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.777 -10.068 -4.301 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.087 -11.789 -4.417 1.00 0.95 H new ATOM 0 HE2 LYS A 107 16.231 -11.835 -6.715 1.00 1.57 H new ATOM 0 HE3 LYS A 107 15.760 -10.150 -6.610 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 17.763 -9.900 -7.588 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 18.311 -9.909 -5.981 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 18.416 -11.319 -6.922 1.00 2.27 H new ATOM 1754 N VAL A 108 15.115 -8.264 -2.085 1.00 0.24 N ATOM 1755 CA VAL A 108 14.315 -7.057 -2.176 1.00 0.22 C ATOM 1756 C VAL A 108 13.916 -6.794 -3.626 1.00 0.23 C ATOM 1757 O VAL A 108 14.742 -6.864 -4.537 1.00 0.30 O ATOM 1758 CB VAL A 108 15.052 -5.828 -1.593 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.500 -5.802 -2.040 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.344 -4.542 -1.993 1.00 0.79 C ATOM 0 H VAL A 108 16.114 -8.120 -2.231 1.00 0.24 H new ATOM 0 HA VAL A 108 13.417 -7.215 -1.578 1.00 0.22 H new ATOM 0 HB VAL A 108 15.036 -5.907 -0.506 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.996 -4.928 -1.617 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.003 -6.706 -1.697 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.544 -5.752 -3.128 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.876 -3.688 -1.574 1.00 0.79 H new ATOM 0 HG22 VAL A 108 14.325 -4.460 -3.080 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.323 -4.555 -1.612 1.00 0.79 H new ATOM 1770 N MET A 109 12.642 -6.503 -3.826 1.00 0.22 N ATOM 1771 CA MET A 109 12.092 -6.303 -5.156 1.00 0.27 C ATOM 1772 C MET A 109 11.135 -5.121 -5.169 1.00 0.24 C ATOM 1773 O MET A 109 10.296 -4.991 -4.281 1.00 0.25 O ATOM 1774 CB MET A 109 11.344 -7.553 -5.610 1.00 0.36 C ATOM 1775 CG MET A 109 12.244 -8.699 -6.033 1.00 0.44 C ATOM 1776 SD MET A 109 11.304 -10.170 -6.488 1.00 1.47 S ATOM 1777 CE MET A 109 12.609 -11.221 -7.119 1.00 1.85 C ATOM 0 H MET A 109 11.961 -6.399 -3.073 1.00 0.22 H new ATOM 0 HA MET A 109 12.920 -6.102 -5.836 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.700 -7.892 -4.798 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.693 -7.290 -6.444 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.856 -8.385 -6.878 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.926 -8.943 -5.219 1.00 0.44 H new ATOM 0 HE1 MET A 109 12.313 -11.628 -8.086 1.00 1.85 H new ATOM 0 HE2 MET A 109 13.522 -10.637 -7.236 1.00 1.85 H new ATOM 0 HE3 MET A 109 12.788 -12.038 -6.420 1.00 1.85 H new ATOM 1787 N PRO A 110 11.257 -4.238 -6.168 1.00 0.24 N ATOM 1788 CA PRO A 110 10.340 -3.113 -6.342 1.00 0.23 C ATOM 1789 C PRO A 110 8.980 -3.554 -6.875 1.00 0.21 C ATOM 1790 O PRO A 110 8.851 -4.620 -7.482 1.00 0.20 O ATOM 1791 CB PRO A 110 11.055 -2.244 -7.372 1.00 0.27 C ATOM 1792 CG PRO A 110 11.836 -3.211 -8.176 1.00 0.29 C ATOM 1793 CD PRO A 110 12.309 -4.249 -7.202 1.00 0.28 C ATOM 0 HA PRO A 110 10.127 -2.605 -5.401 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.346 -1.692 -7.989 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.702 -1.508 -6.894 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.222 -3.657 -8.959 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.677 -2.723 -8.669 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.404 -5.229 -7.671 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.285 -3.998 -6.787 1.00 0.28 H new ATOM 1801 N LEU A 111 7.976 -2.723 -6.646 1.00 0.23 N ATOM 1802 CA LEU A 111 6.632 -2.986 -7.131 1.00 0.22 C ATOM 1803 C LEU A 111 6.526 -2.513 -8.572 1.00 0.22 C ATOM 1804 O LEU A 111 7.038 -1.449 -8.921 1.00 0.26 O ATOM 1805 CB LEU A 111 5.605 -2.230 -6.277 1.00 0.27 C ATOM 1806 CG LEU A 111 4.302 -2.967 -5.943 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.793 -3.804 -7.111 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.497 -3.825 -4.711 1.00 0.31 C ATOM 0 H LEU A 111 8.069 -1.853 -6.122 1.00 0.23 H new ATOM 0 HA LEU A 111 6.430 -4.055 -7.069 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.085 -1.948 -5.340 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.349 -1.305 -6.794 1.00 0.27 H new ATOM 0 HG LEU A 111 3.539 -2.215 -5.742 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.869 -4.305 -6.824 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.604 -3.157 -7.967 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.542 -4.549 -7.378 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.568 -4.346 -4.479 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.285 -4.555 -4.897 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.779 -3.193 -3.869 1.00 0.31 H new ATOM 1820 N ASN A 112 5.868 -3.299 -9.401 1.00 0.22 N ATOM 1821 CA ASN A 112 5.659 -2.919 -10.785 1.00 0.25 C ATOM 1822 C ASN A 112 4.349 -2.161 -10.908 1.00 0.23 C ATOM 1823 O ASN A 112 3.336 -2.551 -10.321 1.00 0.22 O ATOM 1824 CB ASN A 112 5.671 -4.147 -11.700 1.00 0.29 C ATOM 1825 CG ASN A 112 7.049 -4.775 -11.807 1.00 1.06 C ATOM 1826 OD1 ASN A 112 7.853 -4.400 -12.660 1.00 1.85 O ATOM 1827 ND2 ASN A 112 7.335 -5.740 -10.947 1.00 1.69 N ATOM 0 H ASN A 112 5.470 -4.202 -9.142 1.00 0.22 H new ATOM 0 HA ASN A 112 6.476 -2.270 -11.102 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.966 -4.887 -11.320 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.327 -3.860 -12.694 1.00 0.29 H new ATOM 0 HD21 ASN A 112 8.246 -6.198 -10.979 1.00 1.69 H new ATOM 0 HD22 ASN A 112 6.644 -6.026 -10.253 1.00 1.69 H new ATOM 1834 N THR A 113 4.386 -1.062 -11.650 1.00 0.29 N ATOM 1835 CA THR A 113 3.238 -0.183 -11.788 1.00 0.31 C ATOM 1836 C THR A 113 2.046 -0.926 -12.392 1.00 0.28 C ATOM 1837 O THR A 113 2.117 -1.426 -13.515 1.00 0.32 O ATOM 1838 CB THR A 113 3.577 1.029 -12.673 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.734 1.704 -12.156 