USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=24 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 79 SER OG : rot 81:sc= 0.526 USER MOD Set 1.2: A 114 LYS NZ :NH3+ -177:sc= 0.718 (180deg=0.137!) USER MOD Set 2.1: A 53 TYR OH : rot 74:sc= 2.04 USER MOD Set 2.2: A 111 HIS : no HE2:sc= 1.24 K(o=3.3,f=-7.7!) USER MOD Set 3.1: A 68 THR OG1 : rot 180:sc= 0.684 USER MOD Set 3.2: A 71 ASN : amide:sc= 1.89 K(o=3.8,f=-6!) USER MOD Set 3.3: A 74 LYS NZ :NH3+ -103:sc= 1.24 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.396 (180deg=0.269) USER MOD Single : A 52 THR OG1 : rot 147:sc= 1.21 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -79:sc= 0.635 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 158:sc= -0.146 (180deg=-1.07!) USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= 0.709 (180deg=0.435) USER MOD Single : A 76 MET CE :methyl -114:sc= -5.98! (180deg=-9.08!) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0251) USER MOD Single : A 80 LYS NZ :NH3+ 146:sc= -1.94! (180deg=-3.95!) USER MOD Single : A 83 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.11) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.0124 (180deg=-0.185) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= -1.8! (180deg=-2.63!) USER MOD Single : A 110 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.52!) USER MOD Single : A 116 LYS NZ :NH3+ 147:sc= 0.55 (180deg=-0.519!) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.557 F(o=-1.3,f=-0.56) USER MOD Single : A 129 HIS : no HD1:sc= -0.0022 X(o=-0.0022,f=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 156:sc= 1.24 (180deg=0.538) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 43 -16.320 -4.419 -0.968 1.00 1.02 N ATOM 102 CA GLU A 43 -15.383 -5.271 -0.254 1.00 0.97 C ATOM 103 C GLU A 43 -13.944 -4.944 -0.634 1.00 0.80 C ATOM 104 O GLU A 43 -13.599 -4.868 -1.813 1.00 0.79 O ATOM 105 CB GLU A 43 -15.704 -6.739 -0.555 1.00 1.17 C ATOM 106 CG GLU A 43 -14.788 -7.736 0.140 1.00 1.78 C ATOM 107 CD GLU A 43 -15.262 -9.164 -0.029 1.00 2.27 C ATOM 108 OE1 GLU A 43 -14.891 -9.814 -1.027 1.00 3.10 O ATOM 109 OE2 GLU A 43 -16.010 -9.647 0.844 1.00 2.15 O ATOM 0 HA GLU A 43 -15.486 -5.091 0.816 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -16.733 -6.942 -0.259 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -15.645 -6.898 -1.632 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -13.779 -7.640 -0.261 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -14.733 -7.497 1.202 1.00 1.78 H new ATOM 116 N TRP A 44 -13.112 -4.729 0.374 1.00 0.71 N ATOM 117 CA TRP A 44 -11.707 -4.449 0.149 1.00 0.60 C ATOM 118 C TRP A 44 -10.958 -5.760 -0.057 1.00 0.60 C ATOM 119 O TRP A 44 -10.721 -6.514 0.888 1.00 0.64 O ATOM 120 CB TRP A 44 -11.118 -3.665 1.323 1.00 0.57 C ATOM 121 CG TRP A 44 -9.822 -2.983 0.999 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.463 -2.437 -0.198 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.726 -2.743 1.892 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.208 -1.891 -0.109 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.734 -2.063 1.159 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.480 -3.046 3.231 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.524 -1.671 1.727 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -7.280 -2.656 3.794 1.00 0.49 C ATOM 129 CH2 TRP A 44 -6.312 -1.976 3.042 1.00 0.44 C ATOM 0 H TRP A 44 -13.388 -4.744 1.356 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.602 -3.835 -0.745 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.841 -2.917 1.649 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.962 -4.344 2.161 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.077 -2.435 -1.086 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.709 -1.430 -0.869 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -9.215 -3.577 3.818 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.780 -1.144 1.148 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -7.084 -2.879 4.832 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -5.382 -1.688 3.510 1.00 0.44 H new ATOM 140 N VAL A 45 -10.590 -6.018 -1.302 1.00 0.61 N ATOM 141 CA VAL A 45 -10.021 -7.304 -1.704 1.00 0.64 C ATOM 142 C VAL A 45 -8.631 -7.544 -1.088 1.00 0.57 C ATOM 143 O VAL A 45 -8.063 -8.631 -1.202 1.00 0.69 O ATOM 144 CB VAL A 45 -9.947 -7.382 -3.245 1.00 0.72 C ATOM 145 CG1 VAL A 45 -8.872 -6.460 -3.791 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.730 -8.809 -3.713 1.00 1.28 C ATOM 0 H VAL A 45 -10.675 -5.346 -2.065 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.677 -8.089 -1.328 1.00 0.64 H new ATOM 0 HB VAL A 45 -10.906 -7.045 -3.638 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -8.844 -6.537 -4.878 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -9.095 -5.432 -3.506 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -7.904 -6.748 -3.382 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -9.682 -8.832 -4.802 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -8.795 -9.189 -3.301 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -10.557 -9.433 -3.373 1.00 1.28 H new ATOM 156 N VAL A 46 -8.094 -6.533 -0.424 1.00 0.46 N ATOM 157 CA VAL A 46 -6.797 -6.651 0.233 1.00 0.42 C ATOM 158 C VAL A 46 -6.936 -7.349 1.583 1.00 0.38 C ATOM 159 O VAL A 46 -6.000 -7.993 2.058 1.00 0.41 O ATOM 160 CB VAL A 46 -6.146 -5.266 0.422 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.787 -5.384 1.092 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.021 -4.558 -0.918 1.00 1.10 C ATOM 0 H VAL A 46 -8.535 -5.619 -0.324 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.154 -7.253 -0.409 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.788 -4.675 1.074 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.353 -4.391 1.212 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.903 -5.850 2.071 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -4.129 -5.996 0.475 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.560 -3.581 -0.772 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.402 -5.155 -1.588 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -7.011 -4.430 -1.356 1.00 1.10 H new ATOM 172 N GLY A 47 -8.128 -7.268 2.164 1.00 0.40 N ATOM 173 CA GLY A 47 -8.345 -7.809 3.496 1.00 0.47 C ATOM 174 C GLY A 47 -8.408 -9.326 3.523 1.00 0.49 C ATOM 175 O GLY A 47 -8.401 -9.928 4.595 1.00 0.59 O ATOM 0 H GLY A 47 -8.949 -6.838 1.738 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.542 -7.473 4.153 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.275 -7.406 3.898 1.00 0.47 H new ATOM 179 N LYS A 48 -8.451 -9.952 2.351 1.00 0.49 N ATOM 180 CA LYS A 48 -8.586 -11.406 2.273 1.00 0.61 C ATOM 181 C LYS A 48 -7.280 -12.102 2.648 1.00 0.60 C ATOM 182 O LYS A 48 -7.285 -13.236 3.130 1.00 0.73 O ATOM 183 CB LYS A 48 -9.008 -11.845 0.869 1.00 0.72 C ATOM 184 CG LYS A 48 -7.979 -11.528 -0.205 1.00 0.74 C ATOM 185 CD LYS A 48 -8.218 -12.338 -1.466 1.00 0.96 C ATOM 186 CE LYS A 48 -8.112 -13.827 -1.189 1.00 1.82 C ATOM 187 NZ LYS A 48 -8.140 -14.630 -2.439 1.00 2.46 N ATOM 0 H LYS A 48 -8.395 -9.481 1.448 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.359 -11.695 2.985 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.196 -12.919 0.875 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -9.949 -11.358 0.613 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -8.016 -10.465 -0.443 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -6.979 -11.735 0.176 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -9.205 -12.109 -1.867 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -7.491 -12.054 -2.227 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -7.188 -14.030 -0.648 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -8.934 -14.135 -0.542 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -8.065 -15.640 -2.204 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -9.033 -14.457 -2.943 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -7.341 -14.356 -3.046 1.00 2.46 H new ATOM 201 N ASP A 49 -6.159 -11.428 2.426 1.00 0.48 N ATOM 202 CA ASP A 49 -4.860 -12.010 2.744 1.00 0.50 C ATOM 203 C ASP A 49 -4.095 -11.070 3.659 1.00 0.44 C ATOM 204 O ASP A 49 -2.865 -11.026 3.656 1.00 0.45 O ATOM 205 CB ASP A 49 -4.065 -12.255 1.459 1.00 0.60 C ATOM 206 CG ASP A 49 -2.907 -13.214 1.654 1.00 1.16 C ATOM 207 OD1 ASP A 49 -2.915 -13.960 2.662 1.00 1.52 O ATOM 208 OD2 ASP A 49 -1.972 -13.205 0.824 1.00 1.66 O ATOM 0 H ASP A 49 -6.121 -10.488 2.031 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.007 -12.964 3.250 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.733 -12.651 0.695 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.684 -11.304 1.087 1.00 0.60 H new ATOM 213 N LYS A 50 -4.834 -10.374 4.505 1.00 0.43 N ATOM 214 CA LYS A 50 -4.242 -9.369 5.368 1.00 0.49 C ATOM 215 C LYS A 50 -3.419 -9.995 6.501 1.00 0.45 C ATOM 216 O LYS A 50 -2.333 -9.511 6.778 1.00 0.45 O ATOM 217 CB LYS A 50 -5.296 -8.423 5.943 1.00 0.70 C ATOM 218 CG LYS A 50 -4.700 -7.087 6.346 1.00 0.72 C ATOM 219 CD LYS A 50 -5.623 -6.280 7.243 1.00 0.90 C ATOM 220 CE LYS A 50 -4.877 -5.114 7.871 1.00 1.01 C ATOM 221 NZ LYS A 50 -5.734 -4.309 8.782 1.00 1.15 N ATOM 0 H LYS A 50 -5.842 -10.486 4.612 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.566 -8.788 4.741 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.081 -8.262 5.204 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.766 -8.887 6.810 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -3.755 -7.256 6.862 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -4.475 -6.509 5.450 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -6.468 -5.908 6.663 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -6.030 -6.921 8.025 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -4.019 -5.493 8.426 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -4.487 -4.470 7.083 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -5.202 -3.480 9.116 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -6.583 -3.993 8.271 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -6.017 -4.890 9.597 1.00 1.15 H new ATOM 235 N PRO A 51 -3.911 -11.062 7.183 1.00 0.49 N ATOM 236 CA PRO A 51 -3.153 -11.765 8.237 1.00 0.58 C ATOM 237 C PRO A 51 -1.703 -12.058 7.843 1.00 0.46 C ATOM 238 O PRO A 51 -0.788 -11.962 8.665 1.00 0.47 O ATOM 239 CB PRO A 51 -3.921 -13.084 8.422 1.00 0.69 C ATOM 240 CG PRO A 51 -4.992 -13.094 7.376 1.00 0.75 C ATOM 241 CD PRO A 51 -5.245 -11.659 7.028 1.00 0.55 C ATOM 0 HA PRO A 51 -3.083 -11.157 9.139 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.257 -13.941 8.307 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -4.352 -13.147 9.421 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -4.675 -13.658 6.499 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.898 -13.570 7.750 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.626 -11.547 6.013 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.976 -11.201 7.695 1.00 0.55 H new ATOM 249 N THR A 52 -1.498 -12.386 6.577 1.00 0.38 N ATOM 250 CA THR A 52 -0.169 -12.700 6.074 1.00 0.36 C ATOM 251 C THR A 52 0.707 -11.446 6.070 1.00 0.26 C ATOM 252 O THR A 52 1.836 -11.450 6.581 1.00 0.28 O ATOM 253 CB THR A 52 -0.260 -13.263 4.639 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.220 -14.329 4.594 1.00 0.68 O ATOM 255 CG2 THR A 52 1.094 -13.773 4.164 1.00 0.66 C ATOM 0 H THR A 52 -2.237 -12.442 5.877 1.00 0.38 H new ATOM 0 HA THR A 52 0.277 -13.449 6.728 1.00 0.36 H new ATOM 0 HB THR A 52 -0.576 -12.457 3.977 1.00 0.42 H new ATOM 0 HG1 THR A 52 -1.661 -14.336 3.719 1.00 0.68 H new ATOM 0 HG21 THR A 52 1.001 -14.164 3.151 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.814 -12.955 4.172 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.438 -14.566 4.828 1.00 0.66 H new ATOM 263 N TYR A 53 0.152 -10.355 5.564 1.00 0.22 N ATOM 264 CA TYR A 53 0.887 -9.104 5.470 1.00 0.23 C ATOM 265 C TYR A 53 0.990 -8.474 6.848 1.00 0.23 C ATOM 266 O TYR A 53 1.858 -7.652 7.104 1.00 0.24 O ATOM 267 CB TYR A 53 0.201 -8.150 4.486 1.00 0.33 C ATOM 268 CG TYR A 53 -0.234 -8.824 3.205 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.559 -9.798 2.608 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.442 -8.504 2.599 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.158 -10.437 1.452 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.846 -9.135 1.440 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.045 -10.101 0.874 1.00 0.57 C ATOM 274 OH TYR A 53 -1.455 -10.742 -0.269 1.00 0.69 O ATOM 0 H TYR A 53 -0.805 -10.311 5.212 1.00 0.22 H new ATOM 0 HA TYR A 53 1.891 -9.305 5.096 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -0.670 -7.706 4.968 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.883 -7.334 4.246 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.506 -10.059 3.057 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.075 -7.749 3.042 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.784 -11.195 1.004 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.787 -8.872 0.979 1.00 0.62 H new ATOM 0 HH TYR A 53 -1.748 -11.650 -0.047 1.00 0.69 H new ATOM 284 N ASP A 54 0.097 -8.896 7.736 1.00 0.28 N ATOM 285 CA ASP A 54 0.119 -8.474 9.128 1.00 0.35 C ATOM 286 C ASP A 54 1.351 -9.034 9.823 1.00 0.33 C ATOM 287 O ASP A 54 2.065 -8.315 10.522 1.00 0.35 O ATOM 288 CB ASP A 54 -1.150 -8.956 9.837 1.00 0.51 C ATOM 289 CG ASP A 54 -1.136 -8.696 11.331 1.00 1.35 C ATOM 290 OD1 ASP A 54 -0.607 -9.543 12.076 1.00 2.18 O ATOM 291 OD2 ASP A 54 -1.638 -7.635 11.759 1.00 1.83 O ATOM 0 H ASP A 54 -0.661 -9.540 7.510 1.00 0.28 H new ATOM 0 HA ASP A 54 0.157 -7.385 9.169 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -2.015 -8.460 9.397 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.272 -10.025 9.662 1.00 0.51 H new ATOM 296 N GLU A 55 1.624 -10.312 9.593 1.00 0.35 N ATOM 297 CA GLU A 55 2.794 -10.941 10.185 1.00 0.43 C ATOM 298 C GLU A 55 4.070 -10.357 9.598 1.00 0.38 C ATOM 299 O GLU A 55 5.106 -10.308 10.261 1.00 0.46 O ATOM 300 CB GLU A 55 2.768 -12.455 9.996 1.00 0.54 C ATOM 301 CG GLU A 55 1.616 -13.131 10.721 1.00 1.31 C ATOM 302 CD GLU A 55 1.823 -14.619 10.885 1.00 1.54 C ATOM 303 OE1 GLU A 55 2.449 -15.028 11.889 1.00 2.33 O ATOM 304 OE2 GLU A 55 1.366 -15.393 10.020 1.00 1.65 O ATOM 0 H GLU A 55 1.058 -10.926 9.008 1.00 0.35 H new ATOM 0 HA GLU A 55 2.774 -10.736 11.255 1.00 0.43 H new ATOM 0 HB2 GLU A 55 2.701 -12.680 8.932 1.00 0.54 H new ATOM 0 HB3 GLU A 55 3.709 -12.875 10.352 1.00 0.54 H new ATOM 0 HG2 GLU A 55 1.493 -12.675 11.703 1.00 1.31 H new ATOM 0 HG3 GLU A 55 0.692 -12.955 10.170 1.00 1.31 H new ATOM 311 N ILE A 56 3.990 -9.907 8.356 1.00 0.32 N ATOM 312 CA ILE A 56 5.125 -9.243 7.721 1.00 0.35 C ATOM 313 C ILE A 56 5.235 -7.787 8.198 1.00 0.32 C ATOM 314 O ILE A 56 6.323 -7.221 8.281 1.00 0.45 O ATOM 315 CB ILE A 56 5.002 -9.304 6.185 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.887 -10.763 5.751 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.194 -8.629 5.514 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.365 -10.940 4.347 1.00 0.64 C ATOM 0 H ILE A 56 3.160 -9.987 7.769 1.00 0.32 H new ATOM 0 HA ILE A 56 6.035 -9.768 8.011 1.00 0.35 H new ATOM 0 HB ILE A 56 4.107 -8.764 5.875 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.867 -11.233 5.826 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.228 -11.287 6.443 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.082 -8.686 4.431 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.240 -7.584 5.820 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.113 -9.134 5.811 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.311 -12.003 4.110 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.371 -10.500 4.270 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.036 -10.445 3.644 1.00 0.64 H new ATOM 330 N PHE A 57 4.100 -7.203 8.540 1.00 0.20 N ATOM 331 CA PHE A 57 4.042 -5.832 9.038 1.00 0.19 C ATOM 332 C PHE A 57 4.627 -5.746 10.448 1.00 0.16 C ATOM 333 O PHE A 57 5.366 -4.814 10.776 1.00 0.15 O ATOM 334 CB PHE A 57 2.581 -5.365 9.040 1.00 0.21 C ATOM 335 CG PHE A 57 2.382 -3.918 9.391 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.623 -2.926 8.457 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.939 -3.550 10.650 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.433 -1.594 8.772 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.747 -2.219 10.972 1.00 0.25 C ATOM 340 CZ PHE A 57 1.996 -1.240 10.032 1.00 0.27 C ATOM 0 H PHE A 57 3.191 -7.662 8.482 1.00 0.20 H new ATOM 0 HA PHE A 57 4.633 -5.187 8.388 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.155 -5.547 8.053 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.020 -5.976 9.747 1.00 0.21 H new ATOM 0 HD1 PHE A 57 2.964 -3.196 7.469 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.741 -4.312 11.390 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.626 -0.831 8.033 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.402 -1.946 11.958 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.849 -0.200 10.282 1.00 0.27 H new ATOM 350 N TYR A 58 4.307 -6.737 11.270 1.00 0.19 N ATOM 351 CA TYR A 58 4.723 -6.743 12.668 1.00 0.22 C ATOM 352 C TYR A 58 6.182 -7.158 12.819 1.00 0.26 C ATOM 353 O TYR A 58 6.775 -6.989 13.882 1.00 0.39 O ATOM 354 CB TYR A 58 3.815 -7.662 13.490 1.00 0.26 C ATOM 355 CG TYR A 58 2.438 -7.091 13.760 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.766 -6.343 12.802 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.809 -7.310 14.977 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.508 -5.829 13.045 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.551 -6.800 15.233 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.097 -6.060 14.264 1.00 0.83 C ATOM 361 OH TYR A 58 -1.353 -5.546 14.518 1.00 1.05 O ATOM 0 H TYR A 58 3.758 -7.551 10.992 1.00 0.19 H new ATOM 0 HA TYR A 58 4.630 -5.725 13.046 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.706 -8.611 12.965 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.300 -7.877 14.442 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.237 -6.160 11.848 1.00 1.07 H new ATOM 0 HD2 TYR A 58 2.312 -7.889 15.737 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.001 -5.250 12.287 1.00 1.17 H new ATOM 0 HE2 TYR A 58 0.077 -6.979 16.187 1.00 1.17 H new ATOM 0 HH TYR A 58 -1.634 -5.801 15.421 1.00 1.05 H new ATOM 371 N THR A 59 6.768 -7.684 11.755 1.00 0.25 N ATOM 372 CA THR A 59 8.164 -8.085 11.787 1.00 0.29 C ATOM 373 C THR A 59 9.071 -6.947 11.322 1.00 0.29 C ATOM 374 O THR A 59 10.294 -7.031 11.423 1.00 0.36 O ATOM 375 CB THR A 59 8.407 -9.341 10.929 1.00 0.35 C ATOM 376 OG1 THR A 59 7.660 -9.255 9.713 1.00 0.44 O ATOM 377 CG2 THR A 59 8.000 -10.599 11.678 1.00 0.38 C ATOM 0 H THR A 59 6.300 -7.842 10.862 1.00 0.25 H new ATOM 0 HA THR A 59 8.409 -8.326 12.821 1.00 0.29 H new ATOM 0 HB THR A 59 9.472 -9.395 10.705 1.00 0.35 H new ATOM 0 HG1 THR A 59 6.725 -9.493 9.886 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.182 -11.471 11.050 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.585 -10.683 12.594 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.940 -10.547 11.928 1.00 0.38 H new ATOM 385 N LEU A 60 8.455 -5.873 10.828 1.00 0.26 N ATOM 386 CA LEU A 60 9.196 -4.694 10.392 1.00 0.27 C ATOM 387 C LEU A 60 9.141 -3.603 11.459 1.00 0.30 C ATOM 388 O LEU A 60 9.531 -2.458 11.216 1.00 0.38 O ATOM 389 CB LEU A 60 8.638 -4.168 9.063 1.00 0.29 C ATOM 390 CG LEU A 60 8.775 -5.129 7.875 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.188 -4.511 6.621 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.231 -5.512 7.652 1.00 1.22 C ATOM 0 H LEU A 60 7.444 -5.797 10.721 1.00 0.26 H new ATOM 0 HA LEU A 60 10.237 -4.980 10.241 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.583 -3.930 9.198 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.146 -3.236 8.817 1.00 0.29 H new ATOM 0 HG LEU A 60 8.218 -6.037 8.106 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.294 -5.207 5.789 1.00 1.37 H new ATOM 0 HD12 LEU A 60 7.132 -4.296 6.782 1.00 1.37 H new ATOM 0 HD13 LEU A 60 8.716 -3.586 6.390 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.302 -6.194 6.805 1.00 1.22 H new ATOM 0 HD22 LEU A 60 10.816 -4.615 7.446 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.619 -6.002 8.545 1.00 1.22 H new ATOM 404 N SER A 61 8.664 -3.986 12.643 1.00 0.27 N ATOM 405 CA SER A 61 8.571 -3.086 13.793 1.00 0.30 C ATOM 406 C SER A 61 7.569 -1.955 13.550 1.00 0.28 C ATOM 407 O SER A 61 7.937 -0.863 13.116 1.00 0.36 O ATOM 408 CB SER A 61 9.951 -2.516 14.143 1.00 0.41 C ATOM 409 OG SER A 61 10.887 -3.559 14.361 1.00 1.24 O ATOM 0 H SER A 61 8.330 -4.931 12.832 1.00 0.27 H new ATOM 0 HA SER A 61 8.207 -3.671 14.638 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.299 -1.872 13.335 1.00 0.41 H new ATOM 0 HB3 SER A 61 9.877 -1.895 15.036 1.00 0.41 H new ATOM 0 HG SER A 61 11.761 -3.174 14.581 1.00 