USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 53 TYR OH : rot -169:sc= 0.932 USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0574 K(o=0.99,f=-3.4!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.155 USER MOD Set 2.2: A 71 ASN : amide:sc= 1.01 K(o=2.2,f=-2.9) USER MOD Set 2.3: A 74 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0307) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= 1.06 (180deg=-2!) USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.192 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -65:sc= 0.949 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 66 LYS NZ :NH3+ -145:sc= 1.18 (180deg=-0.00714) USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= 0.187 (180deg=0) USER MOD Single : A 76 MET CE :methyl -163:sc= 0 (180deg=-0.542) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= -0.0539 (180deg=-0.301) USER MOD Single : A 79 SER OG : rot 67:sc= 0.881 USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= -1.48 (180deg=-2.45!) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0279 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.382) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0224 F(o=-0.87,f=-0.022) USER MOD Single : A 114 LYS NZ :NH3+ -126:sc= 0.00175 (180deg=-0.0235) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= 0.0894 K(o=0.089,f=-4.5!) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.0276 F(o=-0.54,f=-0.028) USER MOD Single : A 134 SER OG : rot -28:sc= 0.456 USER MOD Single : A 135 LYS NZ :NH3+ -159:sc= 2.35 (180deg=1.59) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -16.358 -3.995 -1.629 1.00 1.02 N ATOM 102 CA GLU A 43 -15.569 -4.768 -0.674 1.00 0.97 C ATOM 103 C GLU A 43 -14.077 -4.698 -1.004 1.00 0.80 C ATOM 104 O GLU A 43 -13.692 -4.696 -2.177 1.00 0.79 O ATOM 105 CB GLU A 43 -16.040 -6.219 -0.690 1.00 1.17 C ATOM 106 CG GLU A 43 -17.522 -6.375 -0.387 1.00 1.78 C ATOM 107 CD GLU A 43 -18.058 -7.732 -0.783 1.00 2.27 C ATOM 108 OE1 GLU A 43 -18.290 -7.951 -1.992 1.00 3.10 O ATOM 109 OE2 GLU A 43 -18.262 -8.578 0.109 1.00 2.15 O ATOM 0 HA GLU A 43 -15.712 -4.344 0.320 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.829 -6.651 -1.668 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -15.465 -6.788 0.041 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -17.689 -6.220 0.679 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -18.080 -5.601 -0.913 1.00 1.78 H new ATOM 116 N TRP A 44 -13.236 -4.644 0.027 1.00 0.71 N ATOM 117 CA TRP A 44 -11.794 -4.587 -0.181 1.00 0.60 C ATOM 118 C TRP A 44 -11.254 -5.995 -0.380 1.00 0.60 C ATOM 119 O TRP A 44 -11.242 -6.803 0.549 1.00 0.64 O ATOM 120 CB TRP A 44 -11.084 -3.905 0.998 1.00 0.57 C ATOM 121 CG TRP A 44 -9.707 -3.410 0.654 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.276 -3.025 -0.578 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.590 -3.226 1.541 1.00 0.44 C ATOM 124 NE1 TRP A 44 -7.969 -2.619 -0.519 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.525 -2.726 0.765 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.381 -3.427 2.908 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.279 -2.428 1.305 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -7.138 -3.128 3.446 1.00 0.49 C ATOM 129 CH2 TRP A 44 -6.101 -2.632 2.642 1.00 0.44 C ATOM 0 H TRP A 44 -13.526 -4.639 1.005 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.598 -3.991 -1.072 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.689 -3.066 1.342 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -11.013 -4.609 1.827 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -9.878 -3.038 -1.474 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.416 -2.289 -1.310 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -9.174 -3.809 3.535 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.479 -2.048 0.687 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.966 -3.280 4.501 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -5.144 -2.408 3.090 1.00 0.44 H new ATOM 140 N VAL A 45 -10.814 -6.284 -1.597 1.00 0.61 N ATOM 141 CA VAL A 45 -10.330 -7.614 -1.952 1.00 0.64 C ATOM 142 C VAL A 45 -9.118 -8.020 -1.105 1.00 0.57 C ATOM 143 O VAL A 45 -8.902 -9.203 -0.842 1.00 0.69 O ATOM 144 CB VAL A 45 -9.984 -7.686 -3.462 1.00 0.72 C ATOM 145 CG1 VAL A 45 -8.869 -6.717 -3.818 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.614 -9.101 -3.881 1.00 1.28 C ATOM 0 H VAL A 45 -10.782 -5.610 -2.362 1.00 0.61 H new ATOM 0 HA VAL A 45 -11.133 -8.321 -1.742 1.00 0.64 H new ATOM 0 HB VAL A 45 -10.878 -7.394 -4.012 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -8.649 -6.791 -4.883 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -9.182 -5.700 -3.582 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -7.975 -6.964 -3.245 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -9.377 -9.115 -4.945 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -8.746 -9.434 -3.312 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -10.453 -9.769 -3.687 1.00 1.28 H new ATOM 156 N VAL A 46 -8.363 -7.028 -0.643 1.00 0.46 N ATOM 157 CA VAL A 46 -7.146 -7.274 0.130 1.00 0.42 C ATOM 158 C VAL A 46 -7.457 -7.468 1.617 1.00 0.38 C ATOM 159 O VAL A 46 -6.607 -7.909 2.389 1.00 0.41 O ATOM 160 CB VAL A 46 -6.155 -6.098 -0.029 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.801 -6.410 0.600 1.00 0.54 C ATOM 162 CG2 VAL A 46 -5.995 -5.740 -1.494 1.00 1.10 C ATOM 0 H VAL A 46 -8.572 -6.041 -0.791 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.697 -8.188 -0.257 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.569 -5.240 0.501 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.133 -5.559 0.467 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.931 -6.606 1.664 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.370 -7.288 0.119 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.295 -4.911 -1.591 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.614 -6.603 -2.040 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -6.962 -5.449 -1.905 1.00 1.10 H new ATOM 172 N GLY A 47 -8.687 -7.159 2.011 1.00 0.40 N ATOM 173 CA GLY A 47 -9.050 -7.190 3.420 1.00 0.47 C ATOM 174 C GLY A 47 -9.027 -8.583 4.022 1.00 0.49 C ATOM 175 O GLY A 47 -9.027 -8.736 5.243 1.00 0.59 O ATOM 0 H GLY A 47 -9.442 -6.887 1.381 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -8.365 -6.551 3.977 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -10.048 -6.768 3.539 1.00 0.47 H new ATOM 179 N LYS A 48 -9.004 -9.599 3.174 1.00 0.49 N ATOM 180 CA LYS A 48 -8.998 -10.977 3.645 1.00 0.61 C ATOM 181 C LYS A 48 -7.578 -11.503 3.817 1.00 0.60 C ATOM 182 O LYS A 48 -7.332 -12.372 4.654 1.00 0.73 O ATOM 183 CB LYS A 48 -9.762 -11.875 2.676 1.00 0.72 C ATOM 184 CG LYS A 48 -9.283 -11.768 1.239 1.00 0.74 C ATOM 185 CD LYS A 48 -9.970 -12.783 0.345 1.00 0.96 C ATOM 186 CE LYS A 48 -11.482 -12.728 0.484 1.00 1.82 C ATOM 187 NZ LYS A 48 -12.039 -11.380 0.190 1.00 2.46 N ATOM 0 H LYS A 48 -8.989 -9.497 2.159 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.489 -10.992 4.618 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.670 -12.910 3.004 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.821 -11.621 2.717 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -9.476 -10.763 0.864 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -8.204 -11.921 1.202 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -9.694 -12.598 -0.693 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.618 -13.784 0.595 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -11.931 -13.457 -0.191 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -11.760 -13.018 1.497 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -13.078 -11.424 0.200 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.714 -10.705 0.911 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -11.715 -11.067 -0.748 1.00 2.46 H new ATOM 201 N ASP A 49 -6.636 -10.967 3.049 1.00 0.48 N ATOM 202 CA ASP A 49 -5.269 -11.477 3.083 1.00 0.50 C ATOM 203 C ASP A 49 -4.435 -10.699 4.089 1.00 0.44 C ATOM 204 O ASP A 49 -3.216 -10.602 3.951 1.00 0.45 O ATOM 205 CB ASP A 49 -4.617 -11.355 1.700 1.00 0.60 C ATOM 206 CG ASP A 49 -5.423 -12.005 0.596 1.00 1.16 C ATOM 207 OD1 ASP A 49 -5.509 -13.249 0.582 1.00 1.52 O ATOM 208 OD2 ASP A 49 -5.981 -11.274 -0.250 1.00 1.66 O ATOM 0 H ASP A 49 -6.789 -10.191 2.404 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.310 -12.526 3.377 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.477 -10.300 1.464 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.627 -11.809 1.732 1.00 0.60 H new ATOM 213 N LYS A 50 -5.073 -10.241 5.155 1.00 0.43 N ATOM 214 CA LYS A 50 -4.396 -9.399 6.132 1.00 0.49 C ATOM 215 C LYS A 50 -3.535 -10.199 7.103 1.00 0.45 C ATOM 216 O LYS A 50 -2.387 -9.849 7.284 1.00 0.45 O ATOM 217 CB LYS A 50 -5.372 -8.501 6.892 1.00 0.70 C ATOM 218 CG LYS A 50 -6.008 -7.433 6.020 1.00 0.72 C ATOM 219 CD LYS A 50 -6.598 -6.294 6.841 1.00 0.90 C ATOM 220 CE LYS A 50 -5.529 -5.323 7.349 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.789 -5.834 8.538 1.00 1.15 N ATOM 0 H LYS A 50 -6.052 -10.436 5.366 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.727 -8.759 5.556 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.157 -9.118 7.330 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -4.846 -8.021 7.717 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -5.261 -7.034 5.334 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.792 -7.883 5.411 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -7.320 -5.749 6.234 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -7.143 -6.707 7.690 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -4.819 -5.122 6.546 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -6.001 -4.374 7.603 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -4.542 -5.039 9.161 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -5.388 -6.507 9.057 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -3.920 -6.313 8.227 1.00 1.15 H new ATOM 235 N PRO A 51 -4.047 -11.281 7.735 1.00 0.49 N ATOM 236 CA PRO A 51 -3.260 -12.072 8.700 1.00 0.58 C ATOM 237 C PRO A 51 -1.822 -12.340 8.242 1.00 0.46 C ATOM 238 O PRO A 51 -0.887 -12.320 9.046 1.00 0.47 O ATOM 239 CB PRO A 51 -4.043 -13.375 8.789 1.00 0.69 C ATOM 240 CG PRO A 51 -5.459 -12.967 8.563 1.00 0.75 C ATOM 241 CD PRO A 51 -5.419 -11.814 7.593 1.00 0.55 C ATOM 0 HA PRO A 51 -3.144 -11.548 9.649 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.710 -14.092 8.038 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -3.916 -13.850 9.762 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -6.042 -13.795 8.159 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.932 -12.671 9.499 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.617 -12.143 6.573 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -6.168 -11.060 7.836 1.00 0.55 H new ATOM 249 N THR A 52 -1.649 -12.567 6.948 1.00 0.38 N ATOM 250 CA THR A 52 -0.332 -12.819 6.380 1.00 0.36 C ATOM 251 C THR A 52 0.529 -11.550 6.348 1.00 0.26 C ATOM 252 O THR A 52 1.699 -11.563 6.751 1.00 0.28 O ATOM 253 CB THR A 52 -0.472 -13.363 4.951 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.864 -13.477 4.616 1.00 0.68 O ATOM 255 CG2 THR A 52 0.196 -14.722 4.815 1.00 0.66 C ATOM 0 H THR A 52 -2.409 -12.582 6.268 1.00 0.38 H new ATOM 0 HA THR A 52 0.161 -13.553 7.018 1.00 0.36 H new ATOM 0 HB THR A 52 0.020 -12.669 4.269 1.00 0.42 H new ATOM 0 HG1 THR A 52 -2.221 -12.592 4.394 1.00 0.68 H new ATOM 0 HG21 THR A 52 0.081 -15.083 3.793 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.256 -14.632 5.051 1.00 0.66 H new ATOM 0 HG23 THR A 52 -0.270 -15.427 5.503 1.00 0.66 H new ATOM 263 N TYR A 53 -0.057 -10.448 5.898 1.00 0.22 N ATOM 264 CA TYR A 53 0.696 -9.211 5.736 1.00 0.23 