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.401 1.992 -12.730 1.00 0.45 C ATOM 0 H THR A 113 5.209 -0.758 -12.170 1.00 0.29 H new ATOM 0 HA THR A 113 2.974 0.163 -10.789 1.00 0.31 H new ATOM 0 HB THR A 113 3.788 0.674 -13.682 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.945 2.473 -12.725 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.658 2.843 -13.360 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.533 1.482 -13.146 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.168 2.342 -11.724 1.00 0.45 H new ATOM 1848 N GLY A 114 0.961 -0.990 -11.634 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.244 -1.654 -12.088 1.00 0.27 C ATOM 1850 C GLY A 114 -0.054 -3.143 -12.293 1.00 0.28 C ATOM 1851 O GLY A 114 -0.581 -3.721 -13.243 1.00 0.38 O ATOM 0 H GLY A 114 0.894 -0.588 -10.699 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.039 -1.491 -11.360 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.571 -1.202 -13.024 1.00 0.27 H new ATOM 1855 N GLU A 115 0.708 -3.765 -11.411 1.00 0.26 N ATOM 1856 CA GLU A 115 0.921 -5.198 -11.469 1.00 0.27 C ATOM 1857 C GLU A 115 0.706 -5.805 -10.095 1.00 0.24 C ATOM 1858 O GLU A 115 1.257 -5.316 -9.110 1.00 0.23 O ATOM 1859 CB GLU A 115 2.344 -5.495 -11.939 1.00 0.30 C ATOM 1860 CG GLU A 115 2.573 -6.943 -12.340 1.00 0.38 C ATOM 1861 CD GLU A 115 1.831 -7.317 -13.605 1.00 1.07 C ATOM 1862 OE1 GLU A 115 0.858 -8.094 -13.515 1.00 1.93 O ATOM 1863 OE2 GLU A 115 2.207 -6.835 -14.692 1.00 1.19 O ATOM 0 H GLU A 115 1.191 -3.297 -10.644 1.00 0.26 H new ATOM 0 HA GLU A 115 0.211 -5.633 -12.173 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.577 -4.852 -12.788 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.041 -5.235 -11.142 1.00 0.30 H new ATOM 0 HG2 GLU A 115 3.640 -7.112 -12.485 1.00 0.38 H new ATOM 0 HG3 GLU A 115 2.254 -7.597 -11.528 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.128 -6.846 -9.999 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.290 -7.596 -8.759 1.00 0.26 C ATOM 1872 C PRO A 116 1.007 -8.293 -8.376 1.00 0.23 C ATOM 1873 O PRO A 116 1.461 -9.214 -9.058 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.382 -8.617 -9.088 1.00 0.33 C ATOM 1875 CG PRO A 116 -1.372 -8.723 -10.572 1.00 0.68 C ATOM 1876 CD PRO A 116 -0.988 -7.364 -11.073 1.00 0.34 C ATOM 0 HA PRO A 116 -0.550 -6.961 -7.913 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.176 -9.580 -8.622 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.354 -8.287 -8.722 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -0.661 -9.479 -10.906 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.351 -9.017 -10.950 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.457 -7.419 -12.024 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.861 -6.731 -11.232 1.00 0.34 H new ATOM 1884 N PHE A 117 1.602 -7.839 -7.295 1.00 0.20 N ATOM 1885 CA PHE A 117 2.867 -8.384 -6.841 1.00 0.21 C ATOM 1886 C PHE A 117 2.662 -9.105 -5.520 1.00 0.21 C ATOM 1887 O PHE A 117 1.927 -8.630 -4.652 1.00 0.19 O ATOM 1888 CB PHE A 117 3.892 -7.257 -6.696 1.00 0.23 C ATOM 1889 CG PHE A 117 5.322 -7.714 -6.568 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.261 -6.890 -5.976 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.730 -8.954 -7.042 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.578 -7.289 -5.852 1.00 0.35 C ATOM 1893 CE2 PHE A 117 7.045 -9.358 -6.922 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.969 -8.525 -6.326 1.00 0.41 C ATOM 0 H PHE A 117 1.230 -7.091 -6.710 1.00 0.20 H new ATOM 0 HA PHE A 117 3.245 -9.099 -7.572 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.812 -6.599 -7.561 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.636 -6.663 -5.819 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.961 -5.921 -5.605 1.00 0.29 H new ATOM 0 HD2 PHE A 117 5.011 -9.610 -7.510 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.300 -6.635 -5.385 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.350 -10.325 -7.294 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.998 -8.840 -6.230 1.00 0.41 H new ATOM 1904 N VAL A 118 3.299 -10.256 -5.386 1.00 0.25 N ATOM 1905 CA VAL A 118 3.088 -11.123 -4.240 1.00 0.28 C ATOM 1906 C VAL A 118 3.510 -10.447 -2.930 1.00 0.26 C ATOM 1907 O VAL A 118 4.679 -10.112 -2.725 1.00 0.29 O ATOM 1908 CB VAL A 118 3.815 -12.479 -4.415 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.320 -12.304 -4.557 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.482 -13.412 -3.263 1.00 0.71 C ATOM 0 H VAL A 118 3.972 -10.614 -6.064 1.00 0.25 H new ATOM 0 HA VAL A 118 2.017 -11.318 -4.183 1.00 0.28 H new ATOM 0 HB VAL A 118 3.457 -12.928 -5.342 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.790 -13.280 -4.677 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.534 -11.688 -5.430 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.716 -11.818 -3.665 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.001 -14.361 -3.401 1.00 0.71 H new ATOM 0 HG22 VAL A 118 3.799 -12.958 -2.324 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.407 -13.587 -3.236 1.00 0.71 H new ATOM 1920 N VAL A 119 2.534 -10.239 -2.056 1.00 0.23 N ATOM 1921 CA VAL A 119 2.764 -9.585 -0.774 1.00 0.22 C ATOM 1922 C VAL A 119 2.388 -10.517 0.383 1.00 0.23 C ATOM 1923 O VAL A 119 2.680 -10.247 1.549 1.00 0.23 O ATOM 1924 CB VAL A 119 1.944 -8.278 -0.684 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.462 -8.559 -0.832 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.218 -7.547 0.616 1.00 0.22 C ATOM 0 H VAL A 119 1.565 -10.517 -2.214 1.00 0.23 H new ATOM 0 HA VAL A 119 3.825 -9.345 -0.699 1.00 0.22 H new ATOM 0 HB VAL A 119 2.256 -7.634 -1.506 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.094 -7.624 -0.765 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.275 -9.024 -1.800 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.138 -9.231 -0.038 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.627 -6.632 0.650 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.947 -8.186 1.457 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.277 -7.297 0.677 1.00 0.22 H new ATOM 1936 N GLN A 120 1.772 -11.641 0.042 1.00 0.27 N ATOM 1937 CA GLN A 120 1.223 -12.548 1.043 1.00 0.33 C ATOM 1938 C GLN A 120 2.309 -13.237 1.862 1.00 0.45 C ATOM 1939 O GLN A 120 2.025 -13.824 2.907 1.00 1.35 O ATOM 1940 CB GLN A 120 0.350 -13.616 0.383 1.00 0.32 C ATOM 1941 CG GLN A 120 1.090 -14.504 -0.607 1.00 0.37 C ATOM 1942 CD GLN A 120 0.208 -15.605 -1.162 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.733 -16.051 -0.508 1.00 1.23 O ATOM 1944 NE2 GLN A 120 0.519 -16.071 -2.359 1.00 1.21 N ATOM 0 H GLN A 120 1.639 -11.948 -0.922 1.00 0.27 H new ATOM 0 HA GLN A 120 0.623 -11.936 1.716 1.00 0.33 H new ATOM 0 HB2 GLN A 120 -0.087 -14.243 1.160 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.476 -13.126 -0.133 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.466 -13.894 -1.428 1.00 0.37 H new ATOM 0 HG3 GLN A 120 1.956 -14.948 -0.117 1.00 0.37 H new ATOM 0 HE21 GLN A 120 1.307 -15.675 -2.871 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -0.029 -16.826 -2.770 1.00 1.21 H new ATOM 1953 N ASP A 121 3.540 -13.168 1.392 1.00 0.72 N ATOM 1954 CA ASP A 121 4.621 -13.907 2.014 1.00 0.76 C ATOM 1955 C ASP A 121 5.892 -13.063 2.053 1.00 0.65 C ATOM 1956 O ASP A 121 7.003 -13.559 1.859 1.00 0.96 O ATOM 1957 CB ASP A 121 4.834 -15.218 1.251 1.00 0.96 C ATOM 1958 CG ASP A 121 5.839 -16.142 1.914 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.832 -16.519 1.258 1.00 1.55 O ATOM 1960 OD2 ASP A 121 5.651 -16.480 3.105 1.00 2.35 O ATOM 0 H ASP A 121 3.815 -12.610 0.584 1.00 0.72 H new ATOM 0 HA ASP A 121 4.362 -14.144 3.046 1.00 0.76 H new ATOM 0 HB2 ASP A 121 3.879 -15.736 1.160 1.00 0.96 H new ATOM 0 HB3 ASP A 121 5.172 -14.991 0.240 1.00 0.96 H new ATOM 1965 N ILE A 122 5.726 -11.771 2.299 1.00 0.37 N ATOM 1966 CA ILE A 122 6.872 -10.883 2.403 1.00 0.29 C ATOM 1967 C ILE A 122 7.357 -10.801 3.841 1.00 0.24 C ATOM 1968 O ILE A 122 6.709 -11.295 4.765 1.00 0.32 O ATOM 1969 CB ILE A 122 6.586 -9.451 1.887 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.619 -8.706 2.815 1.00 0.26 C ATOM 1971 CG2 ILE A 122 6.025 -9.503 0.477 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.489 -7.229 2.493 1.00 0.31 C ATOM 0 H ILE A 122 4.820 -11.320 2.429 1.00 0.37 H new ATOM 0 HA ILE A 122 7.642 -11.316 1.765 1.00 0.29 H new ATOM 0 HB ILE A 122 7.529 -8.904 1.876 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.636 -9.172 2.751 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.958 -8.817 3.845 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.828 -8.490 0.126 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.747 -9.982 -0.184 1.00 0.36 H new ATOM 0 HG23 ILE A 122 5.097 -10.074 0.476 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.790 -6.765 3.189 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.464 -6.749 2.585 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.120 -7.110 1.474 1.00 0.31 H new ATOM 1984 N ASP A 123 8.509 -10.190 4.004 1.00 0.23 N ATOM 1985 CA ASP A 123 9.098 -9.971 5.309 1.00 0.25 C ATOM 1986 C ASP A 123 8.853 -8.546 5.751 1.00 0.25 C ATOM 1987 O ASP A 123 8.577 -8.276 6.920 1.00 0.29 O ATOM 1988 CB ASP A 123 10.598 -10.239 5.248 1.00 0.26 C ATOM 1989 CG ASP A 123 10.919 -11.718 5.218 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.767 -12.345 4.150 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.328 -12.262 6.263 1.00 0.50 O ATOM 0 H ASP A 123 9.068 -9.828 3.231 1.00 0.23 H new ATOM 0 HA ASP A 123 8.639 -10.652 6.026 1.00 0.25 H new ATOM 0 HB2 ASP A 123 11.014 -9.762 4.361 1.00 0.26 H new ATOM 0 HB3 ASP A 123 11.081 -9.782 6.112 1.00 0.26 H new ATOM 1996 N ALA A 124 8.960 -7.632 4.804 1.00 0.21 N ATOM 1997 CA ALA A 124 8.754 -6.229 5.078 1.00 0.21 C ATOM 1998 C ALA A 124 8.437 -5.477 3.797 1.00 0.19 C ATOM 1999 O ALA A 124 8.729 -5.952 2.702 1.00 0.19 O ATOM 2000 CB ALA A 124 9.993 -5.645 5.744 1.00 0.22 C ATOM 0 H ALA A 124 9.190 -7.842 3.833 1.00 0.21 H new ATOM 0 HA ALA A 124 7.906 -6.124 5.754 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.832 -4.587 5.948 1.00 0.22 H new ATOM 0 HB2 ALA A 124 10.185 -6.170 6.680 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.851 -5.760 5.081 1.00 0.22 H new ATOM 2006 N MET A 125 7.815 -4.324 3.943 1.00 0.19 N ATOM 2007 CA MET A 125 7.594 -3.422 2.826 1.00 0.16 C ATOM 2008 C MET A 125 7.938 -1.996 3.248 1.00 0.16 C ATOM 2009 O MET A 125 7.900 -1.666 4.431 1.00 0.18 O ATOM 2010 CB MET A 125 6.152 -3.494 2.292 1.00 0.24 C ATOM 2011 CG MET A 125 5.837 -2.339 1.348 1.00 0.31 C ATOM 2012 SD MET A 125 4.505 -2.634 0.201 1.00 1.16 S ATOM 2013 CE MET A 125 4.777 -1.293 -0.937 1.00 0.73 C ATOM 0 H MET A 125 7.450 -3.986 4.833 1.00 0.19 H new ATOM 0 HA MET A 125 8.247 -3.733 2.011 1.00 0.16 H new ATOM 0 HB2 MET A 125 6.005 -4.440 1.770 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.454 -3.480 3.129 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.593 -1.460 1.945 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.736 -2.099 0.781 1.00 0.31 H new ATOM 0 HE1 MET A 125 4.270 -1.506 -1.878 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.382 -0.370 -0.513 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.846 -1.181 -1.118 1.00 0.73 H new ATOM 2023 N SER A 126 8.316 -1.167 2.287 1.00 0.16 N ATOM 2024 CA SER A 126 8.636 0.230 2.557 1.00 0.18 C ATOM 2025 C SER A 126 8.366 1.089 1.330 1.00 0.22 C ATOM 2026 O SER A 126 8.289 0.578 0.208 1.00 0.29 O ATOM 2027 CB SER A 126 10.094 0.372 2.985 1.00 0.24 C ATOM 2028 OG SER A 126 10.342 -0.336 4.187 1.00 1.22 O ATOM 0 H SER A 126 8.410 -1.437 1.308 1.00 0.16 H new ATOM 0 