1.24 H new ATOM 415 N PRO A 62 6.280 -2.210 13.819 1.00 0.24 N ATOM 416 CA PRO A 62 5.227 -1.219 13.662 1.00 0.29 C ATOM 417 C PRO A 62 5.079 -0.337 14.896 1.00 0.32 C ATOM 418 O PRO A 62 4.991 -0.836 16.024 1.00 0.47 O ATOM 419 CB PRO A 62 3.961 -2.058 13.468 1.00 0.35 C ATOM 420 CG PRO A 62 4.349 -3.487 13.707 1.00 0.33 C ATOM 421 CD PRO A 62 5.737 -3.483 14.287 1.00 0.23 C ATOM 0 HA PRO A 62 5.436 -0.539 12.836 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.181 -1.748 14.163 1.00 0.35 H new ATOM 0 HB3 PRO A 62 3.562 -1.929 12.462 1.00 0.35 H new ATOM 0 HG2 PRO A 62 3.648 -3.966 14.391 1.00 0.33 H new ATOM 0 HG3 PRO A 62 4.323 -4.053 12.776 1.00 0.33 H new ATOM 0 HD2 PRO A 62 5.721 -3.540 15.375 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.326 -4.329 13.932 1.00 0.23 H new ATOM 429 N VAL A 63 5.041 0.967 14.681 1.00 0.29 N ATOM 430 CA VAL A 63 4.849 1.913 15.764 1.00 0.36 C ATOM 431 C VAL A 63 3.494 2.592 15.620 1.00 0.37 C ATOM 432 O VAL A 63 3.280 3.379 14.695 1.00 0.38 O ATOM 433 CB VAL A 63 5.964 2.980 15.801 1.00 0.47 C ATOM 434 CG1 VAL A 63 5.762 3.935 16.969 1.00 1.02 C ATOM 435 CG2 VAL A 63 7.338 2.321 15.870 1.00 1.02 C ATOM 0 H VAL A 63 5.141 1.395 13.761 1.00 0.29 H new ATOM 0 HA VAL A 63 4.890 1.357 16.701 1.00 0.36 H new ATOM 0 HB VAL A 63 5.911 3.559 14.879 1.00 0.47 H new ATOM 0 HG11 VAL A 63 6.560 4.678 16.974 1.00 1.02 H new ATOM 0 HG12 VAL A 63 4.800 4.437 16.866 1.00 1.02 H new ATOM 0 HG13 VAL A 63 5.781 3.375 17.904 1.00 1.02 H new ATOM 0 HG21 VAL A 63 8.110 3.090 15.895 1.00 1.02 H new ATOM 0 HG22 VAL A 63 7.404 1.711 16.771 1.00 1.02 H new ATOM 0 HG23 VAL A 63 7.483 1.690 14.993 1.00 1.02 H new ATOM 445 N ASN A 64 2.575 2.239 16.514 1.00 0.44 N ATOM 446 CA ASN A 64 1.236 2.827 16.543 1.00 0.52 C ATOM 447 C ASN A 64 0.459 2.540 15.259 1.00 0.44 C ATOM 448 O ASN A 64 -0.398 3.323 14.855 1.00 0.50 O ATOM 449 CB ASN A 64 1.307 4.337 16.803 1.00 0.64 C ATOM 450 CG ASN A 64 1.721 4.658 18.230 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.409 3.914 19.160 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.425 5.759 18.418 1.00 1.31 N ATOM 0 H ASN A 64 2.735 1.539 17.238 1.00 0.44 H new ATOM 0 HA ASN A 64 0.696 2.357 17.365 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.017 4.790 16.111 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.334 4.785 16.600 1.00 0.64 H new ATOM 0 HD21 ASN A 64 2.728 6.016 19.357 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.666 6.352 17.624 1.00 1.31 H new ATOM 459 N GLY A 65 0.751 1.402 14.633 1.00 0.40 N ATOM 460 CA GLY A 65 -0.023 0.966 13.480 1.00 0.43 C ATOM 461 C GLY A 65 0.579 1.375 12.147 1.00 0.33 C ATOM 462 O GLY A 65 -0.005 1.114 11.097 1.00 0.35 O ATOM 0 H GLY A 65 1.508 0.774 14.902 1.00 0.40 H new ATOM 0 HA2 GLY A 65 -0.118 -0.120 13.507 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -1.030 1.376 13.554 1.00 0.43 H new ATOM 466 N LYS A 66 1.747 2.005 12.178 1.00 0.28 N ATOM 467 CA LYS A 66 2.438 2.395 10.953 1.00 0.26 C ATOM 468 C LYS A 66 3.887 1.922 10.984 1.00 0.23 C ATOM 469 O LYS A 66 4.481 1.792 12.058 1.00 0.27 O ATOM 470 CB LYS A 66 2.416 3.915 10.760 1.00 0.34 C ATOM 471 CG LYS A 66 1.034 4.504 10.522 1.00 0.64 C ATOM 472 CD LYS A 66 1.120 6.010 10.313 1.00 0.75 C ATOM 473 CE LYS A 66 -0.245 6.656 10.155 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.756 6.543 8.768 1.00 1.48 N ATOM 0 H LYS A 66 2.236 2.257 13.037 1.00 0.28 H new ATOM 0 HA LYS A 66 1.913 1.925 10.121 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.850 4.386 11.642 1.00 0.34 H new ATOM 0 HB3 LYS A 66 3.055 4.170 9.915 1.00 0.34 H new ATOM 0 HG2 LYS A 66 0.579 4.036 9.649 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.389 4.286 11.373 1.00 0.64 H new ATOM 0 HD2 LYS A 66 1.636 6.462 11.160 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.720 6.217 9.427 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -0.950 6.186 10.840 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -0.183 7.708 10.434 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -1.791 6.643 8.770 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -0.337 7.293 8.182 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -0.499 5.614 8.378 1.00 1.48 H new ATOM 488 N ILE A 67 4.446 1.650 9.816 1.00 0.25 N ATOM 489 CA ILE A 67 5.863 1.341 9.713 1.00 0.27 C ATOM 490 C ILE A 67 6.571 2.377 8.860 1.00 0.26 C ATOM 491 O ILE A 67 5.945 3.089 8.060 1.00 0.29 O ATOM 492 CB ILE A 67 6.142 -0.058 9.121 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.546 -0.193 7.713 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.624 -1.144 10.053 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.831 -1.527 7.062 1.00 0.64 C ATOM 0 H ILE A 67 3.943 1.637 8.929 1.00 0.25 H new ATOM 0 HA ILE A 67 6.245 1.353 10.734 1.00 0.27 H new ATOM 0 HB ILE A 67 7.221 -0.182 9.028 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.467 -0.048 7.769 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.942 0.602 7.082 1.00 0.28 H new ATOM 0 HG21 ILE A 67 5.829 -2.123 9.620 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.122 -1.063 11.019 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.549 -1.025 10.188 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.380 -1.552 6.070 1.00 0.64 H new ATOM 0 HD12 ILE A 67 6.909 -1.666 6.974 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.410 -2.327 7.672 1.00 0.64 H new ATOM 507 N THR A 68 7.882 2.445 9.038 1.00 0.32 N ATOM 508 CA THR A 68 8.716 3.362 8.293 1.00 0.36 C ATOM 509 C THR A 68 8.858 2.908 6.840 1.00 0.33 C ATOM 510 O THR A 68 8.789 1.710 6.542 1.00 0.33 O ATOM 511 CB THR A 68 10.111 3.468 8.946 1.00 0.45 C ATOM 512 OG1 THR A 68 10.642 2.161 9.195 1.00 0.55 O ATOM 513 CG2 THR A 68 10.039 4.236 10.255 1.00 0.50 C ATOM 0 H THR A 68 8.392 1.864 9.704 1.00 0.32 H new ATOM 0 HA THR A 68 8.239 4.342 8.307 1.00 0.36 H new ATOM 0 HB THR A 68 10.764 4.003 8.257 1.00 0.45 H new ATOM 0 HG1 THR A 68 11.527 2.241 9.608 1.00 0.55 H new ATOM 0 HG21 THR A 68 11.034 4.297 10.696 1.00 0.50 H new ATOM 0 HG22 THR A 68 9.663 5.242 10.067 1.00 0.50 H new ATOM 0 HG23 THR A 68 9.368 3.721 10.943 1.00 0.50 H new ATOM 521 N GLY A 69 9.066 3.865 5.939 1.00 0.37 N ATOM 522 CA GLY A 69 9.215 3.541 4.537 1.00 0.41 C ATOM 523 C GLY A 69 10.528 2.848 4.263 1.00 0.35 C ATOM 524 O GLY A 69 10.746 2.330 3.178 1.00 0.37 O ATOM 0 H GLY A 69 9.133 4.859 6.159 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.392 2.900 4.222 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.154 4.453 3.944 1.00 0.41 H new ATOM 528 N ALA A 70 11.397 2.845 5.262 1.00 0.33 N ATOM 529 CA ALA A 70 12.692 2.194 5.163 1.00 0.33 C ATOM 530 C ALA A 70 12.546 0.679 5.145 1.00 0.31 C ATOM 531 O ALA A 70 13.216 -0.013 4.384 1.00 0.34 O ATOM 532 CB ALA A 70 13.579 2.627 6.315 1.00 0.38 C ATOM 0 H ALA A 70 11.224 3.293 6.162 1.00 0.33 H new ATOM 0 HA ALA A 70 13.156 2.495 4.224 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.548 2.134 6.233 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.717 3.708 6.281 1.00 0.38 H new ATOM 0 HB3 ALA A 70 13.110 2.350 7.259 1.00 0.38 H new ATOM 538 N ASN A 71 11.650 0.174 5.975 1.00 0.33 N ATOM 539 CA ASN A 71 11.433 -1.262 6.084 1.00 0.36 C ATOM 540 C ASN A 71 10.532 -1.747 4.960 1.00 0.32 C ATOM 541 O ASN A 71 10.687 -2.865 4.465 1.00 0.32 O ATOM 542 CB ASN A 71 10.849 -1.603 7.455 1.00 0.46 C ATOM 543 CG ASN A 71 11.893 -1.480 8.546 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.551 -2.458 8.908 1.00 1.81 O ATOM 545 ND2 ASN A 71 12.074 -0.271 9.057 1.00 0.61 N ATOM 0 H ASN A 71 11.058 0.737 6.586 1.00 0.33 H new ATOM 0 HA ASN A 71 12.389 -1.776 5.988 1.00 0.36 H new ATOM 0 HB2 ASN A 71 10.013 -0.938 7.672 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.453 -2.618 7.441 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.780 -0.123 9.778 1.00 0.61 H new ATOM 0 HD22 ASN A 71 11.508 0.511 8.729 1.00 0.61 H new ATOM 552 N ALA A 72 9.602 -0.892 4.548 1.00 0.32 N ATOM 553 CA ALA A 72 8.799 -1.160 3.366 1.00 0.33 C ATOM 554 C ALA A 72 9.705 -1.223 2.141 1.00 0.30 C ATOM 555 O ALA A 72 9.608 -2.138 1.328 1.00 0.32 O ATOM 556 CB ALA A 72 7.738 -0.084 3.192 1.00 0.39 C ATOM 0 H ALA A 72 9.388 -0.011 5.015 1.00 0.32 H new ATOM 0 HA ALA A 72 8.293 -2.118 3.484 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.145 -0.298 2.303 1.00 0.39 H new ATOM 0 HB2 ALA A 72 7.088 -0.069 4.067 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.220 0.887 3.081 1.00 0.39 H new ATOM 562 N LYS A 73 10.597 -0.239 2.043 1.00 0.29 N ATOM 563 CA LYS A 73 11.625 -0.188 1.003 1.00 0.30 C ATOM 564 C LYS A 73 12.408 -1.497 0.964 1.00 0.26 C ATOM 565 O LYS A 73 12.676 -2.044 -0.103 1.00 0.27 O ATOM 566 CB LYS A 73 12.567 0.984 1.308 1.00 0.36 C ATOM 567 CG LYS A 73 13.662 1.243 0.283 1.00 0.47 C ATOM 568 CD LYS A 73 14.600 2.331 0.788 1.00 0.67 C ATOM 569 CE LYS A 73 15.692 2.681 -0.213 1.00 0.84 C ATOM 570 NZ LYS A 73 15.174 3.425 -1.390 1.00 0.76 N ATOM 0 H LYS A 73 10.628 0.551 2.687 1.00 0.29 H new ATOM 0 HA LYS A 73 11.157 -0.046 0.029 1.00 0.30 H new ATOM 0 HB2 LYS A 73 11.968 1.889 1.407 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.037 0.805 2.275 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.222 0.326 0.097 1.00 0.47 H new ATOM 0 HG3 LYS A 73 13.219 1.545 -0.666 1.00 0.47 H new ATOM 0 HD2 LYS A 73 14.021 3.226 1.015 1.00 0.67 H new ATOM 0 HD3 LYS A 73 15.060 2.004 1.720 1.00 0.67 H new ATOM 0 HE2 LYS A 73 16.455 3.280 0.283 1.00 0.84 H new ATOM 0 HE3 LYS A 73 16.176 1.765 -0.552 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 15.944 3.979 -1.817 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.803 2.752 -2.090 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 14.412 4.066 -1.088 1.00 0.76 H new ATOM 584 N LYS A 74 12.748 -1.988 2.148 1.00 0.26 N ATOM 585 CA LYS A 74 13.479 -3.238 2.300 1.00 0.29 C ATOM 586 C LYS A 74 12.714 -4.411 1.682 1.00 0.29 C ATOM 587 O LYS A 74 13.275 -5.176 0.904 1.00 0.35 O ATOM 588 CB LYS A 74 13.744 -3.480 3.786 1.00 0.34 C ATOM 589 CG LYS A 74 14.479 -4.767 4.105 1.00 1.03 C ATOM 590 CD LYS A 74 14.903 -4.784 5.567 1.00 1.05 C ATOM 591 CE LYS A 74 13.710 -4.666 6.504 1.00 1.63 C ATOM 592 NZ LYS A 74 14.133 -4.475 7.914 1.00 1.95 N ATOM 0 H LYS A 74 12.524 -1.530 3.031 1.00 0.26 H new ATOM 0 HA LYS A 74 14.428 -3.162 1.769 1.00 0.29 H new ATOM 0 HB2 LYS A 74 14.322 -2.643 4.178 1.00 0.34 H new ATOM 0 HB3 LYS A 74 12.790 -3.484 4.314 1.00 0.34 H new ATOM 0 HG2 LYS A 74 13.837 -5.622 3.896 