C ATOM 265 C TYR A 53 0.869 -8.523 7.081 1.00 0.23 C ATOM 266 O TYR A 53 1.789 -7.739 7.268 1.00 0.24 O ATOM 267 CB TYR A 53 -0.002 -8.270 4.752 1.00 0.33 C ATOM 268 CG TYR A 53 -0.332 -8.905 3.413 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.492 -9.875 2.844 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.470 -8.523 2.716 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.184 -10.446 1.620 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.784 -9.089 1.495 1.00 0.62 C ATOM 273 CZ TYR A 53 -0.956 -10.048 0.951 1.00 0.57 C ATOM 274 OH TYR A 53 -1.274 -10.610 -0.268 1.00 0.69 O ATOM 0 H TYR A 53 -1.042 -10.385 5.641 1.00 0.22 H new ATOM 0 HA TYR A 53 1.678 -9.461 5.333 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -0.924 -7.906 5.206 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.635 -7.402 4.583 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.385 -10.186 3.366 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.121 -7.770 3.135 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.831 -11.197 1.192 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.675 -8.781 0.968 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.002 -10.102 -0.682 1.00 0.69 H new ATOM 284 N ASP A 54 -0.015 -8.852 8.013 1.00 0.28 N ATOM 285 CA ASP A 54 0.088 -8.392 9.391 1.00 0.35 C ATOM 286 C ASP A 54 1.255 -9.105 10.055 1.00 0.33 C ATOM 287 O ASP A 54 2.030 -8.505 10.802 1.00 0.35 O ATOM 288 CB ASP A 54 -1.205 -8.685 10.175 1.00 0.51 C ATOM 289 CG ASP A 54 -2.364 -7.749 9.845 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.491 -7.356 8.665 1.00 1.83 O ATOM 291 OD2 ASP A 54 -3.129 -7.370 10.757 1.00 2.18 O ATOM 0 H ASP A 54 -0.825 -9.446 7.835 1.00 0.28 H new ATOM 0 HA ASP A 54 0.246 -7.313 9.391 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.513 -9.711 9.974 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -0.992 -8.619 11.242 1.00 0.51 H new ATOM 296 N GLU A 55 1.374 -10.397 9.748 1.00 0.35 N ATOM 297 CA GLU A 55 2.479 -11.217 10.226 1.00 0.43 C ATOM 298 C GLU A 55 3.805 -10.579 9.836 1.00 0.38 C ATOM 299 O GLU A 55 4.703 -10.414 10.663 1.00 0.46 O ATOM 300 CB GLU A 55 2.375 -12.626 9.627 1.00 0.54 C ATOM 301 CG GLU A 55 3.320 -13.635 10.249 1.00 1.31 C ATOM 302 CD GLU A 55 3.015 -13.875 11.710 1.00 1.54 C ATOM 303 OE1 GLU A 55 1.843 -14.144 12.042 1.00 1.65 O ATOM 304 OE2 GLU A 55 3.945 -13.783 12.534 1.00 2.33 O ATOM 0 H GLU A 55 0.707 -10.900 9.162 1.00 0.35 H new ATOM 0 HA GLU A 55 2.429 -11.288 11.313 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.352 -12.983 9.743 1.00 0.54 H new ATOM 0 HB3 GLU A 55 2.574 -12.570 8.557 1.00 0.54 H new ATOM 0 HG2 GLU A 55 3.252 -14.577 9.705 1.00 1.31 H new ATOM 0 HG3 GLU A 55 4.346 -13.281 10.147 1.00 1.31 H new ATOM 311 N ILE A 56 3.906 -10.199 8.570 1.00 0.32 N ATOM 312 CA ILE A 56 5.107 -9.553 8.055 1.00 0.35 C ATOM 313 C ILE A 56 5.231 -8.125 8.590 1.00 0.32 C ATOM 314 O ILE A 56 6.320 -7.668 8.934 1.00 0.45 O ATOM 315 CB ILE A 56 5.092 -9.538 6.513 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.902 -10.962 5.984 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.379 -8.932 5.970 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.448 -11.018 4.544 1.00 0.64 C ATOM 0 H ILE A 56 3.168 -10.327 7.878 1.00 0.32 H new ATOM 0 HA ILE A 56 5.970 -10.126 8.395 1.00 0.35 H new ATOM 0 HB ILE A 56 4.260 -8.921 6.174 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.842 -11.505 6.081 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.171 -11.477 6.607 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.349 -8.930 4.880 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.480 -7.909 6.332 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.230 -9.522 6.309 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.335 -12.058 4.238 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.492 -10.504 4.444 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.189 -10.532 3.910 1.00 0.64 H new ATOM 330 N PHE A 57 4.102 -7.443 8.691 1.00 0.20 N ATOM 331 CA PHE A 57 4.060 -6.054 9.139 1.00 0.19 C ATOM 332 C PHE A 57 4.712 -5.886 10.513 1.00 0.16 C ATOM 333 O PHE A 57 5.365 -4.878 10.783 1.00 0.15 O ATOM 334 CB PHE A 57 2.602 -5.591 9.191 1.00 0.21 C ATOM 335 CG PHE A 57 2.419 -4.129 9.468 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.813 -3.180 8.543 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.842 -3.708 10.652 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.634 -1.836 8.792 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.663 -2.367 10.907 1.00 0.25 C ATOM 340 CZ PHE A 57 2.061 -1.428 9.976 1.00 0.27 C ATOM 0 H PHE A 57 3.187 -7.833 8.466 1.00 0.20 H new ATOM 0 HA PHE A 57 4.623 -5.444 8.432 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.125 -5.829 8.240 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.081 -6.161 9.961 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.266 -3.495 7.615 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.529 -4.438 11.384 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.943 -1.104 8.060 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.211 -2.049 11.835 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.923 -0.376 10.176 1.00 0.27 H new ATOM 350 N TYR A 58 4.557 -6.889 11.366 1.00 0.19 N ATOM 351 CA TYR A 58 5.055 -6.807 12.731 1.00 0.22 C ATOM 352 C TYR A 58 6.499 -7.294 12.849 1.00 0.26 C ATOM 353 O TYR A 58 7.041 -7.371 13.949 1.00 0.39 O ATOM 354 CB TYR A 58 4.137 -7.583 13.680 1.00 0.26 C ATOM 355 CG TYR A 58 2.894 -6.811 14.074 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.981 -6.397 13.114 1.00 1.04 C ATOM 357 CD2 TYR A 58 2.630 -6.502 15.405 1.00 1.07 C ATOM 358 CE1 TYR A 58 0.843 -5.698 13.466 1.00 1.17 C ATOM 359 CE2 TYR A 58 1.493 -5.805 15.766 1.00 1.17 C ATOM 360 CZ TYR A 58 0.624 -5.380 14.805 1.00 0.83 C ATOM 361 OH TYR A 58 -0.529 -4.709 15.141 1.00 1.05 O ATOM 0 H TYR A 58 4.091 -7.767 11.137 1.00 0.19 H new ATOM 0 HA TYR A 58 5.051 -5.756 13.018 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.840 -8.518 13.204 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.694 -7.846 14.579 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.164 -6.625 12.074 1.00 1.04 H new ATOM 0 HD2 TYR A 58 3.327 -6.813 16.170 1.00 1.07 H new ATOM 0 HE1 TYR A 58 0.130 -5.401 12.711 1.00 1.17 H new ATOM 0 HE2 TYR A 58 1.293 -5.597 16.807 1.00 1.17 H new ATOM 0 HH TYR A 58 -0.548 -4.556 16.109 1.00 1.05 H new ATOM 371 N THR A 59 7.130 -7.608 11.725 1.00 0.25 N ATOM 372 CA THR A 59 8.533 -7.995 11.749 1.00 0.29 C ATOM 373 C THR A 59 9.421 -6.814 11.370 1.00 0.29 C ATOM 374 O THR A 59 10.620 -6.808 11.651 1.00 0.36 O ATOM 375 CB THR A 59 8.834 -9.189 10.819 1.00 0.35 C ATOM 376 OG1 THR A 59 8.539 -8.863 9.457 1.00 0.44 O ATOM 377 CG2 THR A 59 8.035 -10.411 11.236 1.00 0.38 C ATOM 0 H THR A 59 6.701 -7.603 10.800 1.00 0.25 H new ATOM 0 HA THR A 59 8.753 -8.308 12.770 1.00 0.29 H new ATOM 0 HB THR A 59 9.897 -9.415 10.904 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.577 -8.703 9.360 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.263 -11.241 10.567 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.298 -10.686 12.257 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.970 -10.185 11.184 1.00 0.38 H new ATOM 385 N LEU A 60 8.819 -5.800 10.748 1.00 0.26 N ATOM 386 CA LEU A 60 9.555 -4.602 10.346 1.00 0.27 C ATOM 387 C LEU A 60 9.466 -3.521 11.419 1.00 0.30 C ATOM 388 O LEU A 60 9.876 -2.382 11.196 1.00 0.38 O ATOM 389 CB LEU A 60 9.037 -4.045 9.013 1.00 0.29 C ATOM 390 CG LEU A 60 9.504 -4.782 7.749 1.00 0.31 C ATOM 391 CD1 LEU A 60 11.011 -4.988 7.765 1.00 1.37 C ATOM 392 CD2 LEU A 60 8.790 -6.109 7.593 1.00 1.22 C ATOM 0 H LEU A 60 7.827 -5.784 10.512 1.00 0.26 H new ATOM 0 HA LEU A 60 10.597 -4.894 10.219 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.947 -4.058 9.035 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.342 -3.001 8.935 1.00 0.29 H new ATOM 0 HG LEU A 60 9.251 -4.158 6.892 1.00 0.31 H new ATOM 0 HD11 LEU A 60 11.316 -5.512 6.859 1.00 1.37 H new ATOM 0 HD12 LEU A 60 11.510 -4.020 7.810 1.00 1.37 H new ATOM 0 HD13 LEU A 60 11.288 -5.580 8.637 1.00 1.37 H new ATOM 0 HD21 LEU A 60 9.142 -6.607 6.690 1.00 1.22 H new ATOM 0 HD22 LEU A 60 8.998 -6.738 8.459 1.00 1.22 H new ATOM 0 HD23 LEU A 60 7.716 -5.938 7.518 1.00 1.22 H new ATOM 404 N SER A 61 8.932 -3.905 12.579 1.00 0.27 N ATOM 405 CA SER A 61 8.786 -3.006 13.728 1.00 0.30 C ATOM 406 C SER A 61 7.804 -1.866 13.433 1.00 0.28 C ATOM 407 O SER A 61 8.193 -0.791 12.980 1.00 0.36 O ATOM 408 CB SER A 61 10.149 -2.451 14.155 1.00 0.41 C ATOM 409 OG SER A 61 11.076 -3.504 14.379 1.00 1.24 O ATOM 0 H SER A 61 8.587 -4.850 12.750 1.00 0.27 H new ATOM 0 HA SER A 61 8.374 -3.588 14.552 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.532 -1.782 13.384 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.037 -1.860 15.064 1.00 0.41 H new ATOM 0 HG SER A 61 11.940 -3.128 14.649 1.00 1.24 H new ATOM 415 N PRO A 62 6.506 -2.105 13.674 1.00 0.24 N ATOM 416 CA PRO A 62 5.463 -1.121 13.419 1.00 0.29 C ATOM 417 C PRO A 62 5.197 -0.196 14.608 1.00 0.32 C ATOM 418 O PRO A 62 5.176 -0.630 15.762 1.00 0.47 O ATOM 419 CB PRO A 62 4.251 -2.000 13.139 1.00 0.35 C ATOM 420 CG PRO A 62 4.462 -3.235 13.957 1.00 0.33 C ATOM 421 CD PRO A 62 5.950 -3.362 14.200 1.00 0.23 C ATOM 0 HA PRO A 62 5.729 -0.440 12.611 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.326 -1.496 13.419 1.00 0.35 H new ATOM 0 HB3 PRO A 62 4.175 -2.239 12.078 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.922 -3.168 14.902 1.00 0.33 H new ATOM 0 HG3 PRO A 62 4.081 -4.112 13.434 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.172 -3.484 15.260 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.366 -4.228 13.686 1.00 0.23 H new ATOM 429 N VAL A 63 4.989 1.080 14.314 1.00 0.29 N ATOM 430 CA VAL A 63 4.645 2.064 15.332 1.00 0.36 C ATOM 431 C VAL A 63 3.224 2.581 15.110 1.00 0.37 C ATOM 432 O VAL A 63 2.913 3.143 14.061 1.00 0.38 O ATOM 433 CB VAL A 63 5.649 3.247 15.367 1.00 0.47 C ATOM 434 CG1 VAL A 63 6.991 2.785 15.916 1.00 1.02 C ATOM 435 CG2 VAL A 63 5.830 3.865 13.985 1.00 1.02 C ATOM 0 H VAL A 63 5.053 1.461 13.370 1.00 0.29 H new ATOM 0 HA VAL A 63 4.700 1.564 16.299 1.00 0.36 H new ATOM 0 HB VAL A 63 5.239 4.013 16.026 1.00 0.47 H new ATOM 0 HG11 VAL A 63 7.685 3.625 15.935 1.00 1.02 H new ATOM 0 HG12 VAL A 63 6.858 2.402 16.928 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.393 1.997 15.279 1.00 1.02 H new ATOM 0 HG21 VAL A 63 6.539 4.690 14.046 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.209 3.110 13.296 1.00 1.02 H new ATOM 0 HG23 VAL A 63 4.871 4.237 13.624 1.00 1.02 H new ATOM 445 N ASN A 64 2.360 2.340 16.091 1.00 0.44 N ATOM 446 CA ASN A 64 0.950 2.733 16.020 1.00 0.52 C ATOM 447 C ASN A 64 0.243 2.010 14.881 1.00 0.44 C ATOM 448 O ASN A 64 -0.788 2.466 14.386 1.00 0.50 O ATOM 449 CB ASN A 64 0.791 4.250 15.824 1.00 0.64 C ATOM 450 CG ASN A 64 1.266 5.062 17.014 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.242 4.590 18.150 1.00 1.34 O ATOM 452 ND2 ASN A 64 1.668 6.303 16.766 1.00 1.31 N ATOM 0 H ASN A 64 2.614 1.867 16.959 1.00 0.44 H new ATOM 0 HA ASN A 64 0.496 2.453 16.971 1.00 0.52 H new ATOM 0 HB2 ASN A 64 1.349 4.555 14.939 1.00 0.64 H new ATOM 0 HB3 ASN A 64 -0.258 4.477 15.634 1.00 0.64 H new ATOM 0 HD21 ASN A 64 1.972 6.903 17.532 1.00 1.31 H new ATOM 0 HD22 ASN A 64 1.673 6.656 15.809 1.00 1.31 H new ATOM 459 N GLY A 65 0.789 0.870 14.481 1.00 0.40 N ATOM 460 CA GLY A 65 0.229 0.132 13.368 1.00 0.43 C ATOM 461 C GLY A 65 0.621 0.733 12.034 1.00 0.33 C ATOM 462 O GLY A 65 -0.086 0.571 11.041 1.00 0.35 O ATOM 0 H GLY A 65 1.611 0.443 14.908 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.567 -0.903 13.413 