HA SER A 126 7.997 0.574 3.370 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.746 -0.003 2.197 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.335 1.426 3.123 1.00 0.24 H new ATOM 0 HG SER A 126 10.684 -1.230 3.976 1.00 1.22 H new ATOM 2034 N VAL A 127 8.214 2.388 1.551 1.00 0.21 N ATOM 2035 CA VAL A 127 7.904 3.317 0.477 1.00 0.23 C ATOM 2036 C VAL A 127 8.917 4.458 0.462 1.00 0.22 C ATOM 2037 O VAL A 127 8.923 5.297 1.363 1.00 0.19 O ATOM 2038 CB VAL A 127 6.489 3.915 0.647 1.00 0.23 C ATOM 2039 CG1 VAL A 127 6.015 4.551 -0.649 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.501 2.861 1.138 1.00 0.26 C ATOM 0 H VAL A 127 8.301 2.822 2.470 1.00 0.21 H new ATOM 0 HA VAL A 127 7.947 2.763 -0.461 1.00 0.23 H new ATOM 0 HB VAL A 127 6.541 4.695 1.406 1.00 0.23 H new ATOM 0 HG11 VAL A 127 5.017 4.966 -0.507 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.702 5.348 -0.936 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.986 3.797 -1.435 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.514 3.311 1.248 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.450 2.046 0.416 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.832 2.472 2.101 1.00 0.26 H new ATOM 2050 N LEU A 128 9.775 4.483 -0.550 1.00 0.28 N ATOM 2051 CA LEU A 128 10.754 5.558 -0.680 1.00 0.32 C ATOM 2052 C LEU A 128 10.278 6.528 -1.752 1.00 0.33 C ATOM 2053 O LEU A 128 9.721 6.103 -2.764 1.00 0.38 O ATOM 2054 CB LEU A 128 12.152 5.050 -1.088 1.00 0.43 C ATOM 2055 CG LEU A 128 12.802 3.927 -0.258 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.266 3.854 1.164 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.655 2.590 -0.963 1.00 0.42 C ATOM 0 H LEU A 128 9.814 3.779 -1.287 1.00 0.28 H new ATOM 0 HA LEU A 128 10.839 6.034 0.297 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.090 4.705 -2.120 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.830 5.903 -1.078 1.00 0.43 H new ATOM 0 HG LEU A 128 13.861 4.169 -0.175 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.762 3.044 1.699 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.459 4.797 1.675 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.192 3.668 1.139 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.120 1.809 -0.362 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.597 2.364 -1.097 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.142 2.637 -1.937 1.00 0.42 H new ATOM 2069 N PRO A 129 10.471 7.838 -1.567 1.00 0.35 N ATOM 2070 CA PRO A 129 10.112 8.801 -2.595 1.00 0.40 C ATOM 2071 C PRO A 129 11.169 8.889 -3.685 1.00 0.56 C ATOM 2072 O PRO A 129 12.288 9.331 -3.435 1.00 0.91 O ATOM 2073 CB PRO A 129 10.031 10.114 -1.834 1.00 0.47 C ATOM 2074 CG PRO A 129 10.972 9.953 -0.683 1.00 0.52 C ATOM 2075 CD PRO A 129 11.024 8.478 -0.362 1.00 0.41 C ATOM 0 HA PRO A 129 9.188 8.531 -3.106 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.320 10.954 -2.465 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.015 10.308 -1.489 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.963 10.328 -0.939 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.628 10.524 0.180 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.044 8.147 -0.165 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.435 8.240 0.524 1.00 0.41 H new ATOM 2083 N LYS A 130 10.746 8.547 -4.899 1.00 0.43 N ATOM 2084 CA LYS A 130 11.604 8.474 -6.092 1.00 0.53 C ATOM 2085 C LYS A 130 12.922 7.719 -5.871 1.00 0.47 C ATOM 2086 O LYS A 130 13.093 6.620 -6.399 1.00 0.81 O ATOM 2087 CB LYS A 130 11.857 9.862 -6.673 1.00 0.74 C ATOM 2088 CG LYS A 130 10.643 10.452 -7.372 1.00 0.83 C ATOM 2089 CD LYS A 130 10.040 9.466 -8.364 1.00 1.76 C ATOM 2090 CE LYS A 130 8.782 8.809 -7.810 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.455 7.537 -8.504 1.00 3.29 N ATOM 0 H LYS A 130 9.774 8.306 -5.092 1.00 0.43 H new ATOM 0 HA LYS A 130 11.046 7.883 -6.818 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.168 10.532 -5.872 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.684 9.807 -7.381 1.00 0.74 H new ATOM 0 HG2 LYS A 130 9.893 10.729 -6.631 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.929 11.366 -7.893 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.801 9.984 -9.293 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.775 8.698 -8.607 1.00 1.76 H new ATOM 0 HE2 LYS A 130 8.915 8.615 -6.746 1.00 2.10 H new ATOM 0 HE3 LYS A 130 7.943 9.498 -7.906 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.583 7.137 -8.103 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 8.318 7.720 -9.518 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 9.236 6.862 -8.377 1.00 3.29 H new ATOM 2105 N GLY A 131 13.848 8.317 -5.126 1.00 0.43 N ATOM 2106 CA GLY A 131 15.115 7.675 -4.827 1.00 0.39 C ATOM 2107 C GLY A 131 14.936 6.432 -3.977 1.00 0.33 C ATOM 2108 O GLY A 131 15.069 6.469 -2.754 1.00 0.44 O ATOM 0 H GLY A 131 13.740 9.246 -4.720 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.615 7.408 -5.758 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.764 8.379 -4.307 1.00 0.39 H new ATOM 2112 N SER A 132 14.632 5.334 -4.641 1.00 0.31 N ATOM 2113 CA SER A 132 14.352 4.071 -3.988 1.00 0.36 C ATOM 2114 C SER A 132 15.633 3.288 -3.734 1.00 0.39 C ATOM 2115 O SER A 132 15.606 2.215 -3.128 1.00 0.44 O ATOM 2116 CB SER A 132 13.373 3.263 -4.832 1.00 0.49 C ATOM 2117 OG SER A 132 13.800 3.188 -6.182 1.00 1.23 O ATOM 0 H SER A 132 14.572 5.294 -5.658 1.00 0.31 H new ATOM 0 HA SER A 132 13.898 4.271 -3.018 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.278 2.258 -4.421 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.385 3.721 -4.785 1.00 0.49 H new ATOM 0 HG SER A 132 13.783 2.254 -6.479 1.00 1.23 H new ATOM 2123 N SER A 133 16.748 3.833 -4.211 1.00 0.40 N ATOM 2124 CA SER A 133 18.060 3.205 -4.085 1.00 0.48 C ATOM 2125 C SER A 133 