1.00 1.03 H new ATOM 0 HG3 LYS A 74 15.355 -4.862 3.464 1.00 1.03 H new ATOM 0 HD2 LYS A 74 15.441 -5.708 5.778 1.00 1.05 H new ATOM 0 HD3 LYS A 74 15.595 -3.963 5.754 1.00 1.05 H new ATOM 0 HE2 LYS A 74 13.087 -3.827 6.195 1.00 1.63 H new ATOM 0 HE3 LYS A 74 13.097 -5.564 6.427 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 14.026 -5.370 8.433 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 15.129 -4.176 7.940 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 13.541 -3.745 8.358 1.00 1.95 H new ATOM 606 N GLU A 75 11.440 -4.539 2.028 1.00 0.31 N ATOM 607 CA GLU A 75 10.585 -5.584 1.456 1.00 0.35 C ATOM 608 C GLU A 75 10.510 -5.442 -0.068 1.00 0.32 C ATOM 609 O GLU A 75 10.706 -6.407 -0.814 1.00 0.35 O ATOM 610 CB GLU A 75 9.181 -5.494 2.081 1.00 0.41 C ATOM 611 CG GLU A 75 8.050 -6.051 1.220 1.00 0.59 C ATOM 612 CD GLU A 75 8.032 -7.565 1.129 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.733 -8.125 0.266 1.00 1.60 O ATOM 614 OE2 GLU A 75 7.275 -8.199 1.891 1.00 1.09 O ATOM 0 H GLU A 75 10.971 -3.934 2.702 1.00 0.31 H new ATOM 0 HA GLU A 75 11.013 -6.561 1.680 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.189 -6.027 3.032 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.966 -4.449 2.304 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.097 -5.710 1.625 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.135 -5.638 0.215 1.00 0.59 H new ATOM 621 N MET A 76 10.259 -4.219 -0.513 1.00 0.29 N ATOM 622 CA MET A 76 10.109 -3.920 -1.933 1.00 0.30 C ATOM 623 C MET A 76 11.335 -4.368 -2.732 1.00 0.30 C ATOM 624 O MET A 76 11.204 -5.026 -3.767 1.00 0.38 O ATOM 625 CB MET A 76 9.882 -2.421 -2.122 1.00 0.39 C ATOM 626 CG MET A 76 8.578 -1.918 -1.523 1.00 0.56 C ATOM 627 SD MET A 76 7.145 -2.279 -2.549 1.00 1.04 S ATOM 628 CE MET A 76 7.501 -1.276 -3.986 1.00 1.24 C ATOM 0 H MET A 76 10.154 -3.408 0.096 1.00 0.29 H new ATOM 0 HA MET A 76 9.247 -4.472 -2.307 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.712 -1.877 -1.671 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.894 -2.193 -3.188 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.438 -2.370 -0.541 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.647 -0.841 -1.371 1.00 0.56 H new ATOM 0 HE1 MET A 76 6.759 -0.482 -4.068 1.00 1.24 H new ATOM 0 HE2 MET A 76 8.493 -0.837 -3.886 1.00 1.24 H new ATOM 0 HE3 MET A 76 7.468 -1.898 -4.881 1.00 1.24 H new ATOM 638 N VAL A 77 12.526 -4.035 -2.239 1.00 0.29 N ATOM 639 CA VAL A 77 13.754 -4.364 -2.940 1.00 0.35 C ATOM 640 C VAL A 77 14.104 -5.849 -2.803 1.00 0.33 C ATOM 641 O VAL A 77 14.856 -6.391 -3.615 1.00 0.37 O ATOM 642 CB VAL A 77 14.938 -3.495 -2.462 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.640 -2.020 -2.674 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.287 -3.766 -1.007 1.00 1.14 C ATOM 0 H VAL A 77 12.661 -3.539 -1.358 1.00 0.29 H new ATOM 0 HA VAL A 77 13.576 -4.149 -3.994 1.00 0.35 H new ATOM 0 HB VAL A 77 15.806 -3.767 -3.063 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.486 -1.425 -2.331 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.470 -1.832 -3.734 1.00 1.57 H new ATOM 0 HG13 VAL A 77 13.750 -1.744 -2.109 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.125 -3.135 -0.710 1.00 1.14 H new ATOM 0 HG22 VAL A 77 14.425 -3.544 -0.379 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.562 -4.814 -0.888 1.00 1.14 H new ATOM 654 N LYS A 78 13.555 -6.515 -1.786 1.00 0.36 N ATOM 655 CA LYS A 78 13.741 -7.958 -1.644 1.00 0.45 C ATOM 656 C LYS A 78 12.920 -8.697 -2.688 1.00 0.42 C ATOM 657 O LYS A 78 13.273 -9.795 -3.113 1.00 0.47 O ATOM 658 CB LYS A 78 13.348 -8.451 -0.245 1.00 0.61 C ATOM 659 CG LYS A 78 14.305 -8.041 0.863 1.00 0.71 C ATOM 660 CD LYS A 78 15.754 -8.257 0.462 1.00 1.25 C ATOM 661 CE LYS A 78 16.684 -8.178 1.661 1.00 1.79 C ATOM 662 NZ LYS A 78 16.619 -9.408 2.498 1.00 2.79 N ATOM 0 H LYS A 78 12.985 -6.084 -1.058 1.00 0.36 H new ATOM 0 HA LYS A 78 14.801 -8.164 -1.791 1.00 0.45 H new ATOM 0 HB2 LYS A 78 12.354 -8.073 -0.007 1.00 0.61 H new ATOM 0 HB3 LYS A 78 13.279 -9.539 -0.264 1.00 0.61 H new ATOM 0 HG2 LYS A 78 14.148 -6.991 1.109 1.00 0.71 H new ATOM 0 HG3 LYS A 78 14.087 -8.615 1.763 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.858 -9.231 -0.017 1.00 1.25 H new ATOM 0 HD3 LYS A 78 16.044 -7.507 -0.274 1.00 1.25 H new ATOM 0 HE2 LYS A 78 17.707 -8.027 1.317 1.00 1.79 H new ATOM 0 HE3 LYS A 78 16.421 -7.312 2.268 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 17.362 -9.373 3.225 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 15.688 -9.467 2.957 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 16.762 -10.245 1.897 1.00 2.79 H new ATOM 676 N SER A 79 11.833 -8.076 -3.111 1.00 0.40 N ATOM 677 CA SER A 79 10.967 -8.663 -4.118 1.00 0.43 C ATOM 678 C SER A 79 11.461 -8.342 -5.532 1.00 0.38 C ATOM 679 O SER A 79 10.796 -8.657 -6.519 1.00 0.44 O ATOM 680 CB SER A 79 9.540 -8.172 -3.911 1.00 0.54 C ATOM 681 OG SER A 79 9.048 -8.572 -2.635 1.00 1.27 O ATOM 0 H SER A 79 11.529 -7.163 -2.772 1.00 0.40 H new ATOM 0 HA SER A 79 10.988 -9.747 -4.009 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.509 -7.086 -3.994 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.896 -8.570 -4.695 1.00 0.54 H new ATOM 0 HG SER A 79 9.375 -7.953 -1.949 1.00 1.27 H new ATOM 687 N LYS A 80 12.624 -7.692 -5.606 1.00 0.39 N ATOM 688 CA LYS A 80 13.340 -7.493 -6.869 1.00 0.42 C ATOM 689 C LYS A 80 12.563 -6.651 -7.879 1.00 0.35 C ATOM 690 O LYS A 80 12.717 -6.833 -9.091 1.00 0.45 O ATOM 691 CB LYS A 80 13.693 -8.846 -7.495 1.00 0.54 C ATOM 692 CG LYS A 80 14.794 -9.590 -6.760 1.00 0.85 C ATOM 693 CD LYS A 80 16.104 -8.807 -6.752 1.00 1.32 C ATOM 694 CE LYS A 80 16.851 -8.893 -8.080 1.00 2.10 C ATOM 695 NZ LYS A 80 16.117 -8.259 -9.206 1.00 2.97 N ATOM 0 H LYS A 80 13.095 -7.290 -4.796 1.00 0.39 H new ATOM 0 HA LYS A 80 14.247 -6.940 -6.623 1.00 0.42 H new ATOM 0 HB2 LYS A 80 12.799 -9.469 -7.519 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.000 -8.689 -8.529 1.00 0.54 H new ATOM 0 HG2 LYS A 80 14.480 -9.782 -5.734 1.00 0.85 H new ATOM 0 HG3 LYS A 80 14.954 -10.560 -7.231 1.00 0.85 H new ATOM 0 HD2 LYS A 80 15.896 -7.762 -6.524 1.00 1.32 H new ATOM 0 HD3 LYS A 80 16.744 -9.186 -5.955 1.00 1.32 H new ATOM 0 HE2 LYS A 80 17.824 -8.414 -7.974 1.00 2.10 H new ATOM 0 HE3 LYS A 80 17.035 -9.940 -8.319 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 16.797 -7.832 -9.867 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 15.556 -8.979 -9.704 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 15.484 -7.522 -8.836 1.00 2.97 H new ATOM 709 N LEU A 81 11.767 -5.713 -7.396 1.00 0.31 N ATOM 710 CA LEU A 81 11.043 -4.820 -8.291 1.00 0.30 C ATOM 711 C LEU A 81 11.904 -3.609 -8.643 1.00 0.30 C ATOM 712 O LEU A 81 12.576 -3.046 -7.776 1.00 0.41 O ATOM 713 CB LEU A 81 9.716 -4.372 -7.664 1.00 0.37 C ATOM 714 CG LEU A 81 8.689 -5.487 -7.439 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.425 -4.926 -6.800 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.357 -6.190 -8.754 1.00 0.47 C ATOM 0 H LEU A 81 11.605 -5.549 -6.402 1.00 0.31 H new ATOM 0 HA LEU A 81 10.816 -5.366 -9.207 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.928 -3.897 -6.706 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.269 -3.612 -8.305 1.00 0.37 H new ATOM 0 HG LEU A 81 9.124 -6.221 -6.760 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.706 -5.731 -6.647 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.673 -4.474 -5.840 1.00 0.52 H new ATOM 0 HD13 LEU A 81 6.990 -4.171 -7.455 1.00 0.52 H new ATOM 0 HD21 LEU A 81 7.626 -6.978 -8.571 1.00 0.47 H new ATOM 0 HD22 LEU A 81 7.944 -5.468 -9.458 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.264 -6.627 -9.172 1.00 0.47 H new ATOM 728 N PRO A 82 11.915 -3.211 -9.927 1.00 0.28 N ATOM 729 CA PRO A 82 12.670 -2.041 -10.390 1.00 0.34 C ATOM 730 C PRO A 82 12.239 -0.762 -9.674 1.00 0.33 C ATOM 731 O PRO A 82 11.091 -0.649 -9.239 1.00 0.27 O ATOM 732 CB PRO A 82 12.332 -1.953 -11.883 1.00 0.43 C ATOM 733 CG PRO A 82 11.867 -3.319 -12.257 1.00 0.44 C ATOM 734 CD PRO A 82 11.199 -3.875 -11.032 1.00 0.37 C ATOM 0 HA PRO A 82 13.737 -2.143 -10.191 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.558 -1.208 -12.069 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.204 -1.659 -12.468 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.173 -3.279 -13.097 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.704 -3.946 -12.565 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.133 -3.647 -11.016 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.294 -4.960 -10.979 1.00 0.37 H new ATOM 742 N ASN A 83 13.156 0.199 -9.571 1.00 0.44 N ATOM 743 CA ASN A 83 12.901 1.454 -8.855 1.00 0.49 C ATOM 744 C ASN A 83 11.662 2.164 -9.388 1.00 0.42 C ATOM 745 O ASN A 83 10.934 2.812 -8.634 1.00 0.41 O ATOM 746 CB ASN A 83 14.113 2.388 -8.953 1.00 0.64 C ATOM 747 CG ASN A 83 15.375 1.776 -8.374 1.00 1.05 C ATOM 748 OD1 ASN A 83 16.147 1.130 -9.083 1.00 1.85 O ATOM 749 ND2 ASN A 83 15.601 1.980 -7.083 1.00 1.79 N ATOM 0 H ASN A 83 14.090 0.134 -9.977 1.00 0.44 H new ATOM 0 HA ASN A 83 12.725 1.199 -7.810 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.285 2.644 -9.998 1.00 0.64 H new ATOM 0 HB3 ASN A 83 13.892 3.318 -8.429 1.00 0.64 H new ATOM 0 HD21 ASN A 83 16.438 1.596 -6.645 1.00 1.79 H new ATOM 0 HD22 ASN A 83 14.938 2.521 -6.528 1.00 1.79 H new ATOM 756 N THR A 84 11.422 2.032 -10.685 1.00 0.43 N ATOM 757 CA THR A 84 10.245 2.605 -11.310 1.00 0.45 C ATOM 758 C THR A 84 8.972 1.965 -10.753 1.00 0.35 C ATOM 759 O THR A 84 8.017 2.655 -10.383 1.00 0.34 O ATOM 760 CB THR A 84 10.310 2.399 -12.833 1.00 0.59 C ATOM 761 OG1 THR A 84 10.758 1.064 -13.109 1.00 1.47 O ATOM 762 CG2 THR A 84 11.257 3.400 -13.479 1.00 1.27 C ATOM 0 H THR A 84 12.034 1.528 -11.327 1.00 0.43 H new ATOM 0 HA THR A 84 10.221 3.672 -11.090 1.00 0.45 H new ATOM 0 HB THR A 84 9.315 2.554 -13.249 1.00 0.59 H new ATOM 0 HG1 THR A 84 10.800 0.927 -14.078 1.00 1.47 H new ATOM 0 HG21 THR A 84 11.284 3.232 -14.556 1.00 1.27 H new ATOM 0 HG22 THR A 84 10.908 4.413 -13.278 1.00 1.27 H new ATOM 0 HG23 THR A 84 12.258 3.273 -13.066 1.00 1.27 H new ATOM 770 N VAL A 85 8.983 0.638 -10.674 1.00 0.32 N ATOM 771 CA VAL A 85 7.849 -0.120 -10.169 1.00 0.32 C ATOM 772 C VAL A 85 7.672 0.112 -8.669 1.00 0.26 C ATOM 773 O VAL A 85 6.551 0.120 -8.158 1.00 0.31 O ATOM 774 CB VAL A 85 8.022 -1.628 -10.454 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.805 -2.415 -9.992 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.278 -1.854 -11.937 1.00 0.45 C ATOM 0 H VAL A 85 9.776 0.062 -10.957 1.00 0.32 H new ATOM 0 HA VAL A 85 6.956 0.229 -10.687 1.00 0.32 H new ATOM 0 HB VAL A 85 8.883 -1.988 -9.891 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.954 -3.474 -10.205 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.668 -2.276 -8.920 1.00 0.44 H new ATOM 0 HG13 VAL A 85 5.920 -2.060 -10.520 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.399 -2.921 -12.127 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.434 -1.476 -12.514 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.185 -1.328 -12.234 1.00 0.45 H new ATOM 786 N LEU A 86 8.786 0.317 -7.973 1.00 0.24 N ATOM 787 CA LEU A 86 8.755 0.632 -6.550 1.00 0.28 C ATOM 788 C LEU A 86 7.923 1.889 -6.309 1.00 0.24 C ATOM 789 O LEU A 86 7.059 1.921 -5.423 1.00 0.28 O ATOM 790 CB LEU A 86 10.177 0.830 -6.007 1.00 0.37 C ATOM 791 CG LEU A 86 11.130 -0.357 -6.182 1.00 0.51 C ATOM 792 CD1 LEU A 86 12.492 -0.044 -5.576 1.00 0.90 C ATOM 793 CD2 LEU A 86 10.548 -1.615 -5.560 1.00 0.82 C ATOM 0 H LEU A 86 9.723 0.270 -8.373 1.00 0.24 H new ATOM 0 HA LEU A 86 8.297 -0.205 -6.022 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.615 1.699 -6.498 1.00 0.37 H new ATOM 0 HB3 LEU A 86 10.110 1.064 -4.945 1.00 0.37 H new ATOM 0 HG LEU A 86 11.259 -0.533 -7.250 1.00 0.51 H new ATOM 0 HD11 LEU A 86 13.155 -0.899 -5.710 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.919 0.828 -6.072 1.00 0.90 H new ATOM 0 HD13 LEU A 86 12.378 0.163 -4.512 1.00 0.90 H new ATOM 0 HD21 LEU A 86 11.243 -2.444 -5.697 1.00 0.82 H new ATOM 0 HD22 LEU A 86 10.384 -1.452 -4.495 1.00 0.82 H new ATOM 0 HD23 LEU A 86 9.599 -1.853 -6.041 1.00 0.82 H new ATOM 805 N GLY A 87 8.176 2.916 -7.118 1.00 0.23 N ATOM 806 CA GLY A 87 7.423 4.151 -7.009 1.00 0.26 C ATOM 807 C GLY A 87 5.970 3.955 -7.393 1.00 0.27 C ATOM 808 O GLY A 87 5.076 4.572 -6.811 1.00 0.32 O ATOM 0 H GLY A 87 8.890 2.913 -7.847 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.482 4.525 -5.987 1.00 0.26 H new ATOM 0 HA3 GLY A 87 7.871 4.909 -7.652 1.00 0.26 H new ATOM 812 N LYS A 88 5.741 3.086 -8.378 1.00 0.27 N ATOM 813 CA LYS A 88 4.390 2.717 -8.797 1.00 0.36 C ATOM 814 C LYS A 88 3.594 2.154 -7.625 1.00 0.33 C ATOM 815 O LYS A 88 2.488 2.613 -7.332 1.00 0.35 O ATOM 816 CB LYS A 88 4.458 1.673 -9.918 1.00 0.50 C ATOM 817 CG LYS A 88 4.824 2.240 -11.282 1.00 0.74 C ATOM 818 CD LYS A 88 3.608 2.827 -11.986 1.00 1.03 C ATOM 819 CE LYS A 88 3.950 3.305 -13.391 1.00 1.50 C ATOM 820 NZ LYS A 88 2.737 3.514 -14.227 1.00 1.89 N ATOM 0 H LYS A 88 6.481 2.621 -8.904 1.00 0.27 H new ATOM 0 HA LYS A 88 3.888 3.613 -9.161 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.190 0.912 -9.646 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.492 1.174 -9.993 1.00 0.50 H new ATOM 0 HG2 LYS A 88 5.585 3.011 -11.164 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.259 1.454 -11.899 1.00 0.74 H new ATOM 0 HD2 LYS A 88 2.820 2.076 -12.038 1.00 1.03 H new ATOM 0 HD3 LYS A 88 3.216 3.660 -11.403 1.00 1.03 H new ATOM 0 HE2 LYS A 88 4.511 4.238 -13.329 1.00 1.50 H new ATOM 0 HE3 LYS A 88 4.599 2.574 -13.873 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 3.016 3.887 -15.157 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 2.241 2.608 -14.352 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 2.104 4.193 -13.757 1.00 1.89 H new ATOM 834 N ILE A 89 4.176 1.163 -6.960 1.00 0.34 N ATOM 835 CA ILE A 89 3.523 0.488 -5.849 1.00 0.38 C ATOM 836 C ILE A 89 3.226 1.466 -4.715 1.00 0.30 C ATOM 837 O ILE A 89 2.113 1.489 -4.198 1.00 0.31 O ATOM 838 CB ILE A 89 4.377 -0.680 -5.308 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.691 -1.689 -6.422 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.667 -1.370 -4.153 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.463 -2.301 -7.063 1.00 0.71 C ATOM 0 H ILE A 89 5.108 0.808 -7.175 1.00 0.34 H new ATOM 0 HA ILE A 89 2.586 0.083 -6.231 1.00 0.38 H new ATOM 0 HB ILE A 89 5.319 -0.270 -4.942 1.00 0.49 H new ATOM 0 HG12 ILE A 89 5.281 -1.192 -7.192 1.00 0.59 H new ATOM 0 HG13 ILE A 89 5.310 -2.487 -6.012 1.00 0.59 H new ATOM 0 HG21 ILE A 89 4.283 -2.190 -3.785 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.499 -0.653 -3.349 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.710 -1.762 -4.496 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.769 -3.002 -7.839 1.00 0.71 H new ATOM 0 HD12 ILE A 89 2.882 -2.828 -6.306 1.00 0.71 H new ATOM 0 HD13 ILE A 89 2.853 -1.514 -7.505 1.00 0.71 H new ATOM 853 N TRP A 90 4.211 2.284 -4.344 1.00 0.27 N ATOM 854 CA TRP A 90 4.012 3.259 -3.275 1.00 0.23 C ATOM 855 C TRP A 90 2.872 4.221 -3.616 1.00 0.26 C ATOM 856 O TRP A 90 1.998 4.483 -2.788 1.00 0.29 O ATOM 857 CB TRP A 90 5.298 4.045 -3.009 1.00 0.25 C ATOM 858 CG TRP A 90 5.198 4.955 -1.817 1.00 0.24 C ATOM 859 CD1 TRP A 90 4.746 6.243 -1.802 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.562 4.644 -0.465 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.796 6.746 -0.523 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.298 5.786 0.316 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.084 3.509 0.160 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.540 5.826 1.687 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.325 3.547 1.518 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.054 4.699 2.271 1.00 0.33 C ATOM 0 H TRP A 90 5.142 2.291 -4.762 1.00 0.27 H new ATOM 0 HA TRP A 90 3.744 2.710 -2.372 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.119 3.345 -2.856 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.544 4.637 -3.891 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.400 6.787 -2.668 1.00 0.29 H new ATOM 0 HE1 TRP A 90 4.506 7.683 -0.244 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.295 2.617 -0.410 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.330 6.712 2.268 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.729 2.675 2.010 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.255 4.697 3.332 1.00 0.33 H new ATOM 877 N LYS A 91 2.898 4.735 -4.843 1.00 0.30 N ATOM 878 CA LYS A 91 1.865 5.643 -5.344 1.00 0.41 C ATOM 879 C LYS A 91 0.464 5.048 -5.208 1.00 0.41 C ATOM 880 O LYS A 91 -0.495 5.760 -4.910 1.00 0.47 O ATOM 881 CB LYS A 91 2.144 5.973 -6.810 1.00 0.58 C ATOM 882 CG LYS A 91 0.997 6.671 -7.522 1.00 0.90 C ATOM 883 CD LYS A 91 1.342 6.927 -8.975 1.00 1.49 C ATOM 884 CE LYS A 91 2.135 8.213 -9.150 1.00 2.16 C ATOM 885 NZ LYS A 91 1.289 9.419 -8.922 1.00 2.70 N ATOM 0 H LYS A 91 3.635 4.535 -5.519 1.00 0.30 H new ATOM 0 HA LYS A 91 1.898 6.550 -4.741 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.030 6.606 -6.866 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.378 5.050 -7.340 1.00 0.58 H new ATOM 0 HG2 LYS A 91 0.098 6.058 -7.460 1.00 0.90 H new ATOM 0 HG3 LYS A 91 0.775 7.615 -7.024 1.00 0.90 H new ATOM 0 HD2 LYS A 91 1.919 6.088 -9.365 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.425 6.983 -9.562 1.00 1.49 H new ATOM 0 HE2 LYS A 91 2.974 8.220 -8.454 1.00 2.16 H new ATOM 0 HE3 LYS A 91 2.554 8.248 -10.155 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 1.754 10.252 -9.335 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 0.361 9.282 -9.371 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 1.161 9.565 -7.900 1.00 2.70 H new ATOM 899 N LEU A 92 0.349 3.748 -5.437 1.00 0.40 N ATOM 900 CA LEU A 92 -0.947 3.086 -5.402 1.00 0.47 C ATOM 901 C LEU A 92 -1.323 2.652 -3.988 1.00 0.46 C ATOM 902 O LEU A 92 -2.505 2.592 -3.644 1.00 0.61 O ATOM 903 CB LEU A 92 -0.948 1.867 -6.329 1.00 0.54 C ATOM 904 CG LEU A 92 -0.711 2.169 -7.811 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.681 0.876 -8.615 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.782 3.113 -8.341 1.00 1.66 C ATOM 0 H LEU A 92 1.134 3.132 -5.648 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.689 3.807 -5.745 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.179 1.173 -5.990 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -1.906 1.356 -6.228 1.00 0.54 H new ATOM 0 HG LEU A 92 0.256 2.661 -7.917 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -0.512 1.106 -9.667 1.00 1.51 H new ATOM 0 HD12 LEU A 92 0.124 0.238 -8.249 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.633 0.357 -8.506 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.598 3.317 -9.396 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.763 2.651 -8.226 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.753 4.047 -7.781 1.00 1.66 H new ATOM 918 N ALA A 93 -0.322 2.349 -3.179 1.00 0.37 N ATOM 919 CA ALA A 93 -0.556 1.834 -1.840 1.00 0.42 C ATOM 920 C ALA A 93 -0.909 2.944 -0.859 1.00 0.38 C ATOM 921 O ALA A 93 -1.811 2.788 -0.034 1.00 0.43 O ATOM 922 CB ALA A 93 0.666 1.076 -1.352 1.00 0.47 C ATOM 0 H ALA A 93 0.662 2.451 -3.426 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.408 1.156 -1.892 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.480 0.694 -0.348 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.870 0.243 -2.025 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.526 1.746 -1.332 1.00 0.47 H new ATOM 928 N ASP A 94 -0.205 4.064 -0.945 1.00 0.33 N ATOM 929 CA ASP A 94 -0.442 5.161 -0.022 1.00 0.35 C ATOM 930 C ASP A 94 -1.246 6.258 -0.705 1.00 0.32 C ATOM 931 O ASP A 94 -0.697 7.115 -1.391 1.00 0.37 O ATOM 932 CB ASP A 94 0.872 5.717 0.525 1.00 0.37 C ATOM 933 CG ASP A 94 0.721 6.195 1.949 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.224 7.312 2.167 1.00 0.79 O ATOM 935 OD2 ASP A 94 1.126 5.495 2.879 1.00 0.46 O ATOM 0 H ASP A 94 0.526 4.235 -1.636 1.00 0.33 H new ATOM 0 HA ASP A 94 -1.017 4.778 0.821 1.00 0.35 H new ATOM 0 HB2 ASP A 94 1.642 4.946 0.479 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.209 6.542 -0.103 1.00 0.37 H new ATOM 940 N VAL A 95 -2.558 6.206 -0.512 1.00 0.35 N ATOM 941 CA VAL A 95 -3.488 7.105 -1.191 1.00 0.42 C ATOM 942 C VAL A 95 -3.317 8.545 -0.722 1.00 0.50 C ATOM 943 O VAL A 95 -3.353 9.483 -1.522 1.00 0.61 O ATOM 944 CB VAL A 95 -4.949 6.660 -0.956 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.912 7.503 -1.779 1.00 0.59 C ATOM 946 CG2 VAL A 95 -5.115 5.181 -1.277 1.00 0.51 C ATOM 0 H VAL A 95 -3.008 5.542 0.118 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.261 7.057 -2.256 1.00 0.42 H new ATOM 0 HB VAL A 95 -5.186 6.811 0.097 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.934 