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.858 0.116 13.453 1.00 0.43 H new ATOM 466 N LYS A 66 1.742 1.443 12.024 1.00 0.28 N ATOM 467 CA LYS A 66 2.279 2.053 10.813 1.00 0.26 C ATOM 468 C LYS A 66 3.789 1.824 10.755 1.00 0.23 C ATOM 469 O LYS A 66 4.462 1.881 11.785 1.00 0.27 O ATOM 470 CB LYS A 66 1.999 3.562 10.810 1.00 0.34 C ATOM 471 CG LYS A 66 0.538 3.923 11.006 1.00 0.64 C ATOM 472 CD LYS A 66 0.362 5.409 11.283 1.00 0.75 C ATOM 473 CE LYS A 66 0.687 6.264 10.067 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.429 6.296 9.086 1.00 1.48 N ATOM 0 H LYS A 66 2.306 1.613 12.857 1.00 0.28 H new ATOM 0 HA LYS A 66 1.800 1.598 9.946 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.587 4.031 11.599 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.342 3.982 9.865 1.00 0.34 H new ATOM 0 HG2 LYS A 66 -0.028 3.648 10.116 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.128 3.346 11.835 1.00 0.64 H new ATOM 0 HD2 LYS A 66 -0.665 5.599 11.595 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.006 5.701 12.113 1.00 0.75 H new ATOM 0 HE2 LYS A 66 0.913 7.280 10.390 1.00 1.05 H new ATOM 0 HE3 LYS A 66 1.583 5.877 9.582 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -0.042 6.334 8.121 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -1.010 5.440 9.193 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -1.017 7.137 9.256 1.00 1.48 H new ATOM 488 N ILE A 67 4.323 1.549 9.578 1.00 0.25 N ATOM 489 CA ILE A 67 5.768 1.420 9.430 1.00 0.27 C ATOM 490 C ILE A 67 6.314 2.512 8.526 1.00 0.26 C ATOM 491 O ILE A 67 5.573 3.115 7.741 1.00 0.29 O ATOM 492 CB ILE A 67 6.215 0.049 8.874 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.669 -0.182 7.460 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.797 -1.073 9.814 1.00 0.33 C ATOM 495 CD1 ILE A 67 6.303 -1.367 6.769 1.00 0.64 C ATOM 0 H ILE A 67 3.789 1.412 8.720 1.00 0.25 H new ATOM 0 HA ILE A 67 6.172 1.514 10.438 1.00 0.27 H new ATOM 0 HB ILE A 67 7.303 0.050 8.809 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.591 -0.333 7.513 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.836 0.713 6.861 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.121 -2.030 9.405 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.258 -0.921 10.790 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.712 -1.073 9.921 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.875 -1.479 5.773 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.378 -1.208 6.687 1.00 0.64 H new ATOM 0 HD13 ILE A 67 6.113 -2.270 7.349 1.00 0.64 H new ATOM 507 N THR A 68 7.611 2.755 8.639 1.00 0.32 N ATOM 508 CA THR A 68 8.278 3.767 7.844 1.00 0.36 C ATOM 509 C THR A 68 8.562 3.253 6.439 1.00 0.33 C ATOM 510 O THR A 68 8.606 2.039 6.206 1.00 0.33 O ATOM 511 CB THR A 68 9.598 4.202 8.513 1.00 0.45 C ATOM 512 OG1 THR A 68 10.374 3.043 8.861 1.00 0.55 O ATOM 513 CG2 THR A 68 9.328 5.030 9.761 1.00 0.50 C ATOM 0 H THR A 68 8.226 2.257 9.282 1.00 0.32 H new ATOM 0 HA THR A 68 7.613 4.628 7.776 1.00 0.36 H new ATOM 0 HB THR A 68 10.154 4.816 7.804 1.00 0.45 H new ATOM 0 HG1 THR A 68 11.212 3.325 9.284 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.275 5.324 10.214 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.762 5.922 9.491 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.753 4.438 10.473 1.00 0.50 H new ATOM 521 N GLY A 69 8.761 4.178 5.505 1.00 0.37 N ATOM 522 CA GLY A 69 9.048 3.803 4.137 1.00 0.41 C ATOM 523 C GLY A 69 10.370 3.079 4.003 1.00 0.35 C ATOM 524 O GLY A 69 10.606 2.405 3.012 1.00 0.37 O ATOM 0 H GLY A 69 8.728 5.183 5.675 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.248 3.165 3.762 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.061 4.697 3.513 1.00 0.41 H new ATOM 528 N ALA A 70 11.222 3.213 5.014 1.00 0.33 N ATOM 529 CA ALA A 70 12.530 2.566 5.017 1.00 0.33 C ATOM 530 C ALA A 70 12.399 1.046 4.983 1.00 0.31 C ATOM 531 O ALA A 70 13.071 0.368 4.207 1.00 0.34 O ATOM 532 CB ALA A 70 13.321 3.005 6.239 1.00 0.38 C ATOM 0 H ALA A 70 11.028 3.768 5.848 1.00 0.33 H new ATOM 0 HA ALA A 70 13.064 2.871 4.117 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.296 2.518 6.235 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.455 4.087 6.216 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.780 2.725 7.143 1.00 0.38 H new ATOM 538 N ASN A 71 11.507 0.517 5.807 1.00 0.33 N ATOM 539 CA ASN A 71 11.341 -0.926 5.923 1.00 0.36 C ATOM 540 C ASN A 71 10.507 -1.463 4.772 1.00 0.32 C ATOM 541 O ASN A 71 10.755 -2.563 4.267 1.00 0.32 O ATOM 542 CB ASN A 71 10.725 -1.281 7.277 1.00 0.46 C ATOM 543 CG ASN A 71 11.669 -0.933 8.414 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.513 -1.741 8.804 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.541 0.274 8.953 1.00 0.61 N ATOM 0 H ASN A 71 10.887 1.064 6.405 1.00 0.33 H new ATOM 0 HA ASN A 71 12.321 -1.400 5.867 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.784 -0.745 7.404 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.492 -2.345 7.306 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.154 0.559 9.717 1.00 0.61 H new ATOM 0 HD22 ASN A 71 10.830 0.916 8.603 1.00 0.61 H new ATOM 552 N ALA A 72 9.538 -0.669 4.335 1.00 0.32 N ATOM 553 CA ALA A 72 8.772 -1.004 3.148 1.00 0.33 C ATOM 554 C ALA A 72 9.706 -1.068 1.945 1.00 0.30 C ATOM 555 O ALA A 72 9.586 -1.946 1.093 1.00 0.32 O ATOM 556 CB ALA A 72 7.674 0.018 2.917 1.00 0.39 C ATOM 0 H ALA A 72 9.267 0.206 4.784 1.00 0.32 H new ATOM 0 HA ALA A 72 8.301 -1.977 3.288 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.110 -0.249 2.023 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.005 0.033 3.777 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.117 1.005 2.785 1.00 0.39 H new ATOM 562 N LYS A 73 10.649 -0.128 1.915 1.00 0.29 N ATOM 563 CA LYS A 73 11.688 -0.069 0.893 1.00 0.30 C ATOM 564 C LYS A 73 12.488 -1.365 0.883 1.00 0.26 C ATOM 565 O LYS A 73 12.760 -1.930 -0.176 1.00 0.27 O ATOM 566 CB LYS A 73 12.608 1.121 1.186 1.00 0.36 C ATOM 567 CG LYS A 73 13.531 1.537 0.055 1.00 0.47 C ATOM 568 CD LYS A 73 14.309 2.777 0.457 1.00 0.67 C ATOM 569 CE LYS A 73 15.058 3.404 -0.709 1.00 0.84 C ATOM 570 NZ LYS A 73 15.693 4.690 -0.314 1.00 0.76 N ATOM 0 H LYS A 73 10.712 0.620 2.606 1.00 0.29 H new ATOM 0 HA LYS A 73 11.230 0.058 -0.088 1.00 0.30 H new ATOM 0 HB2 LYS A 73 11.989 1.976 1.458 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.217 0.879 2.057 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.219 0.726 -0.182 1.00 0.47 H new ATOM 0 HG3 LYS A 73 12.951 1.737 -0.846 1.00 0.47 H new ATOM 0 HD2 LYS A 73 13.622 3.511 0.879 1.00 0.67 H new ATOM 0 HD3 LYS A 73 15.019 2.517 1.242 1.00 0.67 H new ATOM 0 HE2 LYS A 73 15.822 2.714 -1.067 1.00 0.84 H new ATOM 0 HE3 LYS A 73 14.370 3.575 -1.537 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 16.628 4.767 -0.762 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 15.094 5.482 -0.623 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 15.801 4.721 0.720 1.00 0.76 H new ATOM 584 N LYS A 74 12.838 -1.837 2.077 1.00 0.26 N ATOM 585 CA LYS A 74 13.583 -3.085 2.225 1.00 0.29 C ATOM 586 C LYS A 74 12.855 -4.237 1.545 1.00 0.29 C ATOM 587 O LYS A 74 13.424 -4.920 0.695 1.00 0.35 O ATOM 588 CB LYS A 74 13.786 -3.429 3.702 1.00 0.34 C ATOM 589 CG LYS A 74 14.577 -2.396 4.483 1.00 1.03 C ATOM 590 CD LYS A 74 14.668 -2.778 5.952 1.00 1.05 C ATOM 591 CE LYS A 74 15.311 -1.678 6.778 1.00 1.63 C ATOM 592 NZ LYS A 74 15.311 -1.999 8.234 1.00 1.95 N ATOM 0 H LYS A 74 12.617 -1.373 2.958 1.00 0.26 H new ATOM 0 HA LYS A 74 14.554 -2.941 1.751 1.00 0.29 H new ATOM 0 HB2 LYS A 74 12.810 -3.552 4.171 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.297 -4.389 3.772 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.579 -2.307 4.064 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.103 -1.419 4.386 1.00 1.03 H new ATOM 0 HD2 LYS A 74 13.670 -2.986 6.337 1.00 1.05 H new ATOM 0 HD3 LYS A 74 15.247 -3.696 6.054 1.00 1.05 H new ATOM 0 HE2 LYS A 74 16.336 -1.524 6.441 1.00 1.63 H new ATOM 0 HE3 LYS A 74 14.777 -0.742 6.613 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 15.917 -1.321 8.739 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 14.341 -1.938 8.603 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 15.675 -2.963 8.377 1.00 1.95 H new ATOM 606 N GLU A 75 11.596 -4.442 1.912 1.00 0.31 N ATOM 607 CA GLU A 75 10.825 -5.561 1.374 1.00 0.35 C ATOM 608 C GLU A 75 10.618 -5.414 -0.136 1.00 0.32 C ATOM 609 O GLU A 75 10.708 -6.391 -0.893 1.00 0.35 O ATOM 610 CB GLU A 75 9.471 -5.676 2.086 1.00 0.41 C ATOM 611 CG GLU A 75 8.698 -6.942 1.731 1.00 0.59 C ATOM 612 CD GLU A 75 9.395 -8.216 2.186 1.00 0.93 C ATOM 613 OE1 GLU A 75 10.612 -8.179 2.470 1.00 1.60 O ATOM 614 OE2 GLU A 75 8.728 -9.272 2.255 1.00 1.09 O ATOM 0 H GLU A 75 11.089 -3.855 2.574 1.00 0.31 H new ATOM 0 HA GLU A 75 11.394 -6.474 1.553 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.634 -5.650 3.163 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.863 -4.807 1.834 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.708 -6.895 2.185 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.552 -6.981 0.651 1.00 0.59 H new ATOM 621 N MET A 76 10.358 -4.188 -0.568 1.00 0.29 N ATOM 622 CA MET A 76 10.147 -3.898 -1.982 1.00 0.30 C ATOM 623 C MET A 76 11.343 -4.331 -2.822 1.00 0.30 C ATOM 624 O MET A 76 11.182 -4.994 -3.846 1.00 0.38 O ATOM 625 CB MET A 76 9.882 -2.409 -2.193 1.00 0.39 C ATOM 626 CG MET A 76 8.489 -1.961 -1.785 1.00 0.56 C ATOM 627 SD MET A 76 7.185 -2.680 -2.801 1.00 1.04 S ATOM 628 CE MET A 76 5.766 -1.767 -2.205 1.00 1.24 C ATOM 0 H MET A 76 10.288 -3.374 0.042 1.00 0.29 H new ATOM 0 HA MET A 76 9.275 -4.466 -2.305 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.616 -1.837 -1.626 1.00 0.39 H new ATOM 0 HB3 MET A 76 10.035 -2.170 -3.245 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.319 -2.230 -0.743 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.431 -0.874 -1.847 1.00 0.56 H new ATOM 0 HE1 MET A 76 4.852 -2.283 -2.498 1.00 1.24 H new ATOM 0 HE2 MET A 76 5.810 -1.695 -1.118 1.00 1.24 H new ATOM 0 HE3 MET A 76 5.771 -0.765 -2.635 1.00 1.24 H new ATOM 638 N VAL A 77 12.544 -3.979 -2.376 1.00 0.29 N ATOM 639 CA VAL A 77 13.742 -4.323 -3.118 1.00 0.35 C ATOM 640 C VAL A 77 14.076 -5.810 -2.980 1.00 0.33 C ATOM 641 O VAL A 77 14.823 -6.360 -3.791 1.00 0.37 O ATOM 642 CB VAL A 77 14.953 -3.461 -2.698 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.656 -1.983 -2.893 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.366 -3.738 -1.267 1.00 1.14 C ATOM 0 H VAL A 77 12.709 -3.461 -1.513 1.00 0.29 H new ATOM 0 HA VAL A 77 13.530 -4.111 -4.166 1.00 0.35 H new ATOM 0 HB VAL A 77 15.789 -3.735 -3.342 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.523 -1.395 -2.591 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.436 -1.792 -3.943 1.00 1.57 H new ATOM 0 HG13 VAL A 77 13.796 -1.701 -2.285 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.221 -3.113 -1.008 1.00 1.14 H new ATOM 0 HG22 VAL A 77 14.535 -3.512 -0.598 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.640 -4.788 -1.164 1.00 1.14 H new ATOM 654 N LYS A 78 13.509 -6.472 -1.967 1.00 0.36 N ATOM 655 CA LYS A 78 13.669 -7.919 -1.825 1.00 0.45 C ATOM 656 C LYS A 78 12.773 -8.634 -2.830 1.00 0.42 C ATOM 657 O LYS A 78 12.994 -9.795 -3.169 1.00 0.47 O ATOM 658 CB LYS A 78 13.306 -8.391 -0.413 1.00 0.61 C ATOM 659 CG LYS A 78 14.117 -7.757 0.703 1.00 0.71 C ATOM 660 CD LYS A 78 15.607 -8.005 0.560 1.00 1.25 C ATOM 661 CE LYS A 78 16.361 -7.461 1.763 1.00 1.79 C ATOM 662 NZ LYS A 78 16.058 -6.027 2.011 1.00 2.79 N ATOM 0 H LYS A 78 12.942 -6.034 -1.242 1.00 0.36 H new ATOM 0 HA LYS A 78 14.716 -8.157 -2.010 1.00 0.45 H new ATOM 0 HB2 LYS A 78 12.250 -8.185 -0.237 1.00 0.61 H new ATOM 0 HB3 LYS A 