18.436 2.908 -2.629 1.00 0.45 C ATOM 2126 O SER A 133 19.431 2.235 -2.368 1.00 0.51 O ATOM 2127 CB SER A 133 19.105 4.108 -4.726 1.00 0.58 C ATOM 2128 OG SER A 133 18.959 5.444 -4.271 1.00 1.30 O ATOM 0 H SER A 133 16.767 4.728 -4.699 1.00 0.40 H new ATOM 0 HA SER A 133 18.022 2.244 -4.598 1.00 0.48 H new ATOM 0 HB2 SER A 133 20.104 3.744 -4.486 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.005 4.075 -5.811 1.00 0.58 H new ATOM 0 HG SER A 133 19.640 6.009 -4.692 1.00 1.30 H new ATOM 2134 N SER A 134 17.649 3.419 -1.689 1.00 0.40 N ATOM 2135 CA SER A 134 17.802 3.069 -0.286 1.00 0.39 C ATOM 2136 C SER A 134 17.624 1.565 -0.099 1.00 0.34 C ATOM 2137 O SER A 134 18.342 0.929 0.669 1.00 0.39 O ATOM 2138 CB SER A 134 16.763 3.820 0.549 1.00 0.39 C ATOM 2139 OG SER A 134 16.857 5.220 0.345 1.00 0.44 O ATOM 0 H SER A 134 16.895 4.080 -1.877 1.00 0.40 H new ATOM 0 HA SER A 134 18.802 3.351 0.043 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.763 3.477 0.284 1.00 0.39 H new ATOM 0 HB3 SER A 134 16.908 3.593 1.605 1.00 0.39 H new ATOM 0 HG SER A 134 16.607 5.688 1.169 1.00 0.44 H new ATOM 2145 N LEU A 135 16.658 1.010 -0.816 1.00 0.28 N ATOM 2146 CA LEU A 135 16.315 -0.395 -0.686 1.00 0.26 C ATOM 2147 C LEU A 135 16.548 -1.159 -1.991 1.00 0.28 C ATOM 2148 O LEU A 135 16.446 -2.380 -2.026 1.00 0.37 O ATOM 2149 CB LEU A 135 14.856 -0.500 -0.236 1.00 0.24 C ATOM 2150 CG LEU A 135 14.588 0.049 1.171 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.104 0.036 1.481 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.341 -0.763 2.197 1.00 0.29 C ATOM 0 H LEU A 135 16.095 1.518 -1.498 1.00 0.28 H new ATOM 0 HA LEU A 135 16.964 -0.854 0.059 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.229 0.036 -0.948 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.552 -1.546 -0.269 1.00 0.24 H new ATOM 0 HG LEU A 135 14.936 1.081 1.209 1.00 0.24 H new ATOM 0 HD11 LEU A 135 12.938 0.430 2.484 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.575 0.655 0.756 1.00 0.25 H new ATOM 0 HD13 LEU A 135 12.730 -0.986 1.426 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.144 -0.365 3.192 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.014 -1.802 2.150 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.410 -0.710 1.990 1.00 0.29 H new ATOM 2164 N LYS A 136 16.885 -0.443 -3.056 1.00 0.30 N ATOM 2165 CA LYS A 136 17.050 -1.060 -4.367 1.00 0.35 C ATOM 2166 C LYS A 136 18.424 -1.703 -4.499 1.00 0.37 C ATOM 2167 O LYS A 136 19.359 -1.100 -5.032 1.00 0.42 O ATOM 2168 CB LYS A 136 16.865 -0.025 -5.476 1.00 0.40 C ATOM 2169 CG LYS A 136 16.774 -0.637 -6.866 1.00 0.46 C ATOM 2170 CD LYS A 136 16.818 0.428 -7.948 1.00 0.57 C ATOM 2171 CE LYS A 136 18.215 1.007 -8.113 1.00 0.98 C ATOM 2172 NZ LYS A 136 19.192 -0.013 -8.576 1.00 1.66 N ATOM 0 H LYS A 136 17.049 0.564 -3.039 1.00 0.30 H new ATOM 0 HA LYS A 136 16.288 -1.833 -4.466 1.00 0.35 H new ATOM 0 HB2 LYS A 136 15.959 0.549 -5.280 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.699 0.677 -5.450 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.596 -1.338 -7.010 1.00 0.46 H new ATOM 0 HG3 LYS A 136 15.850 -1.208 -6.953 1.00 0.46 H new ATOM 0 HD2 LYS A 136 16.488 -0.001 -8.894 1.00 0.57 H new ATOM 0 HD3 LYS A 136 16.120 1.228 -7.700 1.00 0.57 H new ATOM 0 HE2 LYS A 136 18.184 1.829 -8.828 1.00 0.98 H new ATOM 0 HE3 LYS A 136 18.549 1.423 -7.163 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 20.032 0.462 -8.963 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 19.472 -0.614 -7.775 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 18.756 -0.601 -9.314 1.00 1.66 H new ATOM 2186 N VAL A 137 18.547 -2.915 -3.998 1.00 0.37 N ATOM 2187 CA VAL A 137 19.782 -3.668 -4.104 1.00 0.42 C ATOM 2188 C VAL A 137 19.458 -5.135 -4.408 1.00 0.46 C ATOM 2189 O VAL A 137 18.287 -5.513 -4.411 1.00 0.51 O ATOM 2190 CB VAL A 137 20.613 -3.501 -2.804 1.00 0.41 C ATOM 2191 CG1 VAL A 137 19.810 -3.941 -1.600 1.00 0.34 C ATOM 2192 CG2 VAL A 137 21.943 -4.237 -2.863 1.00 0.51 C ATOM 0 H VAL A 137 17.798 -3.405 -3.508 1.00 0.37 H new ATOM 0 HA VAL A 137 20.390 -3.287 -4.925 1.00 0.42 H new ATOM 0 HB VAL A 137 20.844 -2.440 -2.707 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.409 -3.817 -0.698 1.00 0.34 H new ATOM 0 HG12 VAL A 137 18.908 -3.334 -1.523 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.534 -4.990 -1.710 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.484 -4.087 -1.929 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.763 -5.302 -3.011 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.536 -3.850 -3.692 1.00 0.51 H new ATOM 2202 N LYS A 138 20.464 -5.940 -4.705 1.00 0.50 N ATOM 2203 CA LYS A 138 20.258 -7.344 -5.057 1.00 0.57 C ATOM 2204 C LYS A 138 19.632 -8.113 -3.898 1.00 0.47 C ATOM 2205 O LYS A 138 18.663 -8.854 -4.075 1.00 0.53 O ATOM 2206 CB LYS A 138 21.599 -7.965 -5.431 1.00 0.69 C ATOM 2207 CG LYS A 138 22.380 -7.110 -6.407 1.00 1.22 C ATOM 2208 CD LYS A 138 23.871 -7.220 -6.171 1.00 1.34 C ATOM 2209 CE LYS A 138 24.600 -6.019 -6.745 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.059 -6.068 -6.468 1.00 2.06 N ATOM 0 H LYS A 138 21.441 -5.647 -4.711 1.00 0.50 H new ATOM 0 HA LYS A 138 19.574 -7.399 -5.904 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.191 -8.114 -4.528 1.00 0.69 H new ATOM 0 HB3 LYS A 138 21.431 -8.949 -5.868 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.148 -7.417 -7.427 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.071 -6.069 -6.309 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.070 -7.294 -5.102 1.00 1.34 H new ATOM 0 HD3 LYS A 138 24.249 -8.134 -6.630 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.437 -5.977 -7.822 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.181 -5.105 -6.323 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.518 -5.229 -6.877 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.217 -6.082 -5.440 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.464 -6.927 -6.893 1.00 2.06 H new ATOM 2224 N THR A 139 20.183 -7.909 -2.714 1.00 0.37 N ATOM 2225 CA THR A 139 19.725 -8.599 -1.519 1.00 0.29 C ATOM 2226 C THR A 139 19.756 -7.661 -0.325 1.00 0.25 C ATOM 2227 O THR A 139 20.586 -6.753 -0.262 1.00 0.28 O ATOM 2228 CB THR A 139 20.573 -9.853 -1.223 1.00 0.31 C ATOM 2229 OG1 THR A 139 21.809 -9.800 -1.953 1.00 0.39 O ATOM 2230 CG2 THR A 139 19.811 -11.120 -1.588 1.00 0.39 C ATOM 0 H THR A 139 20.957 -7.264 -2.553 1.00 0.37 H new ATOM 0 HA THR A 139 18.700 -8.922 -1.700 1.00 0.29 H new ATOM 0 HB THR A 139 20.789 -9.873 -0.155 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.340 -10.600 -1.756 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.429 -11.991 -1.371 1.00 0.39 H new ATOM 0 HG22 THR A 139 18.892 -11.172 -1.005 1.00 0.39 H new ATOM 0 HG23 THR A 139 19.567 -11.104 -2.650 1.00 0.39 H new ATOM 2238 N MET A 140 18.850 -7.873 0.613 1.00 0.26 N ATOM 2239 CA MET A 140 18.677 -6.953 1.717 1.00 0.32 C ATOM 2240 C MET A 140 18.229 -7.648 2.997 1.00 0.34 C ATOM 2241 O MET A 140 17.667 -8.744 2.967 1.00 0.38 O ATOM 2242 CB MET A 140 17.658 -5.896 1.344 1.00 0.38 C ATOM 2243 CG MET A 140 18.282 -4.557 1.048 1.00 0.60 C ATOM 2244 SD MET A 140 17.192 -3.210 1.451 1.00 0.78 S ATOM 2245 CE MET A 140 16.950 -3.594 3.172 1.00 0.40 C ATOM 0 H MET A 140 18.223 -8.677 0.630 1.00 0.26 H new ATOM 0 HA MET A 140 19.650 -6.501 1.911 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.098 -6.231 0.471 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.942 -5.785 2.159 1.00 0.38 H new ATOM 0 HG2 MET A 140 19.208 -4.456 1.614 1.00 0.60 H new ATOM 0 HG3 MET A 140 18.546 -4.506 -0.008 1.00 0.60 H new ATOM 0 HE1 MET A 140 16.825 -2.670 3.737 1.00 0.40 H new ATOM 0 HE2 MET A 140 16.059 -4.212 3.285 1.00 0.40 H new ATOM 0 HE3 MET A 140 17.817 -4.136 3.549 1.00 0.40 H new ATOM 2255 N ALA A 141 18.498 -6.992 4.119 1.00 0.34 N ATOM 2256 CA ALA A 141 18.053 -7.453 5.423 1.00 0.38 C ATOM 2257 C ALA A 141 16.671 -6.900 5.743 1.00 0.34 C ATOM 2258 O ALA A 141 16.378 -5.735 5.472 1.00 0.36 O ATOM 2259 CB ALA A 141 19.038 -7.010 6.491 1.00 0.44 C ATOM 0 H ALA A 141 19.032 -6.124 4.148 1.00 0.34 H new ATOM 0 HA ALA A 141 18.000 -8.542 5.405 1.00 0.38 H new ATOM 0 HB1 ALA A 141 18.698 -7.359 7.466 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.020 -7.431 6.277 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.103 -5.922 6.497 1.00 0.44 H new ATOM 2265 N LYS A 142 15.836 -7.742 6.341 1.00 0.32 N ATOM 2266 CA LYS A 142 14.499 -7.347 6.770 1.00 0.30 C ATOM 2267 C LYS A 142 14.575 -6.251 7.829 1.00 0.26 C ATOM 2268 O LYS A 142 13.705 -5.385 7.911 1.00 0.24 O ATOM 2269 CB LYS A 142 13.762 -8.568 7.325 1.00 0.33 C ATOM 2270 CG LYS A 142 12.427 -8.250 7.977 1.00 0.32 C ATOM 2271 CD LYS A 142 11.797 -9.496 8.577 1.00 0.38 C ATOM 2272 CE LYS A 142 10.468 -9.188 9.238 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.629 -8.415 10.495 1.00 1.11 N ATOM 0 H LYS A 142 16.066 -8.715 6.542 1.00 0.32 H new ATOM 0 HA LYS A 142 13.954 -6.953 5.912 1.00 0.30 H new ATOM 0 HB2 LYS A 142 13.597 -9.278 6.514 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.402 -9.062 8.056 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.569 -7.500 8.755 1.00 0.32 H new ATOM 0 HG3 LYS A 142 11.752 -7.818 7.238 1.00 0.32 H new ATOM 0 HD2 LYS A 142 11.651 -10.242 7.796 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.476 -9.931 9.310 1.00 0.38 H new ATOM 0 HE2 LYS A 142 9.842 -8.625 8.546 1.00 0.49 H new ATOM 0 HE3 LYS A 142 9.947 -10.121 9.452 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 9.703 -8.302 10.954 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 11.273 -8.923 11.135 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 11.025 -7.478 10.278 1.00 1.11 H new ATOM 2287 N ASP A 143 15.641 -6.292 8.615 1.00 0.29 N ATOM 2288 CA ASP A 143 15.849 -5.345 9.704 1.00 0.31 C ATOM 2289 C ASP A 143 16.216 -3.977 9.147 1.00 0.28 C ATOM 2290 O ASP A 143 15.810 -2.936 9.671 1.00 0.29 O ATOM 2291 CB ASP A 143 16.961 -5.859 10.623 1.00 0.37 C ATOM 2292 CG ASP A 143 17.236 -4.935 11.793 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.553 -5.063 12.832 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.130 -4.071 11.674 1.00 0.52 O ATOM 0 H ASP A 143 16.386 -6.981 8.517 1.00 0.29 H new ATOM 0 HA ASP A 143 14.927 -5.249 10.277 1.00 0.31 H new ATOM 0 HB2 ASP A 143 16.686 -6.844 11.001 1.00 0.37 H new ATOM 0 HB3 ASP A 143 17.875 -5.984 10.043 1.00 0.37 H new ATOM 2299 N MET A 144 16.971 -4.000 8.062 1.00 0.29 N ATOM 2300 CA MET A 144 17.397 -2.789 7.384 1.00 0.30 C ATOM 2301 C MET A 144 16.256 -2.195 6.579 1.00 0.24 C ATOM 2302 O MET A 144 16.088 -0.982 6.543 1.00 0.25 O ATOM 2303 CB MET A 144 18.573 -3.097 6.460 1.00 0.35 C ATOM 2304 CG MET A 144 18.884 -1.975 5.475 1.00 0.36 C ATOM 2305 SD MET A 144 20.058 -2.467 4.199 1.00 0.48 S ATOM 2306 CE MET A 144 19.917 -1.090 3.058 1.00 0.43 C ATOM 0 H MET A 144 17.306 -4.859 7.627 1.00 0.29 H new ATOM 0 HA MET A 144 17.707 -2.064 8.136 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.458 -3.294 7.065 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.358 -4.009 5.903 1.00 0.35 H new ATOM 0 HG2 MET A 144 17.958 -1.646 5.003 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.285 -1.120 6.020 1.00 0.36 H new ATOM 0 HE1 MET A 144 20.683 -1.176 2.288 1.00 0.43 H new ATOM 0 HE2 MET A 144 18.931 -1.103 2.593 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.051 -0.154 3.600 1.00 0.43 H new ATOM 2316 N PHE A 145 15.475 -3.064 5.946 1.00 0.21 N ATOM 2317 CA PHE A 145 14.408 -2.640 5.046 1.00 0.17 C ATOM 2318 C PHE A 145 13.482 -1.646 5.731 1.00 0.15 C ATOM 2319 O PHE A 145 13.273 -0.534 5.244 1.00 