7.171 -1.596 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.815 8.550 -1.493 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.678 7.393 -2.838 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -6.150 4.885 -1.106 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.855 5.004 -2.321 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -4.459 4.593 -0.635 1.00 0.51 H new ATOM 956 N ASP A 96 -3.115 8.718 0.574 1.00 0.49 N ATOM 957 CA ASP A 96 -3.023 10.047 1.157 1.00 0.59 C ATOM 958 C ASP A 96 -1.588 10.541 1.156 1.00 0.53 C ATOM 959 O ASP A 96 -1.342 11.748 1.225 1.00 0.67 O ATOM 960 CB ASP A 96 -3.598 10.055 2.576 1.00 0.66 C ATOM 961 CG ASP A 96 -2.860 9.129 3.530 1.00 0.64 C ATOM 962 OD1 ASP A 96 -2.769 7.912 3.243 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.408 9.606 4.586 1.00 0.96 O ATOM 0 H ASP A 96 -3.012 7.955 1.243 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.614 10.727 0.544 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.564 11.071 2.968 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.648 9.763 2.537 1.00 0.66 H new ATOM 968 N LYS A 97 -0.651 9.602 1.044 1.00 0.40 N ATOM 969 CA LYS A 97 0.774 9.911 0.966 1.00 0.43 C ATOM 970 C LYS A 97 1.275 10.515 2.272 1.00 0.37 C ATOM 971 O LYS A 97 1.763 11.647 2.298 1.00 0.54 O ATOM 972 CB LYS A 97 1.054 10.863 -0.197 1.00 0.65 C ATOM 973 CG LYS A 97 0.650 10.312 -1.555 1.00 0.87 C ATOM 974 CD LYS A 97 0.665 11.397 -2.625 1.00 1.21 C ATOM 975 CE LYS A 97 -0.599 12.252 -2.603 1.00 2.08 C ATOM 976 NZ LYS A 97 -0.765 13.006 -1.330 1.00 2.96 N ATOM 0 H LYS A 97 -0.859 8.604 1.005 1.00 0.40 H new ATOM 0 HA LYS A 97 1.310 8.978 0.793 1.00 0.43 H new ATOM 0 HB2 LYS A 97 0.523 11.799 -0.023 1.00 0.65 H new ATOM 0 HB3 LYS A 97 2.118 11.098 -0.213 1.00 0.65 H new ATOM 0 HG2 LYS A 97 1.330 9.509 -1.840 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -0.347 9.877 -1.490 1.00 0.87 H new ATOM 0 HD2 LYS A 97 1.536 12.036 -2.478 1.00 1.21 H new ATOM 0 HD3 LYS A 97 0.771 10.935 -3.606 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -0.571 12.955 -3.435 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -1.468 11.612 -2.756 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -1.528 13.705 -1.437 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -1.006 12.345 -0.564 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 0.123 13.495 -1.098 1.00 2.96 H new ATOM 990 N ASP A 98 1.152 9.757 3.353 1.00 0.36 N ATOM 991 CA ASP A 98 1.587 10.227 4.664 1.00 0.37 C ATOM 992 C ASP A 98 3.012 9.766 4.963 1.00 0.36 C ATOM 993 O ASP A 98 3.508 9.927 6.079 1.00 0.41 O ATOM 994 CB ASP A 98 0.618 9.742 5.757 1.00 0.42 C ATOM 995 CG ASP A 98 0.613 8.230 5.954 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.303 7.485 4.990 1.00 0.37 O ATOM 997 OD2 ASP A 98 0.895 7.774 7.084 1.00 0.43 O ATOM 0 H ASP A 98 0.756 8.817 3.350 1.00 0.36 H new ATOM 0 HA ASP A 98 1.581 11.317 4.655 1.00 0.37 H new ATOM 0 HB2 ASP A 98 0.882 10.220 6.700 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.391 10.069 5.505 1.00 0.42 H new ATOM 1002 N GLY A 99 3.672 9.213 3.948 1.00 0.35 N ATOM 1003 CA GLY A 99 5.070 8.815 4.066 1.00 0.41 C ATOM 1004 C GLY A 99 5.270 7.557 4.894 1.00 0.41 C ATOM 1005 O GLY A 99 6.309 6.904 4.804 1.00 0.44 O ATOM 0 H GLY A 99 3.259 9.031 3.033 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.480 8.654 3.069 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.636 9.631 4.515 1.00 0.41 H new ATOM 1009 N LEU A 100 4.277 7.223 5.694 1.00 0.46 N ATOM 1010 CA LEU A 100 4.312 6.029 6.514 1.00 0.48 C ATOM 1011 C LEU A 100 3.255 5.065 6.021 1.00 0.38 C ATOM 1012 O LEU A 100 2.244 5.488 5.458 1.00 0.40 O ATOM 1013 CB LEU A 100 4.054 6.372 7.986 1.00 0.61 C ATOM 1014 CG LEU A 100 5.149 7.192 8.670 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.735 7.569 10.082 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.455 6.415 8.697 1.00 0.88 C ATOM 0 H LEU A 100 3.423 7.772 5.794 1.00 0.46 H new ATOM 0 HA LEU A 100 5.300 5.574 6.438 1.00 0.48 H new ATOM 0 HB2 LEU A 100 3.115 6.922 8.054 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.920 5.443 8.540 1.00 0.61 H new ATOM 0 HG LEU A 100 5.297 8.107 8.097 1.00 0.60 H new ATOM 0 HD11 LEU A 100 5.528 8.152 10.550 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.821 8.162 10.047 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.558 6.664 10.663 1.00 1.11 H new ATOM 0 HD21 LEU A 100 7.224 7.012 9.187 1.00 0.88 H new ATOM 0 HD22 LEU A 100 6.313 5.484 9.247 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.766 6.190 7.677 1.00 0.88 H new ATOM 1028 N LEU A 101 3.486 3.782 6.213 1.00 0.35 N ATOM 1029 CA LEU A 101 2.514 2.791 5.796 1.00 0.31 C ATOM 1030 C LEU A 101 1.756 2.252 6.995 1.00 0.34 C ATOM 1031 O LEU A 101 2.354 1.707 7.922 1.00 0.42 O ATOM 1032 CB LEU A 101 3.187 1.638 5.042 1.00 0.33 C ATOM 1033 CG LEU A 101 3.721 1.984 3.650 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.339 0.754 3.006 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.613 2.540 2.769 1.00 0.30 C ATOM 0 H LEU A 101 4.327 3.404 6.649 1.00 0.35 H new ATOM 0 HA LEU A 101 1.811 3.279 5.121 1.00 0.31 H new ATOM 0 HB2 LEU A 101 4.014 1.265 5.647 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.470 0.823 4.945 1.00 0.33 H new ATOM 0 HG LEU A 101 4.489 2.750 3.757 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.716 1.012 2.016 1.00 0.39 H new ATOM 0 HD12 LEU A 101 5.161 0.394 3.624 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.584 -0.027 2.915 1.00 0.39 H new ATOM 0 HD21 LEU A 101 3.016 2.779 1.785 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.822 1.797 2.667 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.206 3.443 3.223 1.00 0.30 H new ATOM 1047 N ASP A 102 0.442 2.435 6.976 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.429 1.815 7.966 1.00 0.39 C ATOM 1049 C ASP A 102 -0.456 0.322 7.722 1.00 0.24 C ATOM 1050 O ASP A 102 0.012 -0.147 6.686 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.866 2.352 7.865 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.017 3.785 8.314 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.012 4.029 9.538 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.141 4.676 7.454 1.00 0.97 O ATOM 0 H ASP A 102 -0.044 3.008 6.286 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.041 2.047 8.958 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.203 2.268 6.832 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.522 1.722 8.466 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.007 -0.417 8.662 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.163 -1.852 8.496 1.00 0.29 C ATOM 1061 C ASP A 103 -2.033 -2.135 7.273 1.00 0.25 C ATOM 1062 O ASP A 103 -1.786 -3.085 6.522 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.760 -2.475 9.767 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.141 -1.950 10.099 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.283 -0.726 10.292 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.097 -2.758 10.146 1.00 1.60 O ATOM 0 H ASP A 103 -1.355 -0.051 9.548 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.186 -2.308 8.334 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.810 -3.557 9.644 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.093 -2.280 10.607 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.023 -1.271 7.057 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.888 -1.358 5.886 1.00 0.28 C ATOM 1073 C GLU A 104 -3.084 -1.094 4.612 1.00 0.23 C ATOM 1074 O GLU A 104 -3.112 -1.882 3.662 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.026 -0.332 5.980 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.769 -0.322 7.311 1.00 0.59 C ATOM 1077 CD GLU A 104 -6.474 -1.626 7.623 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.451 -2.533 6.766 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -7.056 -1.760 8.715 1.00 1.66 O ATOM 0 H GLU A 104 -3.246 -0.498 7.684 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.309 -2.363 5.851 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.616 0.662 5.801 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.742 -0.530 5.182 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -5.062 -0.101 8.110 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -6.502 0.484 7.302 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.346 0.014 4.613 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.621 0.460 3.427 1.00 0.24 C ATOM 1088 C GLU A 105 -0.538 -0.539 3.039 1.00 0.18 C ATOM 1089 O GLU A 105 -0.353 -0.838 1.860 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.975 1.826 3.661 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.933 2.895 4.153 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.255 4.242 4.297 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.300 4.377 5.073 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -1.669 5.212 3.653 1.00 0.44 O ATOM 0 H GLU A 105 -2.235 0.621 5.425 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.346 0.537 2.617 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.170 1.714 4.387 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.520 2.164 2.730 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.768 2.982 3.457 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.349 2.594 5.114 1.00 0.33 H new ATOM 1101 N PHE A 106 0.184 -1.041 4.037 1.00 0.18 N ATOM 1102 CA PHE A 106 1.253 -1.997 3.790 1.00 0.17 C ATOM 1103 C PHE A 106 0.684 -3.307 3.274 1.00 0.18 C ATOM 1104 O PHE A 106 1.305 -3.971 2.447 1.00 0.23 O ATOM 1105 CB PHE A 106 2.080 -2.253 5.054 1.00 0.18 C ATOM 1106 CG PHE A 106 3.187 -3.247 4.849 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.346 -2.890 4.179 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.065 -4.543 5.323 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.360 -3.806 3.983 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.076 -5.464 5.133 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.225 -5.096 4.461 1.00 0.42 C ATOM 0 H PHE A 106 0.047 -0.802 5.019 1.00 0.18 H new ATOM 0 HA PHE A 106 1.910 -1.567 3.034 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.506 -1.311 5.398 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.421 -2.612 5.845 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.457 -1.883 3.806 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.168 -4.837 5.848 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.257 -3.515 3.457 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.968 -6.471 5.509 1.00 0.42 H new ATOM 0 HZ PHE A 106 6.017 -5.815 4.309 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.495 -3.678 3.763 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.167 -4.867 3.264 1.00 0.19 C ATOM 1123 C ALA A 107 -1.460 -4.724 1.774 1.00 0.18 C ATOM 1124 O ALA A 107 -1.298 -5.672 1.004 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.449 -5.129 4.039 1.00 0.21 C ATOM 0 H ALA A 107 -0.998 -3.178 4.496 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.505 -5.721 3.407 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -2.934 -6.023 3.648 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.213 -5.275 5.093 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.119 -4.276 3.932 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.875 -3.527 1.369 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.163 -3.255 -0.034 1.00 0.19 C ATOM 1133 C LEU A 108 -0.881 -3.326 -0.855 1.00 0.20 C ATOM 1134 O LEU A 108 -0.827 -4.010 -1.884 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.828 -1.882 -0.177 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.496 -1.595 -1.529 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.488 -0.461 -1.387 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.470 -1.235 -2.586 1.00 1.14 C ATOM 0 H LEU A 108 -2.019 -2.732 1.992 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.852 -4.011 -0.411 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.580 -1.781 0.606 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.075 -1.115 0.004 1.00 0.23 H new ATOM 0 HG LEU A 108 -4.013 -2.501 -1.844 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.957 -0.265 -2.351 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -5.253 -0.736 -0.661 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -3.970 0.435 -1.046 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -2.975 -1.038 -3.531 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -1.923 -0.345 -2.274 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -1.773 -2.063 -2.713 1.00 1.14 H new ATOM 1150 N ALA A 109 0.149 -2.621 -0.390 1.00 0.23 N ATOM 1151 CA ALA A 109 1.450 -2.627 -1.048 1.00 0.28 C ATOM 1152 C ALA A 109 1.964 -4.051 -1.213 1.00 0.29 C ATOM 1153 O ALA A 109 2.256 -4.488 -2.325 1.00 0.32 O ATOM 1154 CB ALA A 109 2.461 -1.800 -0.260 1.00 0.32 C ATOM 0 H ALA A 109 0.105 -2.036 0.445 1.00 0.23 H new ATOM 0 HA ALA A 109 1.326 -2.181 -2.035 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.424 -1.820 -0.771 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.110 -0.771 -0.186 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.572 -2.218 0.740 1.00 0.32 H new ATOM 1160 N ASN A 110 2.052 -4.765 -0.094 1.00 0.30 N ATOM 1161 CA ASN A 110 2.523 -6.143 -0.070 1.00 0.33 C ATOM 1162 C ASN A 110 1.752 -7.004 -1.057 1.00 0.33 C ATOM 1163 O ASN A 110 2.332 -7.853 -1.733 1.00 0.39 O ATOM 1164 CB ASN A 110 2.378 -6.734 1.333 1.00 0.36 C ATOM 1165 CG ASN A 110 3.587 -7.555 1.739 1.00 0.58 C ATOM 1166 OD1 ASN A 110 3.457 -8.628 2.317 1.00 1.20 O ATOM 1167 ND2 ASN A 110 4.771 -7.026 1.476 1.00 0.71 N ATOM 0 H ASN A 110 1.797 -4.401 0.824 1.00 0.30 H new ATOM 0 HA ASN A 110 3.575 -6.135 -0.356 1.00 0.33 H new ATOM 0 HB2 ASN A 110 2.231 -5.927 2.051 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.487 -7.360 1.371 1.00 0.36 H new ATOM 0 HD21 ASN A 110 5.621 -7.514 1.757 1.00 0.71 H new ATOM 0 HD22 ASN A 110 4.833 -6.130 0.992 1.00 0.71 H new ATOM 1174 N HIS A 111 0.443 -6.779 -1.145 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.390 -7.523 -2.080 1.00 0.30 C ATOM 1176 C HIS A 111 0.083 -7.283 -3.509 1.00 0.33 C ATOM 1177 O HIS A 111 0.359 -8.229 -4.234 1.00 0.46 O ATOM 1178 CB HIS A 111 -1.870 -7.140 -1.953 1.00 0.26 C ATOM 1179 CG HIS A 111 -2.787 -8.181 -2.534 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -2.970 -9.414 -1.953 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -3.547 -8.186 -3.659 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -3.795 -10.132 -2.685 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.165 -9.415 -3.731 1.00 0.45 N ATOM 0 H HIS A 111 -0.059 -6.092 -0.583 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.295 -8.581 -1.835 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.114 -6.992 -0.901 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.040 -6.189 -2.457 1.00 0.26 H new ATOM 0 HD1 HIS A 111 -2.532 -9.725 -1.086 1.00 0.46 H new ATOM 0 HD2 HIS A 111 -3.648 -7.376 -4.366 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -4.116 -11.140 -2.467 1.00 0.52 H new ATOM 1192 N LEU A 112 0.192 -6.010 -3.891 1.00 0.27 N ATOM 1193 CA LEU A 112 0.647 -5.638 -5.232 1.00 0.32 C ATOM 1194 C LEU A 112 1.999 -6.275 -5.541 1.00 0.36 C ATOM 1195 O LEU A 112 2.221 -6.793 -6.639 1.00 0.40 O ATOM 1196 CB LEU A 112 0.760 -4.114 -5.362 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.551 -3.333 -5.237 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.284 -1.841 -5.348 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.542 -3.770 -6.307 1.00 0.52 C ATOM 0 H LEU A 112 -0.029 -5.217 -3.289 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.090 -6.004 -5.946 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.449 -3.754 -4.598 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.207 -3.883 -6.329 1.00 0.36 H new ATOM 0 HG LEU A 112 -0.985 -3.543 -4.260 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.223 -1.296 -5.258 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.393 -1.532 -4.551 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.170 -1.624 -6.315 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.467 -3.203 -6.200 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.116 -3.587 -7.294 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.754 -4.833 -6.194 1.00 0.52 H new ATOM 1211 N ILE A 113 2.889 -6.237 -4.555 1.00 0.39 N ATOM 1212 CA ILE A 113 4.231 -6.788 -4.690 1.00 0.49 C ATOM 1213 C ILE A 113 4.193 -8.268 -5.061 1.00 0.54 C ATOM 1214 O ILE A 113 4.748 -8.690 -6.080 1.00 0.60 O ATOM 1215 CB ILE A 113 5.024 -6.643 -3.373 1.00 0.55 C ATOM 1216 CG1 ILE A 113 5.080 -5.189 -2.915 1.00 0.57 C ATOM 1217 CG2 ILE A 113 6.427 -7.174 -3.551 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.694 -5.025 -1.538 1.00 0.84 C ATOM 0 H ILE A 113 2.700 -5.824 -3.642 1.00 0.39 H new ATOM 0 HA ILE A 113 4.720 -6.225 -5.485 1.00 0.49 H new ATOM 0 HB ILE A 113 4.508 -7.223 -2.608 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.657 -4.609 -3.635 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.071 -4.777 -2.908 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.978 -7.067 -2.617 1.00 0.73 H new ATOM 0 HG22 ILE A 113 6.385 -8.227 -3.829 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.932 -6.611 -4.336 1.00 0.73 H new ATOM 0 HD11 ILE A 113 5.706 -3.969 -1.268 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.104 -5.579 -0.808 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.714 -5.409 -1.546 1.00 0.84 H new ATOM 1230 N LYS A 114 3.520 -9.051 -4.231 1.00 0.56 N ATOM 1231 CA LYS A 114 3.502 -10.496 -4.390 1.00 0.70 C ATOM 1232 C LYS A 114 2.710 -10.890 -5.630 1.00 0.66 C ATOM 1233 O LYS A 114 3.029 -11.870 -6.299 1.00 0.68 O ATOM 1234 CB LYS A 114 2.920 -11.152 -3.137 1.00 0.86 C ATOM 1235 CG LYS A 114 3.587 -10.691 -1.845 1.00 1.54 C ATOM 1236 CD LYS A 114 5.107 -10.774 -1.916 1.00 2.03 C ATOM 1237 CE LYS A 114 5.753 -10.015 -0.768 1.00 2.96 C ATOM 1238 NZ LYS A 114 7.238 -10.003 -0.864 1.00 3.83 N ATOM 0 H LYS A 114 2.978 -8.708 -3.438 1.00 0.56 H new ATOM 0 HA LYS A 114 4.525 -10.849 -4.522 1.00 0.70 H new ATOM 0 HB2 LYS A 114 1.853 -10.934 -3.084 1.00 0.86 H new ATOM 0 HB3 LYS A 114 3.020 -12.234 -3.223 1.00 0.86 H new ATOM 0 HG2 LYS A 114 3.291 -9.664 -1.633 1.00 1.54 H new ATOM 0 HG3 LYS A 114 3.230 -11.303 -1.016 1.00 1.54 H new ATOM 0 HD2 LYS A 114 5.419 -11.818 -1.886 1.00 2.03 H new ATOM 0 HD3 LYS A 114 5.452 -10.365 -2.866 1.00 2.03 H new ATOM 0 HE2 LYS A 114 5.383 -8.990 -0.760 1.00 2.96 H new ATOM 0 HE3 LYS A 114 5.456 -10.469 0.177 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 7.636 -9.519 -0.034 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 7.592 -10.980 -0.897 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 7.526 -9.502 -1.728 1.00 3.83 H new ATOM 1252 N VAL A 115 1.685 -10.108 -5.935 1.00 0.64 N ATOM 1253 CA VAL A 115 0.912 -10.288 -7.161 1.00 0.70 C ATOM 1254 C VAL A 115 1.794 -10.064 -8.395 1.00 0.71 C ATOM 1255 O VAL A 115 1.620 -10.726 -9.424 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.314 -9.342 -7.183 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -0.978 -9.307 -8.546 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.324 -9.775 -6.137 1.00 1.07 C ATOM 0 H VAL A 115 1.366 -9.337 -5.348 1.00 0.64 H new ATOM 0 HA VAL A 115 0.547 -11.315 -7.185 1.00 0.70 H new ATOM 0 HB VAL A 115 0.045 -8.338 -6.959 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.833 -8.632 -8.517 1.00 1.19 H new ATOM 0 HG12 VAL A 115 -0.263 -8.956 -9.290 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -1.316 -10.309 -8.812 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.182 -9.104 -6.160 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -1.653 -10.792 -6.348 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -0.863 -9.740 -5.150 1.00 1.07 H new ATOM 1268 N LYS A 116 2.755 -9.152 -8.290 1.00 0.65 N ATOM 1269 CA LYS A 116 3.733 -8.975 -9.357 1.00 0.73 C ATOM 1270 C LYS A 116 4.642 -10.195 -9.445 1.00 0.76 C ATOM 1271 O LYS A 116 5.024 -10.612 -10.537 1.00 0.90 O ATOM 1272 CB LYS A 116 4.584 -7.720 -9.153 1.00 0.72 C ATOM 1273 CG LYS A 116 3.831 -6.411 -9.351 1.00 0.95 C ATOM 1274 CD LYS A 116 3.269 -6.260 -10.764 1.00 0.93 C ATOM 1275 CE LYS A 116 4.360 -6.158 -11.830 1.00 1.06 C ATOM 1276 NZ LYS A 116 4.815 -7.492 -12.315 1.00 1.32 N ATOM 0 H LYS A 116 2.877 -8.532 -7.489 1.00 0.65 H new ATOM 0 HA LYS A 116 3.177 -8.858 -10.287 1.00 0.73 H new ATOM 0 HB2 LYS A 116 5.000 -7.737 -8.145 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.425 -7.750 -9.845 1.00 0.72 H new ATOM 0 HG2 LYS A 116 3.014 -6.355 -8.632 1.00 0.95 H new ATOM 0 HG3 LYS A 116 4.500 -5.577 -9.140 1.00 0.95 H new ATOM 0 HD2 LYS A 116 2.628 -7.113 -10.988 1.00 0.93 H new ATOM 0 HD3 LYS A 116 2.642 -5.370 -10.807 1.00 0.93 H new ATOM 0 HE2 LYS A 116 3.986 -5.577 -12.673 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.212 -5.614 -11.422 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 