78 13.432 -9.473 -0.364 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.932 -6.683 0.716 1.00 0.71 H new ATOM 0 HG3 LYS A 78 13.778 -8.151 1.661 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.795 -9.074 0.460 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.974 -7.531 -0.350 1.00 1.25 H new ATOM 0 HE2 LYS A 78 16.102 -8.044 2.647 1.00 1.79 H new ATOM 0 HE3 LYS A 78 17.432 -7.582 1.604 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 16.735 -5.644 2.701 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 16.135 -5.497 1.120 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 15.092 -5.936 2.386 1.00 2.79 H new ATOM 676 N SER A 79 11.756 -7.921 -3.297 1.00 0.40 N ATOM 677 CA SER A 79 10.790 -8.477 -4.233 1.00 0.43 C ATOM 678 C SER A 79 11.332 -8.488 -5.670 1.00 0.38 C ATOM 679 O SER A 79 10.628 -8.883 -6.600 1.00 0.44 O ATOM 680 CB SER A 79 9.494 -7.676 -4.161 1.00 0.54 C ATOM 681 OG SER A 79 9.036 -7.584 -2.818 1.00 1.27 O ATOM 0 H SER A 79 11.579 -6.950 -3.040 1.00 0.40 H new ATOM 0 HA SER A 79 10.598 -9.512 -3.951 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.655 -6.677 -4.565 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.732 -8.151 -4.779 1.00 0.54 H new ATOM 0 HG SER A 79 9.662 -7.040 -2.296 1.00 1.27 H new ATOM 687 N LYS A 80 12.585 -8.043 -5.831 1.00 0.39 N ATOM 688 CA LYS A 80 13.292 -8.075 -7.120 1.00 0.42 C ATOM 689 C LYS A 80 12.653 -7.147 -8.152 1.00 0.35 C ATOM 690 O LYS A 80 12.844 -7.318 -9.363 1.00 0.45 O ATOM 691 CB LYS A 80 13.356 -9.504 -7.674 1.00 0.54 C ATOM 692 CG LYS A 80 13.998 -10.503 -6.722 1.00 0.85 C ATOM 693 CD LYS A 80 14.090 -11.897 -7.332 1.00 1.32 C ATOM 694 CE LYS A 80 15.324 -12.069 -8.212 1.00 2.10 C ATOM 695 NZ LYS A 80 15.327 -11.163 -9.393 1.00 2.97 N ATOM 0 H LYS A 80 13.139 -7.650 -5.070 1.00 0.39 H new ATOM 0 HA LYS A 80 14.304 -7.718 -6.931 1.00 0.42 H new ATOM 0 HB2 LYS A 80 12.346 -9.838 -7.909 1.00 0.54 H new ATOM 0 HB3 LYS A 80 13.915 -9.496 -8.610 1.00 0.54 H new ATOM 0 HG2 LYS A 80 14.997 -10.158 -6.454 1.00 0.85 H new ATOM 0 HG3 LYS A 80 13.419 -10.549 -5.800 1.00 0.85 H new ATOM 0 HD2 LYS A 80 14.111 -12.639 -6.534 1.00 1.32 H new ATOM 0 HD3 LYS A 80 13.196 -12.091 -7.924 1.00 1.32 H new ATOM 0 HE2 LYS A 80 16.217 -11.883 -7.616 1.00 2.10 H new ATOM 0 HE3 LYS A 80 15.379 -13.103 -8.554 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 15.882 -11.594 -10.160 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 14.350 -11.010 -9.716 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 15.751 -10.251 -9.130 1.00 2.97 H new ATOM 709 N LEU A 81 11.916 -6.153 -7.678 1.00 0.31 N ATOM 710 CA LEU A 81 11.287 -5.181 -8.558 1.00 0.30 C ATOM 711 C LEU A 81 12.170 -3.942 -8.684 1.00 0.30 C ATOM 712 O LEU A 81 12.880 -3.585 -7.745 1.00 0.41 O ATOM 713 CB LEU A 81 9.902 -4.803 -8.023 1.00 0.37 C ATOM 714 CG LEU A 81 8.903 -5.959 -7.910 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.596 -5.484 -7.294 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.649 -6.579 -9.275 1.00 0.47 C ATOM 0 H LEU A 81 11.739 -5.999 -6.685 1.00 0.31 H new ATOM 0 HA LEU A 81 11.166 -5.623 -9.547 1.00 0.30 H new ATOM 0 HB2 LEU A 81 10.022 -4.352 -7.038 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.476 -4.039 -8.674 1.00 0.37 H new ATOM 0 HG LEU A 81 9.334 -6.718 -7.258 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.902 -6.321 -7.223 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.787 -5.086 -6.297 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.161 -4.704 -7.919 1.00 0.52 H new ATOM 0 HD21 LEU A 81 7.937 -7.398 -9.176 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.242 -5.824 -9.947 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.586 -6.960 -9.682 1.00 0.47 H new ATOM 728 N PRO A 82 12.160 -3.286 -9.851 1.00 0.28 N ATOM 729 CA PRO A 82 12.982 -2.106 -10.088 1.00 0.34 C ATOM 730 C PRO A 82 12.453 -0.876 -9.349 1.00 0.33 C ATOM 731 O PRO A 82 11.259 -0.791 -9.047 1.00 0.27 O ATOM 732 CB PRO A 82 12.922 -1.886 -11.604 1.00 0.43 C ATOM 733 CG PRO A 82 12.004 -2.929 -12.166 1.00 0.44 C ATOM 734 CD PRO A 82 11.345 -3.644 -11.016 1.00 0.37 C ATOM 0 HA PRO A 82 13.998 -2.254 -9.721 1.00 0.34 H new ATOM 0 HB2 PRO A 82 12.555 -0.886 -11.834 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.915 -1.970 -12.045 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.253 -2.469 -12.808 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.562 -3.634 -12.783 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.310 -3.326 -10.890 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.330 -4.722 -11.174 1.00 0.37 H new ATOM 742 N ASN A 83 13.348 0.082 -9.092 1.00 0.44 N ATOM 743 CA ASN A 83 13.022 1.290 -8.327 1.00 0.49 C ATOM 744 C ASN A 83 11.838 2.032 -8.933 1.00 0.42 C ATOM 745 O ASN A 83 10.985 2.555 -8.215 1.00 0.41 O ATOM 746 CB ASN A 83 14.232 2.235 -8.268 1.00 0.64 C ATOM 747 CG ASN A 83 15.417 1.649 -7.517 1.00 1.05 C ATOM 748 OD1 ASN A 83 15.257 0.834 -6.615 1.00 1.85 O ATOM 749 ND2 ASN A 83 16.619 2.076 -7.883 1.00 1.79 N ATOM 0 H ASN A 83 14.317 0.043 -9.407 1.00 0.44 H new ATOM 0 HA ASN A 83 12.756 0.971 -7.319 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.541 2.482 -9.284 1.00 0.64 H new ATOM 0 HB3 ASN A 83 13.933 3.168 -7.790 1.00 0.64 H new ATOM 0 HD21 ASN A 83 17.451 1.725 -7.409 1.00 1.79 H new ATOM 0 HD22 ASN A 83 16.711 2.755 -8.639 1.00 1.79 H new ATOM 756 N THR A 84 11.790 2.072 -10.259 1.00 0.43 N ATOM 757 CA THR A 84 10.698 2.715 -10.971 1.00 0.45 C ATOM 758 C THR A 84 9.351 2.103 -10.583 1.00 0.35 C ATOM 759 O THR A 84 8.417 2.812 -10.199 1.00 0.34 O ATOM 760 CB THR A 84 10.904 2.584 -12.490 1.00 0.59 C ATOM 761 OG1 THR A 84 11.404 1.274 -12.793 1.00 1.47 O ATOM 762 CG2 THR A 84 11.875 3.636 -13.004 1.00 1.27 C ATOM 0 H THR A 84 12.501 1.663 -10.865 1.00 0.43 H new ATOM 0 HA THR A 84 10.693 3.769 -10.694 1.00 0.45 H new ATOM 0 HB THR A 84 9.944 2.738 -12.983 1.00 0.59 H new ATOM 0 HG1 THR A 84 11.534 1.189 -13.761 1.00 1.47 H new ATOM 0 HG21 THR A 84 12.001 3.519 -14.080 1.00 1.27 H new ATOM 0 HG22 THR A 84 11.481 4.630 -12.790 1.00 1.27 H new ATOM 0 HG23 THR A 84 12.839 3.514 -12.510 1.00 1.27 H new ATOM 770 N VAL A 85 9.278 0.781 -10.664 1.00 0.32 N ATOM 771 CA VAL A 85 8.064 0.045 -10.331 1.00 0.32 C ATOM 772 C VAL A 85 7.707 0.225 -8.859 1.00 0.26 C ATOM 773 O VAL A 85 6.539 0.409 -8.512 1.00 0.31 O ATOM 774 CB VAL A 85 8.223 -1.460 -10.650 1.00 0.36 C ATOM 775 CG1 VAL A 85 7.002 -2.249 -10.206 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.474 -1.659 -12.139 1.00 0.45 C ATOM 0 H VAL A 85 10.055 0.190 -10.961 1.00 0.32 H new ATOM 0 HA VAL A 85 7.256 0.448 -10.942 1.00 0.32 H new ATOM 0 HB VAL A 85 9.082 -1.835 -10.094 1.00 0.36 H new ATOM 0 HG11 VAL A 85 7.144 -3.303 -10.444 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.866 -2.135 -9.131 1.00 0.44 H new ATOM 0 HG13 VAL A 85 6.119 -1.876 -10.725 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.584 -2.723 -12.350 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.632 -1.262 -12.706 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.385 -1.135 -12.427 1.00 0.45 H new ATOM 786 N LEU A 86 8.718 0.194 -8.006 1.00 0.24 N ATOM 787 CA LEU A 86 8.520 0.370 -6.574 1.00 0.28 C ATOM 788 C LEU A 86 7.948 1.753 -6.274 1.00 0.24 C ATOM 789 O LEU A 86 7.109 1.908 -5.386 1.00 0.28 O ATOM 790 CB LEU A 86 9.841 0.186 -5.831 1.00 0.37 C ATOM 791 CG LEU A 86 10.516 -1.172 -6.037 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.821 -1.242 -5.259 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.585 -2.298 -5.621 1.00 0.82 C ATOM 0 H LEU A 86 9.689 0.048 -8.281 1.00 0.24 H new ATOM 0 HA LEU A 86 7.810 -0.384 -6.234 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.530 0.969 -6.147 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.664 0.329 -4.765 1.00 0.37 H new ATOM 0 HG LEU A 86 10.742 -1.287 -7.097 1.00 0.51 H new ATOM 0 HD11 LEU A 86 12.287 -2.215 -5.417 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.493 -0.457 -5.605 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.619 -1.105 -4.197 1.00 0.90 H new ATOM 0 HD21 LEU A 86 10.082 -3.256 -5.774 1.00 0.82 H new ATOM 0 HD22 LEU A 86 9.328 -2.187 -4.568 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.677 -2.260 -6.222 1.00 0.82 H new ATOM 805 N GLY A 87 8.403 2.749 -7.024 1.00 0.23 N ATOM 806 CA GLY A 87 7.912 4.102 -6.843 1.00 0.26 C ATOM 807 C GLY A 87 6.470 4.233 -7.272 1.00 0.27 C ATOM 808 O GLY A 87 5.694 4.982 -6.665 1.00 0.32 O ATOM 0 H GLY A 87 9.105 2.644 -7.756 1.00 0.23 H new ATOM 0 HA2 GLY A 87 8.008 4.387 -5.795 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.528 4.793 -7.419 1.00 0.26 H new ATOM 812 N LYS A 88 6.112 3.500 -8.318 1.00 0.27 N ATOM 813 CA LYS A 88 4.738 3.465 -8.784 1.00 0.36 C ATOM 814 C LYS A 88 3.845 2.913 -7.684 1.00 0.33 C ATOM 815 O LYS A 88 2.862 3.542 -7.291 1.00 0.35 O ATOM 816 CB LYS A 88 4.605 2.581 -10.026 1.00 0.50 C ATOM 817 CG LYS A 88 5.542 2.938 -11.167 1.00 0.74 C ATOM 818 CD LYS A 88 5.351 4.367 -11.643 1.00 1.03 C ATOM 819 CE LYS A 88 6.238 4.666 -12.840 1.00 1.50 C ATOM 820 NZ LYS A 88 6.160 6.090 -13.249 1.00 1.89 N ATOM 0 H LYS A 88 6.757 2.923 -8.858 1.00 0.27 H new ATOM 0 HA LYS A 88 4.436 4.480 -9.042 1.00 0.36 H new ATOM 0 HB2 LYS A 88 4.785 1.545 -9.738 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.578 2.638 -10.387 1.00 0.50 H new ATOM 0 HG2 LYS A 88 6.574 2.800 -10.844 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.374 2.255 -11.999 1.00 0.74 H new ATOM 0 HD2 LYS A 88 4.307 4.528 -11.911 1.00 1.03 H new ATOM 0 HD3 LYS A 88 5.583 5.058 -10.833 1.00 1.03 H new ATOM 0 HE2 LYS A 88 7.271 4.415 -12.598 1.00 1.50 H new ATOM 0 HE3 LYS A 88 5.944 4.032 -13.676 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 6.780 6.250 -14.068 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 5.180 6.324 -13.505 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 6.466 6.695 -12.460 1.00 1.89 H new ATOM 834 N ILE A 89 4.225 1.747 -7.173 1.00 0.34 N ATOM 835 CA ILE A 89 3.443 1.062 -6.160 1.00 0.38 C ATOM 836 C ILE A 89 3.344 1.884 -4.878 1.00 0.30 C ATOM 837 O ILE A 89 2.287 1.923 -4.256 1.00 0.31 O ATOM 838 CB ILE A 89 4.015 -0.343 -5.860 1.00 0.49 C ATOM 839 CG1 ILE A 89 3.927 -1.216 -7.118 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.279 -1.000 -4.699 1.00 0.55 C ATOM 841 CD1 ILE A 89 4.365 -2.653 -6.912 1.00 0.71 C ATOM 0 H ILE A 89 5.076 1.257 -7.448 1.00 0.34 H new ATOM 0 HA ILE A 89 2.437 0.940 -6.561 1.00 0.38 H new ATOM 0 HB ILE A 89 5.061 -0.238 -5.570 1.00 0.49 H new ATOM 0 HG12 ILE A 89 2.899 -1.210 -7.479 1.00 0.59 H new ATOM 0 HG13 ILE A 89 4.542 -0.770 -7.900 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.703 -1.986 -4.511 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.384 -0.384 -3.806 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.223 -1.101 -4.948 1.00 0.55 H new ATOM 0 HD11 ILE A 89 4.271 -3.200 -7.850 1.00 0.71 H new ATOM 0 HD12 ILE A 89 5.404 -2.673 -6.582 1.00 0.71 H new ATOM 0 HD13 ILE A 89 3.735 -3.120 -6.155 1.00 0.71 H new ATOM 853 N TRP A 90 4.425 2.555 -4.485 1.00 0.27 N ATOM 854 CA TRP A 90 4.382 3.411 -3.302 1.00 0.23 C ATOM 855 C TRP A 90 3.360 4.528 -3.481 1.00 0.26 C ATOM 856 O TRP A 90 2.555 4.799 -2.588 1.00 0.29 O ATOM 857 CB TRP A 90 5.756 4.015 -3.000 1.00 0.25 C ATOM 858 CG TRP A 90 5.744 4.919 -1.801 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.591 6.276 -1.802 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.868 4.530 -0.429 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.612 6.754 -0.514 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.777 5.703 0.347 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.043 3.306 0.223 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.860 5.685 1.736 