0.16 O ATOM 2320 CB PHE A 145 13.615 -3.853 4.568 1.00 0.19 C ATOM 2321 CG PHE A 145 12.873 -3.605 3.293 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.535 -3.272 3.304 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.525 -3.697 2.076 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.861 -3.038 2.126 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.855 -3.466 0.897 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.521 -3.136 0.921 1.00 0.29 C ATOM 0 H PHE A 145 15.563 -4.076 6.041 1.00 0.21 H new ATOM 0 HA PHE A 145 14.861 -2.147 4.186 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.296 -4.692 4.427 1.00 0.19 H new ATOM 0 HB3 PHE A 145 12.906 -4.144 5.343 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.011 -3.194 4.245 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.574 -3.954 2.051 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.813 -2.777 2.147 1.00 0.30 H new ATOM 0 HE2 PHE A 145 13.376 -3.544 -0.046 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.992 -2.954 -0.003 1.00 0.29 H new ATOM 2336 N VAL A 146 12.960 -2.044 6.879 1.00 0.15 N ATOM 2337 CA VAL A 146 12.065 -1.191 7.635 1.00 0.14 C ATOM 2338 C VAL A 146 12.768 0.081 8.117 1.00 0.15 C ATOM 2339 O VAL A 146 12.227 1.174 7.998 1.00 0.16 O ATOM 2340 CB VAL A 146 11.427 -1.939 8.829 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.422 -2.879 9.492 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.883 -0.948 9.841 1.00 0.17 C ATOM 0 H VAL A 146 13.142 -2.952 7.306 1.00 0.15 H new ATOM 0 HA VAL A 146 11.265 -0.900 6.954 1.00 0.14 H new ATOM 0 HB VAL A 146 10.604 -2.542 8.445 1.00 0.16 H new ATOM 0 HG11 VAL A 146 11.941 -3.388 10.327 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.765 -3.616 8.766 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.274 -2.307 9.859 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.437 -1.488 10.676 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.695 -0.320 10.208 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.126 -0.323 9.367 1.00 0.17 H new ATOM 2352 N SER A 147 13.974 -0.051 8.633 1.00 0.18 N ATOM 2353 CA SER A 147 14.691 1.101 9.157 1.00 0.21 C ATOM 2354 C SER A 147 15.035 2.092 8.034 1.00 0.21 C ATOM 2355 O SER A 147 15.031 3.308 8.238 1.00 0.24 O ATOM 2356 CB SER A 147 15.947 0.637 9.891 1.00 0.25 C ATOM 2357 OG SER A 147 16.596 1.717 10.540 1.00 0.85 O ATOM 0 H SER A 147 14.477 -0.936 8.702 1.00 0.18 H new ATOM 0 HA SER A 147 14.049 1.624 9.865 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.681 -0.124 10.625 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.633 0.171 9.183 1.00 0.25 H new ATOM 0 HG SER A 147 17.395 1.388 11.002 1.00 0.85 H new ATOM 2363 N ARG A 148 15.320 1.557 6.851 1.00 0.20 N ATOM 2364 CA ARG A 148 15.564 2.365 5.663 1.00 0.21 C ATOM 2365 C ARG A 148 14.305 3.099 5.227 1.00 0.19 C ATOM 2366 O ARG A 148 14.331 4.297 4.967 1.00 0.27 O ATOM 2367 CB ARG A 148 16.035 1.470 4.524 1.00 0.23 C ATOM 2368 CG ARG A 148 17.525 1.203 4.497 1.00 0.29 C ATOM 2369 CD ARG A 148 18.275 2.232 3.663 1.00 0.43 C ATOM 2370 NE ARG A 148 17.893 3.613 3.968 1.00 1.22 N ATOM 2371 CZ ARG A 148 18.709 4.508 4.517 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.933 4.158 4.898 1.00 1.19 N ATOM 2373 NH2 ARG A 148 18.293 5.756 4.682 1.00 2.48 N ATOM 0 H ARG A 148 15.388 0.552 6.690 1.00 0.20 H new ATOM 0 HA ARG A 148 16.330 3.101 5.908 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.511 0.517 4.590 1.00 0.23 H new ATOM 0 HB3 ARG A 148 15.746 1.928 3.578 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.913 1.210 5.516 1.00 0.29 H new ATOM 0 HG3 ARG A 148 17.707 0.207 4.093 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.346 2.113 3.829 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.092 2.036 2.606 1.00 0.43 H new ATOM 0 HE ARG A 148 16.942 3.906 3.745 1.00 1.22 H new ATOM 0 HH11 ARG A 148 20.252 3.198 4.770 1.00 1.19 H new ATOM 0 HH12 ARG A 148 20.554 4.850 5.318 1.00 1.19 H new ATOM 0 HH21 ARG A 148 17.353 6.023 4.389 1.00 2.48 H new ATOM 0 HH22 ARG A 148 18.913 6.449 5.102 1.00 2.48 H new ATOM 2387 N GLY A 149 13.207 2.369 5.134 1.00 0.14 N ATOM 2388 CA GLY A 149 11.966 2.970 4.714 1.00 0.13 C ATOM 2389 C GLY A 149 11.444 3.955 5.732 1.00 0.15 C ATOM 2390 O GLY A 149 10.926 5.005 5.372 1.00 0.17 O ATOM 0 H GLY A 149 13.155 1.372 5.342 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.113 3.477 3.760 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.223 2.190 4.549 1.00 0.13 H new ATOM 2394 N ASN A 150 11.594 3.617 7.005 1.00 0.17 N ATOM 2395 CA ASN A 150 11.123 4.463 8.093 1.00 0.22 C ATOM 2396 C ASN A 150 11.752 5.850 8.026 1.00 0.23 C ATOM 2397 O ASN A 150 11.059 6.853 8.175 1.00 0.26 O ATOM 2398 CB ASN A 150 11.434 3.820 9.446 1.00 0.32 C ATOM 2399 CG ASN A 150 10.805 4.553 10.617 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.397 4.646 11.691 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.586 5.041 10.438 1.00 0.93 N ATOM 0 H ASN A 150 12.043 2.754 7.312 1.00 0.17 H new ATOM 0 HA ASN A 150 10.043 4.568 7.986 1.00 0.22 H new ATOM 0 HB2 ASN A 150 11.081 2.789 9.440 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.515 3.787 9.585 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.108 5.513 11.206 1.00 0.93 H new ATOM 0 HD22 ASN A 150 9.126 4.945 9.533 1.00 0.93 H new ATOM 2408 N THR A 151 13.059 5.910 7.788 1.00 0.23 N ATOM 2409 CA THR A 151 13.744 7.192 7.693 1.00 0.27 C ATOM 2410 C THR A 151 13.361 7.910 6.398 1.00 0.27 C ATOM 2411 O THR A 151 13.347 9.140 6.339 1.00 0.33 O ATOM 2412 CB THR A 151 15.282 7.048 7.810 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.913 8.330 7.726 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.847 6.141 6.731 1.00 0.27 C ATOM 0 H THR A 151 13.658 5.095 7.659 1.00 0.23 H new ATOM 0 HA THR A 151 13.418 7.796 8.540 1.00 