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.125 3.292 1.602 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.027 4.473 2.347 1.00 0.33 C ATOM 0 H TRP A 90 5.327 2.524 -4.960 1.00 0.27 H new ATOM 0 HA TRP A 90 4.086 2.786 -2.459 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.473 3.211 -2.836 1.00 0.25 H new ATOM 0 HB3 TRP A 90 6.100 4.576 -3.869 1.00 0.25 H new ATOM 0 HD1 TRP A 90 5.471 6.885 -2.686 1.00 0.29 H new ATOM 0 HE1 TRP A 90 5.520 7.733 -0.243 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.113 2.388 -0.341 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.795 6.597 2.311 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.267 2.352 2.115 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.084 4.426 3.424 1.00 0.33 H new ATOM 877 N LYS A 91 3.385 5.168 -4.646 1.00 0.30 N ATOM 878 CA LYS A 91 2.494 6.291 -4.908 1.00 0.41 C ATOM 879 C LYS A 91 1.035 5.830 -4.957 1.00 0.41 C ATOM 880 O LYS A 91 0.124 6.617 -4.700 1.00 0.47 O ATOM 881 CB LYS A 91 2.883 7.000 -6.215 1.00 0.58 C ATOM 882 CG LYS A 91 2.065 8.256 -6.495 1.00 0.90 C ATOM 883 CD LYS A 91 2.593 9.046 -7.687 1.00 1.49 C ATOM 884 CE LYS A 91 2.505 8.256 -8.984 1.00 2.16 C ATOM 885 NZ LYS A 91 2.822 9.103 -10.166 1.00 2.70 N ATOM 0 H LYS A 91 4.008 4.930 -5.418 1.00 0.30 H new ATOM 0 HA LYS A 91 2.597 7.003 -4.089 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.939 7.266 -6.174 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.762 6.305 -7.046 1.00 0.58 H new ATOM 0 HG2 LYS A 91 1.028 7.976 -6.680 1.00 0.90 H new ATOM 0 HG3 LYS A 91 2.070 8.893 -5.611 1.00 0.90 H new ATOM 0 HD2 LYS A 91 2.025 9.971 -7.788 1.00 1.49 H new ATOM 0 HD3 LYS A 91 3.630 9.327 -7.504 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.195 7.413 -8.944 1.00 2.16 H new ATOM 0 HE3 LYS A 91 1.502 7.842 -9.091 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 2.752 8.531 -11.032 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 2.148 9.893 -10.218 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 3.788 9.477 -10.076 1.00 2.70 H new ATOM 899 N LEU A 92 0.826 4.554 -5.265 1.00 0.40 N ATOM 900 CA LEU A 92 -0.521 3.992 -5.349 1.00 0.47 C ATOM 901 C LEU A 92 -1.021 3.523 -3.987 1.00 0.46 C ATOM 902 O LEU A 92 -2.104 3.904 -3.553 1.00 0.61 O ATOM 903 CB LEU A 92 -0.549 2.817 -6.326 1.00 0.54 C ATOM 904 CG LEU A 92 -0.188 3.160 -7.769 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.161 1.901 -8.616 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.167 4.178 -8.340 1.00 1.66 C ATOM 0 H LEU A 92 1.572 3.887 -5.461 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.179 4.784 -5.706 1.00 0.47 H new ATOM 0 HB2 LEU A 92 0.140 2.052 -5.968 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -1.547 2.378 -6.313 1.00 0.54 H new ATOM 0 HG LEU A 92 0.807 3.606 -7.783 1.00 0.97 H new ATOM 0 HD11 LEU A 92 0.098 2.159 -9.643 1.00 1.51 H new ATOM 0 HD12 LEU A 92 0.582 1.210 -8.217 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.143 1.429 -8.597 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -0.892 4.409 -9.369 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.176 3.765 -8.317 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.134 5.089 -7.742 1.00 1.66 H new ATOM 918 N ALA A 93 -0.217 2.705 -3.317 1.00 0.37 N ATOM 919 CA ALA A 93 -0.619 2.079 -2.063 1.00 0.42 C ATOM 920 C ALA A 93 -0.834 3.109 -0.964 1.00 0.38 C ATOM 921 O ALA A 93 -1.756 2.983 -0.157 1.00 0.43 O ATOM 922 CB ALA A 93 0.417 1.057 -1.629 1.00 0.47 C ATOM 0 H ALA A 93 0.724 2.459 -3.624 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.570 1.575 -2.235 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.104 0.597 -0.691 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.513 0.288 -2.396 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.378 1.551 -1.488 1.00 0.47 H new ATOM 928 N ASP A 94 0.019 4.124 -0.931 1.00 0.33 N ATOM 929 CA ASP A 94 -0.105 5.180 0.063 1.00 0.35 C ATOM 930 C ASP A 94 -1.151 6.185 -0.394 1.00 0.32 C ATOM 931 O ASP A 94 -0.877 7.070 -1.213 1.00 0.37 O ATOM 932 CB ASP A 94 1.243 5.865 0.308 1.00 0.37 C ATOM 933 CG ASP A 94 1.189 6.872 1.439 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.500 6.607 2.452 1.00 0.46 O ATOM 935 OD2 ASP A 94 1.849 7.923 1.332 1.00 0.79 O ATOM 0 H ASP A 94 0.800 4.238 -1.577 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.424 4.741 1.008 1.00 0.35 H new ATOM 0 HB2 ASP A 94 1.994 5.109 0.536 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.562 6.367 -0.605 1.00 0.37 H new ATOM 940 N VAL A 95 -2.360 6.011 0.119 1.00 0.35 N ATOM 941 CA VAL A 95 -3.518 6.794 -0.298 1.00 0.42 C ATOM 942 C VAL A 95 -3.571 8.137 0.425 1.00 0.50 C ATOM 943 O VAL A 95 -3.949 9.156 -0.155 1.00 0.61 O ATOM 944 CB VAL A 95 -4.834 6.025 -0.030 1.00 0.49 C ATOM 945 CG1 VAL A 95 -6.036 6.801 -0.552 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.780 4.639 -0.653 1.00 0.51 C ATOM 0 H VAL A 95 -2.568 5.320 0.840 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.413 6.970 -1.369 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.947 5.914 1.049 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.948 6.238 -0.351 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -6.089 7.769 -0.053 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.933 6.952 -1.626 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.714 4.114 -0.454 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.637 4.729 -1.730 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.950 4.079 -0.223 1.00 0.51 H new ATOM 956 N ASP A 96 -3.181 8.130 1.687 1.00 0.49 N ATOM 957 CA ASP A 96 -3.249 9.327 2.523 1.00 0.59 C ATOM 958 C ASP A 96 -1.992 10.171 2.377 1.00 0.53 C ATOM 959 O ASP A 96 -1.917 11.282 2.908 1.00 0.67 O ATOM 960 CB ASP A 96 -3.486 8.959 3.993 1.00 0.66 C ATOM 961 CG ASP A 96 -2.738 7.713 4.434 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.632 7.439 3.912 1.00 0.56 O ATOM 963 OD2 ASP A 96 -3.257 6.999 5.306 1.00 0.96 O ATOM 0 H ASP A 96 -2.811 7.307 2.162 1.00 0.49 H new ATOM 0 HA ASP A 96 -4.096 9.921 2.180 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.184 9.796 4.622 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.553 8.808 4.154 1.00 0.66 H new ATOM 968 N LYS A 97 -1.017 9.632 1.646 1.00 0.40 N ATOM 969 CA LYS A 97 0.203 10.356 1.282 1.00 0.43 C ATOM 970 C LYS A 97 0.967 10.794 2.530 1.00 0.37 C ATOM 971 O LYS A 97 1.548 11.876 2.568 1.00 0.54 O ATOM 972 CB LYS A 97 -0.134 11.582 0.417 1.00 0.65 C ATOM 973 CG LYS A 97 -1.243 11.351 -0.609 1.00 0.87 C ATOM 974 CD LYS A 97 -0.961 10.182 -1.541 1.00 1.21 C ATOM 975 CE LYS A 97 0.290 10.397 -2.373 1.00 2.08 C ATOM 976 NZ LYS A 97 0.484 9.298 -3.350 1.00 2.96 N ATOM 0 H LYS A 97 -1.050 8.678 1.288 1.00 0.40 H new ATOM 0 HA LYS A 97 0.835 9.681 0.706 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.428 12.402 1.072 1.00 0.65 H new ATOM 0 HB3 LYS A 97 0.767 11.899 -0.107 1.00 0.65 H new ATOM 0 HG2 LYS A 97 -2.182 11.172 -0.086 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.376 12.256 -1.201 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -0.852 9.270 -0.954 1.00 1.21 H new ATOM 0 HD3 LYS A 97 -1.814 10.034 -2.203 1.00 1.21 H new ATOM 0 HE2 LYS A 97 0.219 11.348 -2.901 1.00 2.08 H new ATOM 0 HE3 LYS A 97 1.159 10.461 -1.718 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 1.498 9.190 -3.554 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 0.115 8.411 -2.952 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 -0.024 9.521 -4.229 1.00 2.96 H new ATOM 990 N ASP A 98 0.987 9.929 3.537 1.00 0.36 N ATOM 991 CA ASP A 98 1.566 10.276 4.830 1.00 0.37 C ATOM 992 C ASP A 98 2.991 9.744 4.969 1.00 0.36 C ATOM 993 O ASP A 98 3.581 9.819 6.048 1.00 0.41 O ATOM 994 CB ASP A 98 0.693 9.721 5.970 1.00 0.42 C ATOM 995 CG ASP A 98 0.700 8.203 6.055 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.667 7.532 4.997 1.00 0.37 O ATOM 997 OD2 ASP A 98 0.706 7.669 7.178 1.00 0.43 O ATOM 0 H ASP A 98 0.609 8.983 3.484 1.00 0.36 H new ATOM 0 HA ASP A 98 1.602 11.364 4.893 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.042 10.132 6.917 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.332 10.065 5.832 1.00 0.42 H new ATOM 1002 N GLY A 99 3.552 9.231 3.874 1.00 0.35 N ATOM 1003 CA GLY A 99 4.917 8.725 3.901 1.00 0.41 C ATOM 1004 C GLY A 99 5.078 7.496 4.781 1.00 0.41 C ATOM 1005 O GLY A 99 6.193 7.021 5.007 1.00 0.44 O ATOM 0 H GLY A 99 3.086 9.157 2.970 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.228 8.481 2.885 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.583 9.511 4.258 1.00 0.41 H new ATOM 1009 N LEU A 100 3.963 6.986 5.274 1.00 0.46 N ATOM 1010 CA LEU A 100 3.958 5.832 6.145 1.00 0.48 C ATOM 1011 C LEU A 100 2.933 4.831 5.655 1.00 0.38 C ATOM 1012 O LEU A 100 1.995 5.187 4.942 1.00 0.40 O ATOM 1013 CB LEU A 100 3.623 6.247 7.579 1.00 0.61 C ATOM 1014 CG LEU A 100 4.647 7.153 8.262 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.098 7.672 9.579 1.00 1.11 C ATOM 1016 CD2 LEU A 100 5.951 6.410 8.501 1.00 0.88 C ATOM 0 H LEU A 100 3.036 7.364 5.079 1.00 0.46 H new ATOM 0 HA LEU A 100 4.949 5.379 6.133 1.00 0.48 H new ATOM 0 HB2 LEU A 100 2.660 6.757 7.575 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.504 5.346 8.180 1.00 0.61 H new ATOM 0 HG LEU A 100 4.845 7.998 7.602 1.00 0.60 H new ATOM 0 HD11 LEU A 100 4.839 8.316 10.054 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.187 8.242 9.394 1.00 1.11 H new ATOM 0 HD13 LEU A 100 3.873 6.832 10.236 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.665 7.075 8.988 1.00 0.88 H new ATOM 0 HD22 LEU A 100 5.766 5.546 9.139 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.359 6.076 7.547 1.00 0.88 H new ATOM 1028 N LEU A 101 3.111 3.583 6.028 1.00 0.35 N ATOM 1029 CA LEU A 101 2.158 2.559 5.658 1.00 0.31 C ATOM 1030 C LEU A 101 1.496 1.980 6.892 1.00 0.34 C ATOM 1031 O LEU A 101 2.163 1.386 7.739 1.00 0.42 O ATOM 1032 CB LEU A 101 2.835 1.444 4.861 1.00 0.33 C ATOM 1033 CG LEU A 101 3.452 1.867 3.528 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.047 0.667 2.812 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.419 2.548 2.646 1.00 0.30 C ATOM 0 H LEU A 101 3.901 3.254 6.583 1.00 0.35 H new ATOM 0 HA LEU A 101 1.397 3.021 5.030 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.617 1.003 5.479 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.101 0.661 4.669 1.00 0.33 H new ATOM 0 HG LEU A 101 4.250 2.580 3.735 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.482 0.987 1.865 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.822 0.220 3.434 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.265 -0.068 2.622 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.881 2.840 1.703 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.598 1.859 2.449 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.036 3.434 3.152 1.00 0.30 H new ATOM 1047 N ASP A 102 0.189 2.177 7.003 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.586 1.521 8.050 1.00 0.39 C ATOM 1049 C ASP A 102 -0.675 0.041 7.733 1.00 0.24 C ATOM 1050 O ASP A 102 -0.268 -0.384 6.654 1.00 0.20 O ATOM 1051 CB ASP A 102 -2.008 2.091 8.139 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.055 3.597 8.292 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.087 4.309 7.274 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.043 4.075 9.440 1.00 0.97 O ATOM 0 H ASP A 102 -0.354 2.781 6.386 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.087 1.691 9.004 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.559 1.809 7.242 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.521 1.633 8.985 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.226 -0.743 8.647 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.433 -2.164 8.394 1.00 0.29 C ATOM 1061 C ASP A 103 -2.304 -2.345 7.148 1.00 0.25 C ATOM 1062 O ASP A 103 -2.154 -3.314 6.407 1.00 0.28 O ATOM 1063 CB ASP A 103 -2.066 -2.849 9.615 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.549 -2.562 9.769 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.933 -1.374 9.814 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.334 -3.534 9.838 1.00 1.60 O ATOM 0 H ASP A 103 -1.537 -0.424 9.565 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.467 -2.637 8.216 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.919 -3.926 9.534 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.545 -2.523 10.515 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.189 -1.376 6.914 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.017 -1.355 5.715 1.00 0.28 C ATOM 1073 C GLU A 104 -3.167 -1.145 4.459 1.00 0.23 C ATOM 1074 O GLU A 104 -3.184 -1.967 3.538 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.064 -0.241 5.814 1.00 0.37 C ATOM 1076 CG GLU A 104 -6.155 -0.498 6.842 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.057 0.708 7.034 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -7.936 0.933 6.177 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -6.890 1.434 8.040 1.00 1.66 O ATOM 0 H GLU A 104 -3.349 -0.591 7.546 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.517 -2.321 5.639 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.561 0.694 6.061 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.527 -0.105 4.836 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.755 -1.352 6.527 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.698 -0.764 7.795 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.406 -0.053 4.429 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.665 0.315 3.225 1.00 0.24 C ATOM 1088 C GLU A 105 -0.543 -0.686 2.951 1.00 0.18 C ATOM 1089 O GLU A 105 -0.244 -0.993 1.797 1.00 0.18 O ATOM 1090 CB GLU A 105 -1.091 1.736 3.332 1.00 0.33 C ATOM 1091 CG GLU A 105 -2.114 2.782 3.739 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.647 4.211 3.499 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.743 4.699 4.221 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.188 4.869 2.594 1.00 0.44 O ATOM 0 H GLU A 105 -2.287 0.586 5.215 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.366 0.294 2.391 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.278 1.735 4.058 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.661 2.017 2.371 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -3.037 2.612 3.185 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.349 2.657 4.796 1.00 0.33 H new ATOM 1101 N PHE A 106 0.060 -1.204 4.013 1.00 0.18 N ATOM 1102 CA PHE A 106 1.115 -2.194 3.876 1.00 0.17 C ATOM 1103 C PHE A 106 0.534 -3.501 3.362 1.00 0.18 C ATOM 1104 O PHE A 106 1.176 -4.207 2.588 1.00 0.23 O ATOM 1105 CB PHE A 106 1.838 -2.416 5.206 1.00 0.18 C ATOM 1106 CG PHE A 106 2.990 -3.380 5.115 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.192 -2.992 4.548 1.00 0.35 C ATOM 1108 CD2 PHE A 106 2.870 -4.674 5.601 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.255 -3.872 4.470 1.00 0.42 C ATOM 1110 CE2 PHE A 106 3.930 -5.557 5.526 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.123 -5.157 4.959 1.00 0.42 C ATOM 0 H PHE A 106 -0.164 -0.954 4.976 1.00 0.18 H new ATOM 0 HA PHE A 106 1.845 -1.822 3.157 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.206 -1.458 5.574 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.123 -2.786 5.941 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.300 -1.989 4.162 1.00 0.35 H new ATOM 0 HD2 PHE A 106 1.938 -4.994 6.043 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.188 -3.555 4.027 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.825 -6.561 5.911 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.951 -5.847 4.898 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.687 -3.814 3.787 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.383 -4.990 3.286 1.00 0.19 C ATOM 1123 C ALA A 107 -1.573 -4.879 1.780 1.00 0.18 C ATOM 1124 O ALA A 107 -1.372 -5.842 1.044 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.729 -5.168 3.979 1.00 0.21 C ATOM 0 H ALA A 107 -1.211 -3.271 4.474 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.775 -5.868 3.505 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.227 -6.054 3.585 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.573 -5.286 5.051 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.351 -4.291 3.797 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.938 -3.688 1.322 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.102 -3.445 -0.105 1.00 0.19 C ATOM 1133 C LEU A 108 -0.759 -3.539 -0.827 1.00 0.20 C ATOM 1134 O LEU A 108 -0.652 -4.181 -1.872 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.735 -2.079 -0.356 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.007 -1.753 -1.826 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -3.951 -2.774 -2.439 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -3.579 -0.355 -1.952 1.00 1.14 C ATOM 0 H LEU A 108 -2.125 -2.879 1.915 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.767 -4.213 -0.500 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.675 -2.025 0.193 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.081 -1.311 0.056 1.00 0.23 H new ATOM 0 HG LEU A 108 -2.064 -1.796 -2.371 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.130 -2.522 -3.484 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -3.504 -3.766 -2.376 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -4.897 -2.767 -1.897 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -3.769 -0.133 -3.002 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -4.513 -0.292 -1.393 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -2.867 0.367 -1.552 1.00 1.14 H new ATOM 1150 N ALA A 109 0.259 -2.907 -0.257 1.00 0.23 N ATOM 1151 CA ALA A 109 1.600 -2.932 -0.827 1.00 0.28 C ATOM 1152 C ALA A 109 2.108 -4.365 -0.980 1.00 0.29 C ATOM 1153 O ALA A 109 2.563 -4.762 -2.053 1.00 0.32 O ATOM 1154 CB ALA A 109 2.549 -2.123 0.042 1.00 0.32 C ATOM 0 H ALA A 109 0.180 -2.368 0.605 1.00 0.23 H new ATOM 0 HA ALA A 109 1.558 -2.485 -1.820 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.549 -2.147 -0.391 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.202 -1.091 0.097 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.578 -2.550 1.045 1.00 0.32 H new ATOM 1160 N ASN A 110 2.010 -5.139 0.095 1.00 0.30 N ATOM 1161 CA ASN A 110 2.445 -6.534 0.083 1.00 0.33 C ATOM 1162 C ASN A 110 1.566 -7.369 -0.828 1.00 0.33 C ATOM 1163 O ASN A 110 2.022 -8.345 -1.420 1.00 0.39 O ATOM 1164 CB ASN A 110 2.439 -7.125 1.496 1.00 0.36 C ATOM 1165 CG ASN A 110 3.785 -7.013 2.184 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.568 -6.008 1.817 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 4.121 -7.830 3.038 1.00 0.71 N flip ATOM 0 H ASN A 110 1.632 -4.825 0.989 1.00 0.30 H new ATOM 0 HA ASN A 110 3.466 -6.555 -0.299 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.686 -6.614 2.096 1.00 0.36 H new ATOM 0 HB3 ASN A 110 2.148 -8.174 1.445 1.00 0.36 H new ATOM 0 HD21 ASN A 110 3.490 -8.590 3.293 1.00 0.71 H new ATOM 0 HD22 ASN A 110 5.031 -7.748 3.492 1.00 0.71 H new ATOM 1174 N HIS A 111 0.302 -6.983 -0.944 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.612 -7.672 -1.839 1.00 0.30 C ATOM 1176 C HIS A 111 -0.152 -7.499 -3.274 1.00 0.33 C ATOM 1177 O HIS A 111 -0.138 -8.450 -4.038 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.038 -7.149 -1.697 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.070 -8.050 -2.305 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.381 -9.296 -1.801 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -3.858 -7.880 -3.391 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.318 -9.848 -2.549 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.627 -9.007 -3.519 1.00 0.45 N ATOM 0 H HIS A 111 -0.109 -6.202 -0.433 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.609 -8.728 -1.570 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.263 -7.014 -0.639 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.104 -6.167 -2.165 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -3.878 -7.015 -4.038 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -4.757 -10.822 -2.394 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.324 -9.170 -4.245 1.00 0.45 H new ATOM 1192 N LEU A 112 0.227 -6.274 -3.628 1.00 0.27 N ATOM 1193 CA LEU A 112 0.719 -5.985 -4.968 1.00 0.32 C ATOM 1194 C LEU A 112 2.015 -6.743 -5.236 1.00 0.36 C ATOM 1195 O LEU A 112 2.207 -7.284 -6.323 1.00 0.40 O ATOM 1196 CB LEU A 112 0.925 -4.477 -5.153 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.355 -3.638 -5.077 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.043 -2.159 -5.258 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.355 -4.096 -6.127 1.00 0.52 C ATOM 0 H LEU A 112 0.202 -5.467 -3.005 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.028 -6.318 -5.689 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.620 -4.124 -4.391 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.398 -4.305 -6.120 1.00 0.36 H new ATOM 0 HG LEU A 112 -0.795 -3.779 -4.090 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -0.966 -1.583 -5.200 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.638 -1.832 -4.473 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.423 -2.002 -6.231 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.258 -3.489 -6.059 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -0.917 -3.985 -7.119 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.607 -5.143 -5.957 1.00 0.52 H new ATOM 1211 N ILE A 113 2.891 -6.790 -4.236 1.00 0.39 N ATOM 1212 CA ILE A 113 4.115 -7.591 -4.319 1.00 0.49 C ATOM 1213 C ILE A 113 3.776 -9.044 -4.637 1.00 0.54 C ATOM 1214 O ILE A 113 4.304 -9.630 -5.586 1.00 0.60 O ATOM 1215 CB ILE A 113 4.914 -7.541 -2.995 1.00 0.55 C ATOM 1216 CG1 ILE A 113 5.417 -6.120 -2.723 1.00 0.57 C ATOM 1217 CG2 ILE A 113 6.075 -8.526 -3.027 1.00 0.73 C ATOM 1218 CD1 ILE A 113 6.131 -5.972 -1.394 1.00 0.84 C ATOM 0 H ILE A 113 2.779 -6.284 -3.358 1.00 0.39 H new ATOM 0 HA ILE A 113 4.727 -7.168 -5.116 1.00 0.49 H new ATOM 0 HB ILE A 113 4.247 -7.830 -2.183 1.00 0.55 H new ATOM 0 HG12 ILE A 113 6.094 -5.824 -3.524 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.571 -5.433 -2.750 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.623 -8.474 -2.086 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.691 -9.536 -3.168 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.743 -8.274 -3.850 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.459 -4.940 -1.270 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.451 -6.236 -0.584 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.997 -6.633 -1.371 1.00 0.84 H new ATOM 1230 N LYS A 114 2.869 -9.600 -3.848 1.00 0.56 N ATOM 1231 CA LYS A 114 2.446 -10.981 -4.004 1.00 0.70 C ATOM 1232 C LYS A 114 1.839 -11.209 -5.384 1.00 0.66 C ATOM 1233 O LYS A 114 2.203 -12.149 -6.084 1.00 0.68 O ATOM 1234 CB LYS A 114 1.432 -11.343 -2.912 1.00 0.86 C ATOM 1235 CG LYS A 114 0.820 -12.719 -3.084 1.00 1.54 C ATOM 1236 CD LYS A 114 1.874 -13.809 -3.076 1.00 2.03 C ATOM 1237 CE LYS A 114 1.374 -15.047 -3.798 1.00 2.96 C ATOM 1238 NZ LYS A 114 0.170 -15.642 -3.147 1.00 3.83 N ATOM 0 H LYS A 114 2.407 -9.107 -3.084 1.00 0.56 H new ATOM 0 HA LYS A 114 3.321 -11.624 -3.907 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.923 -11.292 -1.940 1.00 0.86 H new ATOM 0 HB3 LYS A 114 0.636 -10.599 -2.906 1.00 0.86 H new ATOM 0 HG2 LYS A 114 0.103 -12.901 -2.283 1.00 1.54 H new ATOM 0 HG3 LYS A 114 0.266 -12.756 -4.022 1.00 1.54 H new ATOM 0 HD2 LYS A 114 2.783 -13.446 -3.555 1.00 2.03 H new ATOM 0 HD3 LYS A 114 2.134 -14.062 -2.048 1.00 2.03 