0.27 H new ATOM 0 HB THR A 151 15.489 6.598 8.781 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.884 8.222 7.803 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.928 6.066 6.848 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.403 5.150 6.820 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.616 6.555 5.750 1.00 0.27 H new ATOM 2422 N GLU A 152 13.024 7.137 5.370 1.00 0.25 N ATOM 2423 CA GLU A 152 12.486 7.690 4.132 1.00 0.30 C ATOM 2424 C GLU A 152 11.021 8.095 4.324 1.00 0.28 C ATOM 2425 O GLU A 152 10.422 8.767 3.482 1.00 0.30 O ATOM 2426 CB GLU A 152 12.629 6.669 3.007 1.00 0.34 C ATOM 2427 CG GLU A 152 13.918 6.792 2.189 1.00 0.52 C ATOM 2428 CD GLU A 152 15.183 6.980 3.016 1.00 0.63 C ATOM 2429 OE1 GLU A 152 16.029 6.057 3.041 1.00 1.31 O ATOM 2430 OE2 GLU A 152 15.362 8.061 3.612 1.00 0.98 O ATOM 0 H GLU A 152 13.115 6.121 5.371 1.00 0.25 H new ATOM 0 HA GLU A 152 13.049 8.584 3.862 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.581 5.668 3.435 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.777 6.769 2.334 1.00 0.34 H new ATOM 0 HG2 GLU A 152 14.030 5.897 1.577 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.819 7.635 1.505 1.00 0.52 H new ATOM 2437 N GLY A 153 10.471 7.696 5.465 1.00 0.25 N ATOM 2438 CA GLY A 153 9.160 8.142 5.888 1.00 0.25 C ATOM 2439 C GLY A 153 8.074 7.079 5.848 1.00 0.21 C ATOM 2440 O GLY A 153 6.996 7.301 6.406 1.00 0.24 O ATOM 0 H GLY A 153 10.924 7.056 6.117 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.234 8.525 6.906 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.855 8.975 5.255 1.00 0.25 H new ATOM 2444 N ALA A 154 8.311 5.936 5.207 1.00 0.17 N ATOM 2445 CA ALA A 154 7.360 4.827 5.311 1.00 0.16 C ATOM 2446 C ALA A 154 8.035 3.462 5.335 1.00 0.14 C ATOM 2447 O ALA A 154 8.767 3.109 4.408 1.00 0.15 O ATOM 2448 CB ALA A 154 6.357 4.866 4.181 1.00 0.19 C ATOM 0 H ALA A 154 9.129 5.754 4.625 1.00 0.17 H new ATOM 0 HA ALA A 154 6.850 4.962 6.265 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.663 4.032 4.282 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.804 5.805 4.217 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.880 4.790 3.228 1.00 0.19 H new ATOM 2454 N SER A 155 7.752 2.682 6.366 1.00 0.15 N ATOM 2455 CA SER A 155 8.093 1.275 6.366 1.00 0.16 C ATOM 2456 C SER A 155 7.092 0.460 7.167 1.00 0.15 C ATOM 2457 O SER A 155 6.359 0.990 8.008 1.00 0.19 O ATOM 2458 CB SER A 155 9.472 1.069 6.940 1.00 0.23 C ATOM 2459 OG SER A 155 9.593 1.694 8.202 1.00 1.42 O ATOM 0 H SER A 155 7.286 3.004 7.214 1.00 0.15 H new ATOM 0 HA SER A 155 8.070 0.934 5.331 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.674 0.002 7.037 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.219 1.473 6.257 1.00 0.23 H new ATOM 0 HG SER A 155 8.701 1.906 8.549 1.00 1.42 H new ATOM 2465 N ILE A 156 7.068 -0.833 6.894 1.00 0.14 N ATOM 2466 CA ILE A 156 6.181 -1.745 7.572 1.00 0.15 C ATOM 2467 C ILE A 156 6.756 -3.162 7.518 1.00 0.15 C ATOM 2468 O ILE A 156 6.976 -3.718 6.444 1.00 0.17 O ATOM 2469 CB ILE A 156 4.768 -1.675 6.957 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.810 -2.602 7.686 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.798 -2.000 5.468 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.372 -2.215 7.473 1.00 0.28 C ATOM 0 H ILE A 156 7.665 -1.274 6.195 1.00 0.14 H new ATOM 0 HA ILE A 156 6.094 -1.458 8.620 1.00 0.15 H new ATOM 0 HB ILE A 156 4.409 -0.652 7.073 1.00 0.18 H new ATOM 0 HG12 ILE A 156 3.964 -3.625 7.342 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.034 -2.588 8.753 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.788 -1.943 5.063 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.437 -1.284 4.952 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.190 -3.007 5.323 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.725 -2.906 8.013 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.209 -1.202 7.842 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.138 -2.256 6.409 1.00 0.28 H new ATOM 2484 N SER A 157 7.034 -3.730 8.675 1.00 0.16 N ATOM 2485 CA SER A 157 7.705 -5.017 8.738 1.00 0.19 C ATOM 2486 C SER A 157 6.868 -6.049 9.483 1.00 0.20 C ATOM 2487 O SER A 157 6.133 -5.708 10.412 1.00 0.34 O ATOM 2488 CB SER A 157 9.074 -4.849 9.403 1.00 0.34 C ATOM 2489 OG SER A 157 8.963 -4.135 10.623 1.00 1.44 O ATOM 0 H SER A 157 6.807 -3.324 9.583 1.00 0.16 H new ATOM 0 HA SER A 157 7.841 -5.385 7.721 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.514 -5.829 9.590 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.747 -4.320 8.728 1.00 0.34 H new ATOM 0 HG SER A 157 9.850 -4.042 11.030 1.00 1.44 H new ATOM 2495 N PHE A 158 6.957 -7.301 9.041 1.00 0.20 N ATOM 2496 CA PHE A 158 6.324 -8.413 9.739 1.00 0.32 C ATOM 2497 C PHE A 158 6.892 -8.545 11.146 1.00 0.74 C ATOM 2498 O PHE A 158 6.147 -8.320 12.119 1.00 1.33 O ATOM 2499 CB PHE A 158 6.534 -9.722 8.969 1.00 0.97 C ATOM 2500 CG PHE A 158 5.416 -10.066 8.023 1.00 1.03 C ATOM 2501 CD1 PHE A 158 5.255 -9.384 6.826 1.00 0.97 C ATOM 2502 CD2 PHE A 158 4.527 -11.082 8.334 1.00 1.42 C ATOM 2503 CE1 PHE A 158 4.226 -9.713 5.959 1.00 1.38 C ATOM 2504 CE2 PHE A 158 3.499 -11.413 7.473 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.348 -10.729 6.284 1.00 1.81 C ATOM 2506 OXT PHE A 158 8.098 -8.842 11.273 1.00 1.62 O ATOM 0 H PHE A 158 7.464 -7.570 8.198 1.00 0.20 H new ATOM 0 HA PHE A 158 5.255 -8.212 9.804 1.00 0.32 H new ATOM 0 HB2 PHE A 158 7.464 -9.654 8.405 1.00 0.97 H new ATOM 0 HB3 PHE A 158 6.654 -10.536 9.684 1.00 0.97 H new ATOM 0 HD1 PHE A 158 5.939 -8.589 6.567 1.00 0.97 H new ATOM 0 HD2 PHE A 158 4.639 -11.623 9.262 1.00 1.42 H new ATOM 0 HE1 PHE A 158 4.110 -9.176 5.029 1.00 1.38 H new ATOM 0 HE2 PHE A 158 2.814 -12.207 7.730 1.00 1.81 H new ATOM 0 HZ PHE A 158 2.545 -10.987 5.609 1.00 1.81 H new