H new ATOM 0 HE2 LYS A 114 1.135 -14.790 -4.830 1.00 2.96 H new ATOM 0 HE3 LYS A 114 2.170 -15.791 -3.831 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 0.346 -16.647 -2.944 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 -0.028 -15.139 -2.259 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 -0.648 -15.555 -3.784 1.00 3.83 H new ATOM 1252 N VAL A 115 0.928 -10.327 -5.769 1.00 0.64 N ATOM 1253 CA VAL A 115 0.221 -10.433 -7.038 1.00 0.70 C ATOM 1254 C VAL A 115 1.191 -10.330 -8.220 1.00 0.71 C ATOM 1255 O VAL A 115 1.030 -11.023 -9.229 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.880 -9.347 -7.135 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -1.489 -9.270 -8.524 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.971 -9.608 -6.108 1.00 1.07 C ATOM 0 H VAL A 115 0.658 -9.517 -5.211 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.254 -11.413 -7.082 1.00 0.70 H new ATOM 0 HB VAL A 115 -0.404 -8.388 -6.929 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -2.255 -8.495 -8.543 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -0.712 -9.029 -9.249 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -1.938 -10.230 -8.778 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.738 -8.837 -6.188 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.418 -10.585 -6.292 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.540 -9.589 -5.107 1.00 1.07 H new ATOM 1268 N LYS A 116 2.209 -9.488 -8.083 1.00 0.65 N ATOM 1269 CA LYS A 116 3.241 -9.363 -9.104 1.00 0.73 C ATOM 1270 C LYS A 116 4.028 -10.663 -9.248 1.00 0.76 C ATOM 1271 O LYS A 116 4.177 -11.188 -10.354 1.00 0.90 O ATOM 1272 CB LYS A 116 4.191 -8.208 -8.778 1.00 0.72 C ATOM 1273 CG LYS A 116 3.662 -6.841 -9.187 1.00 0.95 C ATOM 1274 CD LYS A 116 3.513 -6.741 -10.697 1.00 0.93 C ATOM 1275 CE LYS A 116 4.852 -6.902 -11.403 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.689 -7.104 -12.866 1.00 1.32 N ATOM 0 H LYS A 116 2.341 -8.881 -7.274 1.00 0.65 H new ATOM 0 HA LYS A 116 2.746 -9.152 -10.052 1.00 0.73 H new ATOM 0 HB2 LYS A 116 4.389 -8.204 -7.706 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.144 -8.382 -9.277 1.00 0.72 H new ATOM 0 HG2 LYS A 116 2.698 -6.663 -8.711 1.00 0.95 H new ATOM 0 HG3 LYS A 116 4.340 -6.064 -8.833 1.00 0.95 H new ATOM 0 HD2 LYS A 116 2.822 -7.508 -11.047 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.077 -5.776 -10.957 1.00 0.93 H new ATOM 0 HE2 LYS A 116 5.464 -6.018 -11.225 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.387 -7.751 -10.977 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 5.624 -7.209 -13.308 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 4.127 -7.962 -13.037 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 4.202 -6.283 -13.278 1.00 1.32 H new ATOM 1290 N LEU A 117 4.508 -11.186 -8.124 1.00 0.67 N ATOM 1291 CA LEU A 117 5.299 -12.414 -8.116 1.00 0.74 C ATOM 1292 C LEU A 117 4.437 -13.619 -8.477 1.00 0.78 C ATOM 1293 O LEU A 117 4.936 -14.626 -8.972 1.00 0.85 O ATOM 1294 CB LEU A 117 5.935 -12.625 -6.739 1.00 0.74 C ATOM 1295 CG LEU A 117 6.876 -11.509 -6.273 1.00 0.79 C ATOM 1296 CD1 LEU A 117 7.372 -11.789 -4.863 1.00 0.90 C ATOM 1297 CD2 LEU A 117 8.052 -11.360 -7.232 1.00 0.96 C ATOM 0 H LEU A 117 4.362 -10.776 -7.201 1.00 0.67 H new ATOM 0 HA LEU A 117 6.086 -12.315 -8.864 1.00 0.74 H new ATOM 0 HB2 LEU A 117 5.139 -12.737 -6.003 1.00 0.74 H new ATOM 0 HB3 LEU A 117 6.490 -13.563 -6.754 1.00 0.74 H new ATOM 0 HG LEU A 117 6.320 -10.572 -6.266 1.00 0.79 H new ATOM 0 HD11 LEU A 117 8.039 -10.987 -4.546 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.522 -11.844 -4.183 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.911 -12.737 -4.848 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.708 -10.562 -6.883 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.609 -12.296 -7.273 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.681 -11.115 -8.227 1.00 0.96 H new ATOM 1309 N GLU A 118 3.139 -13.503 -8.227 1.00 0.78 N ATOM 1310 CA GLU A 118 2.194 -14.570 -8.530 1.00 0.90 C ATOM 1311 C GLU A 118 1.984 -14.689 -10.038 1.00 1.00 C ATOM 1312 O GLU A 118 1.444 -15.683 -10.527 1.00 1.17 O ATOM 1313 CB GLU A 118 0.862 -14.304 -7.824 1.00 0.95 C ATOM 1314 CG GLU A 118 -0.100 -15.474 -7.851 1.00 1.31 C ATOM 1315 CD GLU A 118 -1.419 -15.144 -7.194 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -1.456 -15.029 -5.951 1.00 1.90 O ATOM 1317 OE2 GLU A 118 -2.422 -14.997 -7.923 1.00 2.18 O ATOM 0 H GLU A 118 2.714 -12.674 -7.812 1.00 0.78 H new ATOM 0 HA GLU A 118 2.603 -15.513 -8.167 1.00 0.90 H new ATOM 0 HB2 GLU A 118 1.061 -14.036 -6.786 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.382 -13.443 -8.290 1.00 0.95 H new ATOM 0 HG2 GLU A 118 -0.276 -15.774 -8.884 1.00 1.31 H new ATOM 0 HG3 GLU A 118 0.353 -16.326 -7.344 1.00 1.31 H new ATOM 1324 N GLY A 119 2.412 -13.670 -10.770 1.00 0.95 N ATOM 1325 CA GLY A 119 2.323 -13.716 -12.213 1.00 1.06 C ATOM 1326 C GLY A 119 1.249 -12.805 -12.770 1.00 1.06 C ATOM 1327 O GLY A 119 0.680 -13.081 -13.823 1.00 1.16 O ATOM 0 H GLY A 119 2.818 -12.815 -10.390 1.00 0.95 H new ATOM 0 HA2 GLY A 119 3.286 -13.436 -12.640 1.00 1.06 H new ATOM 0 HA3 GLY A 119 2.121 -14.740 -12.526 1.00 1.06 H new ATOM 1331 N HIS A 120 0.952 -11.722 -12.067 1.00 0.96 N ATOM 1332 CA HIS A 120 -0.011 -10.746 -12.565 1.00 0.97 C ATOM 1333 C HIS A 120 0.661 -9.386 -12.679 1.00 0.94 C ATOM 1334 O HIS A 120 1.657 -9.122 -12.005 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.230 -10.623 -11.643 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.847 -11.927 -11.229 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -2.959 -12.473 -11.836 1.00 1.80 N ATOM 1338 CD2 HIS A 120 -1.518 -12.776 -10.228 1.00 1.83 C ATOM 1339 CE1 HIS A 120 -3.284 -13.597 -11.225 1.00 2.36 C ATOM 1340 NE2 HIS A 120 -2.424 -13.804 -10.244 1.00 2.42 N ATOM 0 H HIS A 120 1.358 -11.496 -11.159 1.00 0.96 H new ATOM 0 HA HIS A 120 -0.356 -11.089 -13.540 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.935 -10.077 -10.747 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.988 -10.023 -12.146 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -0.692 -12.664 -9.541 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -4.113 -14.239 -11.484 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -2.433 -14.598 -9.604 1.00 2.42 H new ATOM 1349 N GLU A 121 0.121 -8.527 -13.525 1.00 1.03 N ATOM 1350 CA GLU A 121 0.646 -7.181 -13.671 1.00 1.05 C ATOM 1351 C GLU A 121 -0.402 -6.159 -13.259 1.00 0.98 C ATOM 1352 O GLU A 121 -1.595 -6.364 -13.474 1.00 1.14 O ATOM 1353 CB GLU A 121 1.102 -6.936 -15.108 1.00 1.25 C ATOM 1354 CG GLU A 121 0.057 -7.272 -16.163 1.00 1.61 C ATOM 1355 CD GLU A 121 0.558 -6.995 -17.563 1.00 1.79 C ATOM 1356 OE1 GLU A 121 1.593 -7.573 -17.951 1.00 1.77 O ATOM 1357 OE2 GLU A 121 -0.065 -6.186 -18.280 1.00 2.53 O ATOM 0 H GLU A 121 -0.680 -8.737 -14.121 1.00 1.03 H new ATOM 0 HA GLU A 121 1.511 -7.072 -13.016 1.00 1.05 H new ATOM 0 HB2 GLU A 121 1.384 -5.888 -15.214 1.00 1.25 H new ATOM 0 HB3 GLU A 121 1.997 -7.528 -15.299 1.00 1.25 H new ATOM 0 HG2 GLU A 121 -0.220 -8.323 -16.078 1.00 1.61 H new ATOM 0 HG3 GLU A 121 -0.845 -6.689 -15.979 1.00 1.61 H new ATOM 1364 N LEU A 122 0.045 -5.068 -12.659 1.00 0.90 N ATOM 1365 CA LEU A 122 -0.861 -4.038 -12.189 1.00 0.87 C ATOM 1366 C LEU A 122 -0.965 -2.906 -13.204 1.00 0.93 C ATOM 1367 O LEU A 122 0.005 -2.586 -13.889 1.00 1.02 O ATOM 1368 CB LEU A 122 -0.420 -3.526 -10.804 1.00 0.89 C ATOM 1369 CG LEU A 122 1.082 -3.257 -10.620 1.00 1.05 C ATOM 1370 CD1 LEU A 122 1.491 -1.915 -11.214 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.457 -3.325 -9.146 1.00 1.16 C ATOM 0 H LEU A 122 1.032 -4.874 -12.487 1.00 0.90 H new ATOM 0 HA LEU A 122 -1.856 -4.469 -12.081 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -0.960 -2.603 -10.593 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -0.730 -4.255 -10.056 1.00 0.89 H new ATOM 0 HG LEU A 122 1.625 -4.034 -11.159 1.00 1.05 H new ATOM 0 HD11 LEU A 122 2.560 -1.761 -11.064 1.00 1.33 H new ATOM 0 HD12 LEU A 122 1.270 -1.907 -12.281 1.00 1.33 H new ATOM 0 HD13 LEU A 122 0.937 -1.115 -10.722 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.524 -3.132 -9.033 1.00 1.16 H new ATOM 0 HD22 LEU A 122 0.892 -2.575 -8.592 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.224 -4.316 -8.757 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.153 -2.296 -13.325 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.401 -1.219 -14.287 1.00 1.06 C ATOM 1385 C PRO A 123 -1.744 0.097 -13.878 1.00 1.07 C ATOM 1386 O PRO A 123 -1.784 1.070 -14.625 1.00 1.18 O ATOM 1387 CB PRO A 123 -3.932 -1.067 -14.286 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.456 -2.222 -13.499 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.359 -2.618 -12.556 1.00 1.02 C ATOM 0 HA PRO A 123 -1.983 -1.458 -15.265 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.230 -0.120 -13.836 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -4.326 -1.075 -15.302 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -5.357 -1.944 -12.953 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -4.724 -3.051 -14.155 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -3.406 -2.060 -11.621 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -3.406 -3.676 -12.299 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.151 0.105 -12.678 1.00 1.00 N ATOM 1398 CA ALA A 124 -0.486 1.284 -12.119 1.00 1.07 C ATOM 1399 C ALA A 124 -1.499 2.365 -11.744 1.00 1.11 C ATOM 1400 O ALA A 124 -1.146 3.532 -11.568 1.00 1.25 O ATOM 1401 CB ALA A 124 0.568 1.831 -13.081 1.00 1.23 C ATOM 0 H ALA A 124 -1.120 -0.711 -12.066 1.00 1.00 H new ATOM 0 HA ALA A 124 0.023 0.974 -11.206 1.00 1.07 H new ATOM 0 HB1 ALA A 124 1.045 2.706 -12.639 1.00 1.23 H new ATOM 0 HB2 ALA A 124 1.320 1.065 -13.271 1.00 1.23 H new ATOM 0 HB3 ALA A 124 0.092 2.113 -14.020 1.00 1.23 H new ATOM 1407 N ASP A 125 -2.754 1.958 -11.599 1.00 1.06 N ATOM 1408 CA ASP A 125 -3.811 2.845 -11.131 1.00 1.15 C ATOM 1409 C ASP A 125 -4.349 2.332 -9.804 1.00 1.07 C ATOM 1410 O ASP A 125 -3.996 1.229 -9.378 1.00 1.04 O ATOM 1411 CB ASP A 125 -4.961 2.930 -12.144 1.00 1.24 C ATOM 1412 CG ASP A 125 -4.588 3.656 -13.420 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -4.523 4.904 -13.404 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -4.381 2.986 -14.454 1.00 2.73 O ATOM 0 H ASP A 125 -3.067 1.008 -11.801 1.00 1.06 H new ATOM 0 HA ASP A 125 -3.388 3.842 -11.009 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -5.292 1.921 -12.392 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -5.807 3.438 -11.680 1.00 1.24 H new ATOM 1419 N LEU A 126 -5.198 3.115 -9.154 1.00 1.07 N ATOM 1420 CA LEU A 126 -5.810 2.693 -7.901 1.00 1.02 C ATOM 1421 C LEU A 126 -7.324 2.554 -8.065 1.00 1.10 C ATOM 1422 O LEU A 126 -8.060 3.540 -8.014 1.00 1.20 O ATOM 1423 CB LEU A 126 -5.488 3.690 -6.782 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.922 3.262 -5.379 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.207 1.989 -4.964 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -5.652 4.375 -4.380 1.00 1.66 C ATOM 0 H LEU A 126 -5.478 4.043 -9.472 1.00 1.07 H new ATOM 0 HA LEU A 126 -5.398 1.721 -7.629 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -4.412 3.866 -6.774 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -5.965 4.641 -7.017 1.00 1.00 H new ATOM 0 HG LEU A 126 -6.994 3.063 -5.395 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -5.529 1.701 -3.963 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -5.447 1.191 -5.667 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -4.130 2.160 -4.964 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -5.966 4.056 -3.386 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -4.586 4.603 -4.368 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -6.210 5.266 -4.668 1.00 1.66 H new ATOM 1438 N PRO A 127 -7.802 1.322 -8.297 1.00 1.08 N ATOM 1439 CA PRO A 127 -9.232 1.035 -8.437 1.00 1.16 C ATOM 1440 C PRO A 127 -9.963 1.032 -7.088 1.00 1.08 C ATOM 1441 O PRO A 127 -9.357 0.788 -6.045 1.00 0.96 O ATOM 1442 CB PRO A 127 -9.244 -0.361 -9.060 1.00 1.17 C ATOM 1443 CG PRO A 127 -7.988 -0.996 -8.580 1.00 1.11 C ATOM 1444 CD PRO A 127 -6.977 0.111 -8.450 1.00 1.03 C ATOM 0 HA PRO A 127 -9.748 1.789 -9.032 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -10.120 -0.928 -8.746 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -9.271 -0.309 -10.148 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -8.145 -1.493 -7.623 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -7.644 -1.756 -9.281 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -6.325 -0.041 -7.589 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -6.335 0.172 -9.329 1.00 1.03 H new ATOM 1452 N PRO A 128 -11.288 1.275 -7.100 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.103 1.393 -5.876 1.00 1.21 C ATOM 1454 C PRO A 128 -11.994 0.181 -4.945 1.00 1.10 C ATOM 1455 O PRO A 128 -12.023 0.326 -3.725 1.00 1.18 O ATOM 1456 CB PRO A 128 -13.539 1.529 -6.408 1.00 1.37 C ATOM 1457 CG PRO A 128 -13.480 1.124 -7.843 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.098 1.464 -8.311 1.00 1.37 C ATOM 0 HA PRO A 128 -11.770 2.233 -5.266 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.225 0.892 -5.850 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -13.899 2.553 -6.305 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -13.679 0.058 -7.956 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -14.232 1.653 -8.429 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -11.773 0.811 -9.121 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.037 2.487 -8.683 1.00 1.37 H new ATOM 1466 N HIS A 129 -11.852 -1.014 -5.513 1.00 1.01 N ATOM 1467 CA HIS A 129 -11.793 -2.230 -4.698 1.00 0.97 C ATOM 1468 C HIS A 129 -10.402 -2.440 -4.091 1.00 0.84 C ATOM 1469 O HIS A 129 -10.129 -3.485 -3.503 1.00 0.85 O ATOM 1470 CB HIS A 129 -12.232 -3.477 -5.492 1.00 1.00 C ATOM 1471 CG HIS A 129 -11.385 -3.814 -6.683 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -10.085 -4.180 -6.780 1.00 1.07 N flip ATOM 1473 CD2 HIS A 129 -11.880 -3.832 -7.968 1.00 0.84 C flip ATOM 1474 CE1 HIS A 129 -9.827 -4.407 -8.106 1.00 1.02 C flip ATOM 1475 NE2 HIS A 129 -10.923 -4.192 -8.801 1.00 0.89 N flip ATOM 0 H HIS A 129 -11.776 -1.169 -6.518 1.00 1.01 H new ATOM 0 HA HIS A 129 -12.500 -2.090 -3.880 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -12.237 -4.333 -4.817 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -13.259 -3.330 -5.828 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -12.894 -3.589 -8.250 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -8.876 -4.714 -8.515 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -11.017 -4.287 -9.812 1.00 0.89 H new ATOM 1484 N LEU A 130 -9.523 -1.453 -4.244 1.00 0.79 N ATOM 1485 CA LEU A 130 -8.207 -1.502 -3.618 1.00 0.70 C ATOM 1486 C LEU A 130 -8.036 -0.369 -2.610 1.00 0.65 C ATOM 1487 O LEU A 130 -6.963 -0.201 -2.036 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.087 -1.457 -4.661 1.00 0.73 C ATOM 1489 CG LEU A 130 -6.921 -2.723 -5.498 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -5.683 -2.618 -6.373 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -6.839 -3.947 -4.602 1.00 1.29 C ATOM 0 H LEU A 130 -9.698 -0.612 -4.795 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.137 -2.452 -3.087 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -7.273 -0.619 -5.333 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -6.146 -1.253 -4.150 1.00 0.73 H new ATOM 0 HG LEU A 130 -7.793 -2.829 -6.143 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -5.577 -3.528 -6.964 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -5.780 -1.761 -7.040 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -4.802 -2.490 -5.744 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -6.721 -4.840 -5.216 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -5.984 -3.851 -3.932 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -7.753 -4.029 -4.014 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.102 0.382 -2.379 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.074 1.473 -1.413 1.00 0.71 C ATOM 1505 C VAL A 131 -9.363 0.949 -0.003 1.00 0.69 C ATOM 1506 O VAL A 131 -10.389 0.310 0.232 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.101 2.573 -1.769 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -10.057 3.705 -0.747 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -9.854 3.104 -3.177 1.00 1.28 C ATOM 0 H VAL A 131 -9.999 0.257 -2.847 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.075 1.908 -1.445 1.00 0.71 H new ATOM 0 HB VAL A 131 -11.097 2.132 -1.742 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.787 4.468 -1.017 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -10.292 3.312 0.242 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.060 4.146 -0.735 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -10.587 3.877 -3.408 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -8.851 3.526 -3.236 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -9.947 2.289 -3.895 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.445 1.193 0.948 1.00 0.62 N ATOM 1520 CA PRO A 132 -8.603 0.759 2.345 1.00 0.65 C ATOM 1521 C PRO A 132 -9.922 1.235 2.968 1.00 0.77 C ATOM 1522 O PRO A 132 -10.382 2.349 2.696 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.406 1.398 3.051 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.389 1.577 1.977 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.164 1.887 0.730 1.00 0.57 C ATOM 0 HA PRO A 132 -8.635 -0.327 2.432 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.676 2.352 3.505 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.030 0.760 3.851 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.700 2.386 2.221 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -5.790 0.675 1.851 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.305 2.960 0.600 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.655 1.522 -0.162 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.544 0.400 3.822 1.00 0.88 N ATOM 1534 CA PRO A 133 -11.862 0.688 4.403 1.00 1.03 C ATOM 1535 C PRO A 133 -11.882 1.932 5.288 1.00 1.04 C ATOM 1536 O PRO A 133 -12.868 2.668 5.310 1.00 1.13 O ATOM 1537 CB PRO A 133 -12.182 -0.554 5.242 1.00 1.17 C ATOM 1538 CG PRO A 133 -11.247 -1.610 4.760 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.014 -0.889 4.298 1.00 0.93 C ATOM 0 HA PRO A 133 -12.588 0.894 3.617 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -12.039 -0.358 6.305 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.220 -0.859 5.111 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.011 -2.316 5.556 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -11.692 -2.184 3.947 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -9.297 -0.756 5.108 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -9.502 -1.433 3.504 1.00 0.93 H new ATOM 1547 N SER A 134 -10.797 2.174 6.005 1.00 1.02 N ATOM 1548 CA SER A 134 -10.764 3.276 6.953 1.00 1.09 C ATOM 1549 C SER A 134 -10.329 4.575 6.277 1.00 1.09 C ATOM 1550 O SER A 134 -10.252 5.622 6.923 1.00 1.22 O ATOM 1551 CB SER A 134 -9.822 2.936 8.107 1.00 1.14 C ATOM 1552 OG SER A 134 -9.884 3.909 9.139 1.00 1.60 O ATOM 0 H SER A 134 -9.936 1.629 5.951 1.00 1.02 H new ATOM 0 HA SER A 134 -11.771 3.425 7.342 1.00 1.09 H new ATOM 0 HB2 SER A 134 -10.081 1.958 8.513 1.00 1.14 H new ATOM 0 HB3 SER A 134 -8.800 2.865 7.734 1.00 1.14 H new ATOM 0 HG SER A 134 -10.135 4.776 8.757 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.057 4.510 4.980 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.566 5.674 4.250 1.00 1.02 C ATOM 1560 C LYS A 135 -10.515 6.061 3.118 1.00 1.11 C ATOM 1561 O LYS A 135 -10.195 6.914 2.287 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.170 5.383 3.699 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.183 4.947 4.769 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.847 4.558 4.163 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.922 3.936 5.195 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.463 4.920 6.209 1.00 1.15 N ATOM 0 H LYS A 135 -10.167 3.669 4.413 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.515 6.517 4.940 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.241 4.604 2.940 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.788 6.276 3.204 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -7.038 5.757 5.484 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.593 4.102 5.322 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -6.009 3.853 3.347 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.372 5.440 3.733 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -5.438 3.117 5.695 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.056 3.507 4.691 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -3.592 4.573 6.660 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -4.274 5.832 5.747 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -5.201 5.044 6.931 1.00 1.15 H new ATOM 1760 N GLY B 149 8.353 10.161 -1.711 1.00 0.48 N ATOM 1761 CA GLY B 149 8.392 8.745 -1.427 1.00 0.35 C ATOM 1762 C GLY B 149 9.818 8.239 -1.373 1.00 0.33 C ATOM 1763 O GLY B 149 10.695 8.819 -2.005 1.00 0.39 O ATOM 0 HA2 GLY B 149 7.897 8.548 -0.476 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.839 8.202 -2.193 1.00 0.35 H new ATOM 1767 N PRO B 150 10.075 7.131 -0.664 1.00 0.28 N ATOM 1768 CA PRO B 150 11.436 6.625 -0.435 1.00 0.29 C ATOM 1769 C PRO B 150 12.042 5.952 -1.668 1.00 0.30 C ATOM 1770 O PRO B 150 13.199 5.547 -1.657 1.00 0.33 O ATOM 1771 CB PRO B 150 11.233 5.615 0.701 1.00 0.29 C ATOM 1772 CG PRO B 150 9.847 5.115 0.506 1.00 0.26 C ATOM 1773 CD PRO B 150 9.059 6.284 -0.016 1.00 0.26 C ATOM 0 HA PRO B 150 12.138 7.425 -0.201 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.959 4.804 0.647 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.352 6.085 1.677 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.827 4.284 -0.199 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.428 4.748 1.443 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.293 5.966 -0.723 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.550 6.815 0.789 1.00 0.26 H new ATOM 1781 N PHE B 151 11.260 5.839 -2.734 1.00 0.31 N ATOM 1782 CA PHE B 151 11.738 5.201 -3.956 1.00 0.36 C ATOM 1783 C PHE B 151 12.107 6.243 -5.007 1.00 0.51 C ATOM 1784 O PHE B 151 12.640 5.909 -6.066 1.00 0.75 O ATOM 1785 CB PHE B 151 10.682 4.243 -4.512 1.00 0.34 C ATOM 1786 CG PHE B 151 10.299 3.162 -3.543 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.223 2.210 -3.145 1.00 0.32 C ATOM 1788 CD2 PHE B 151 9.009 3.091 -3.044 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.868 1.209 -2.261 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.647 2.092 -2.163 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.605 1.179 -1.729 1.00 0.41 C ATOM 0 H PHE B 151 10.299 6.178 -2.779 1.00 0.31 H new ATOM 0 HA PHE B 151 12.633 4.630 -3.708 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.792 4.811 -4.784 1.00 0.34 H new ATOM 0 HB3 PHE B 151 11.060 3.786 -5.426 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.231 2.250 -3.530 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.278 3.826 -3.348 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.586 0.450 -1.989 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.628 2.019 -1.813 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.353 0.448 -0.974 1.00 0.41 H new