5.078 -7.425 -13.319 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 5.639 -7.800 -11.761 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 4.045 -8.183 -12.204 1.00 1.32 H new ATOM 1290 N LEU A 117 4.977 -10.762 -8.290 1.00 0.67 N ATOM 1291 CA LEU A 117 5.796 -11.972 -8.236 1.00 0.74 C ATOM 1292 C LEU A 117 5.030 -13.163 -8.806 1.00 0.78 C ATOM 1293 O LEU A 117 5.625 -14.108 -9.319 1.00 0.85 O ATOM 1294 CB LEU A 117 6.231 -12.270 -6.795 1.00 0.74 C ATOM 1295 CG LEU A 117 7.127 -11.209 -6.150 1.00 0.79 C ATOM 1296 CD1 LEU A 117 7.432 -11.574 -4.705 1.00 0.90 C ATOM 1297 CD2 LEU A 117 8.419 -11.053 -6.938 1.00 0.96 C ATOM 0 H LEU A 117 4.695 -10.404 -7.378 1.00 0.67 H new ATOM 0 HA LEU A 117 6.687 -11.804 -8.841 1.00 0.74 H new ATOM 0 HB2 LEU A 117 5.339 -12.390 -6.181 1.00 0.74 H new ATOM 0 HB3 LEU A 117 6.758 -13.224 -6.782 1.00 0.74 H new ATOM 0 HG LEU A 117 6.595 -10.258 -6.162 1.00 0.79 H new ATOM 0 HD11 LEU A 117 8.070 -10.808 -4.263 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.501 -11.640 -4.142 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.944 -12.536 -4.673 1.00 0.90 H new ATOM 0 HD21 LEU A 117 9.044 -10.295 -6.466 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.952 -12.004 -6.955 1.00 0.96 H new ATOM 0 HD23 LEU A 117 8.188 -10.748 -7.959 1.00 0.96 H new ATOM 1309 N GLU A 118 3.705 -13.107 -8.707 1.00 0.78 N ATOM 1310 CA GLU A 118 2.837 -14.115 -9.303 1.00 0.90 C ATOM 1311 C GLU A 118 2.942 -14.102 -10.826 1.00 1.00 C ATOM 1312 O GLU A 118 2.621 -15.085 -11.491 1.00 1.17 O ATOM 1313 CB GLU A 118 1.381 -13.862 -8.917 1.00 0.95 C ATOM 1314 CG GLU A 118 1.018 -14.201 -7.484 1.00 1.31 C ATOM 1315 CD GLU A 118 -0.469 -14.037 -7.243 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -1.269 -14.586 -8.025 1.00 2.18 O ATOM 1317 OE2 GLU A 118 -0.834 -13.348 -6.261 1.00 1.90 O ATOM 0 H GLU A 118 3.206 -12.366 -8.214 1.00 0.78 H new ATOM 0 HA GLU A 118 3.161 -15.085 -8.926 1.00 0.90 H new ATOM 0 HB2 GLU A 118 1.154 -12.810 -9.092 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.741 -14.441 -9.583 1.00 0.95 H new ATOM 0 HG2 GLU A 118 1.314 -15.227 -7.264 1.00 1.31 H new ATOM 0 HG3 GLU A 118 1.573 -13.556 -6.803 1.00 1.31 H new ATOM 1324 N GLY A 119 3.376 -12.977 -11.373 1.00 0.95 N ATOM 1325 CA GLY A 119 3.447 -12.842 -12.810 1.00 1.06 C ATOM 1326 C GLY A 119 2.351 -11.944 -13.347 1.00 1.06 C ATOM 1327 O GLY A 119 2.124 -11.885 -14.556 1.00 1.16 O ATOM 0 H GLY A 119 3.680 -12.157 -10.848 1.00 0.95 H new ATOM 0 HA2 GLY A 119 4.419 -12.435 -13.089 1.00 1.06 H new ATOM 0 HA3 GLY A 119 3.369 -13.826 -13.272 1.00 1.06 H new ATOM 1331 N HIS A 120 1.659 -11.258 -12.443 1.00 0.96 N ATOM 1332 CA HIS A 120 0.614 -10.313 -12.835 1.00 0.97 C ATOM 1333 C HIS A 120 1.233 -8.939 -13.059 1.00 0.94 C ATOM 1334 O HIS A 120 2.328 -8.661 -12.560 1.00 0.95 O ATOM 1335 CB HIS A 120 -0.474 -10.184 -11.755 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.168 -11.456 -11.355 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -0.685 -12.683 -11.064 1.00 1.80 N flip ATOM 1338 CD2 HIS A 120 -2.521 -11.521 -11.120 1.00 1.83 C flip ATOM 1339 CE1 HIS A 120 -1.740 -13.462 -10.649 1.00 2.36 C flip ATOM 1340 NE2 HIS A 120 -2.837 -12.729 -10.700 1.00 2.42 N flip ATOM 0 H HIS A 120 1.801 -11.337 -11.436 1.00 0.96 H new ATOM 0 HA HIS A 120 0.155 -10.690 -13.749 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.023 -9.746 -10.865 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.227 -9.480 -12.110 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -3.217 -10.707 -11.258 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -1.681 -14.494 -10.336 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -3.775 -13.046 -10.455 1.00 2.42 H new ATOM 1349 N GLU A 121 0.551 -8.079 -13.807 1.00 1.03 N ATOM 1350 CA GLU A 121 1.002 -6.703 -13.972 1.00 1.05 C ATOM 1351 C GLU A 121 0.008 -5.740 -13.330 1.00 0.98 C ATOM 1352 O GLU A 121 -1.128 -6.113 -13.039 1.00 1.14 O ATOM 1353 CB GLU A 121 1.212 -6.361 -15.451 1.00 1.25 C ATOM 1354 CG GLU A 121 2.179 -7.299 -16.149 1.00 1.61 C ATOM 1355 CD GLU A 121 2.832 -6.659 -17.352 1.00 1.79 C ATOM 1356 OE1 GLU A 121 2.112 -6.282 -18.298 1.00 1.77 O ATOM 1357 OE2 GLU A 121 4.075 -6.519 -17.346 1.00 2.53 O ATOM 0 H GLU A 121 -0.309 -8.308 -14.305 1.00 1.03 H new ATOM 0 HA GLU A 121 1.963 -6.598 -13.469 1.00 1.05 H new ATOM 0 HB2 GLU A 121 0.251 -6.392 -15.965 1.00 1.25 H new ATOM 0 HB3 GLU A 121 1.584 -5.340 -15.532 1.00 1.25 H new ATOM 0 HG2 GLU A 121 2.949 -7.613 -15.445 1.00 1.61 H new ATOM 0 HG3 GLU A 121 1.648 -8.198 -16.462 1.00 1.61 H new ATOM 1364 N LEU A 122 0.442 -4.508 -13.100 1.00 0.90 N ATOM 1365 CA LEU A 122 -0.387 -3.521 -12.431 1.00 0.87 C ATOM 1366 C LEU A 122 -0.902 -2.489 -13.428 1.00 0.93 C ATOM 1367 O LEU A 122 -0.158 -2.024 -14.289 1.00 1.02 O ATOM 1368 CB LEU A 122 0.394 -2.817 -11.311 1.00 0.89 C ATOM 1369 CG LEU A 122 1.579 -1.946 -11.759 1.00 1.05 C ATOM 1370 CD1 LEU A 122 1.969 -0.972 -10.659 1.00 1.33 C ATOM 1371 CD2 LEU A 122 2.779 -2.803 -12.138 1.00 1.16 C ATOM 0 H LEU A 122 1.366 -4.170 -13.369 1.00 0.90 H new ATOM 0 HA LEU A 122 -1.236 -4.043 -11.989 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -0.300 -2.191 -10.750 1.00 0.89 H new ATOM 0 HB3 LEU A 122 0.766 -3.576 -10.623 1.00 0.89 H new ATOM 0 HG LEU A 122 1.264 -1.385 -12.639 1.00 1.05 H new ATOM 0 HD11 LEU A 122 2.809 -0.363 -10.993 1.00 1.33 H new ATOM 0 HD12 LEU A 122 1.122 -0.326 -10.428 1.00 1.33 H new ATOM 0 HD13 LEU A 122 2.256 -1.527 -9.766 1.00 1.33 H new ATOM 0 HD21 LEU A 122 3.601 -2.160 -12.451 1.00 1.16 H new ATOM 0 HD22 LEU A 122 3.089 -3.396 -11.277 1.00 1.16 H new ATOM 0 HD23 LEU A 122 2.507 -3.468 -12.958 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.188 -2.132 -13.330 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.799 -1.117 -14.190 1.00 1.06 C ATOM 1385 C PRO A 123 -2.327 0.292 -13.841 1.00 1.07 C ATOM 1386 O PRO A 123 -2.523 1.232 -14.611 1.00 1.18 O ATOM 1387 CB PRO A 123 -4.306 -1.256 -13.920 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.461 -2.509 -13.121 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.162 -2.709 -12.399 1.00 1.02 C ATOM 0 HA PRO A 123 -2.531 -1.264 -15.236 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.687 -0.393 -13.373 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -4.867 -1.315 -14.853 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -5.288 -2.422 -12.417 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -4.681 -3.358 -13.768 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -3.152 -2.201 -11.435 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -2.963 -3.763 -12.206 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.713 0.415 -12.662 1.00 1.00 N ATOM 1398 CA ALA A 124 -1.177 1.683 -12.162 1.00 1.07 C ATOM 1399 C ALA A 124 -2.275 2.711 -11.911 1.00 1.11 C ATOM 1400 O ALA A 124 -2.005 3.907 -11.800 1.00 1.25 O ATOM 1401 CB ALA A 124 -0.131 2.243 -13.111 1.00 1.23 C ATOM 0 H ALA A 124 -1.573 -0.368 -12.023 1.00 1.00 H new ATOM 0 HA ALA A 124 -0.702 1.471 -11.204 1.00 1.07 H new ATOM 0 HB1 ALA A 124 0.251 3.185 -12.717 1.00 1.23 H new ATOM 0 HB2 ALA A 124 0.689 1.532 -13.210 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -0.582 2.415 -14.088 1.00 1.23 H new ATOM 1407 N ASP A 125 -3.504 2.241 -11.790 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.619 3.107 -11.438 1.00 1.15 C ATOM 1409 C ASP A 125 -5.366 2.496 -10.264 1.00 1.07 C ATOM 1410 O ASP A 125 -5.344 1.277 -10.081 1.00 1.04 O ATOM 1411 CB ASP A 125 -5.560 3.316 -12.631 1.00 1.24 C ATOM 1412 CG ASP A 125 -6.597 4.390 -12.362 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -6.245 5.585 -12.378 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -7.777 4.043 -12.142 1.00 2.73 O ATOM 0 H ASP A 125 -3.757 1.263 -11.930 1.00 1.06 H new ATOM 0 HA ASP A 125 -4.233 4.087 -11.157 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -4.975 3.590 -13.509 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -6.063 2.377 -12.863 1.00 1.24 H new ATOM 1419 N LEU A 126 -6.003 3.335 -9.465 1.00 1.07 N ATOM 1420 CA LEU A 126 -6.621 2.895 -8.224 1.00 1.02 C ATOM 1421 C LEU A 126 -8.148 2.837 -8.344 1.00 1.10 C ATOM 1422 O LEU A 126 -8.817 3.871 -8.376 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.212 3.849 -7.098 1.00 1.00 C ATOM 1424 CG LEU A 126 -6.628 3.420 -5.694 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.960 2.105 -5.317 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -6.275 4.501 -4.687 1.00 1.66 C ATOM 0 H LEU A 126 -6.106 4.332 -9.655 1.00 1.07 H new ATOM 0 HA LEU A 126 -6.275 1.886 -8.001 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -5.128 3.965 -7.118 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -6.641 4.830 -7.302 1.00 1.00 H new ATOM 0 HG LEU A 126 -7.708 3.272 -5.683 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -6.269 1.815 -4.313 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -6.255 1.331 -6.025 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -4.877 2.226 -5.343 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -6.577 4.182 -3.690 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -5.199 4.675 -4.702 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -6.795 5.423 -4.946 1.00 1.66 H new ATOM 1438 N PRO A 127 -8.714 1.622 -8.444 1.00 1.08 N ATOM 1439 CA PRO A 127 -10.162 1.423 -8.450 1.00 1.16 C ATOM 1440 C PRO A 127 -10.757 1.478 -7.037 1.00 1.08 C ATOM 1441 O PRO A 127 -10.066 1.195 -6.054 1.00 0.96 O ATOM 1442 CB PRO A 127 -10.315 0.025 -9.052 1.00 1.17 C ATOM 1443 CG PRO A 127 -9.068 -0.691 -8.662 1.00 1.11 C ATOM 1444 CD PRO A 127 -7.980 0.351 -8.589 1.00 1.03 C ATOM 0 HA PRO A 127 -10.688 2.199 -9.006 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -11.200 -0.479 -8.663 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.424 0.070 -10.136 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -9.192 -1.190 -7.701 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -8.819 -1.461 -9.392 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.315 0.175 -7.744 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -7.362 0.347 -9.487 1.00 1.03 H new ATOM 1452 N PRO A 128 -12.052 1.822 -6.920 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.725 2.020 -5.621 1.00 1.21 C ATOM 1454 C PRO A 128 -12.657 0.808 -4.683 1.00 1.10 C ATOM 1455 O PRO A 128 -12.719 0.963 -3.465 1.00 1.18 O ATOM 1456 CB PRO A 128 -14.181 2.319 -6.000 1.00 1.37 C ATOM 1457 CG PRO A 128 -14.321 1.897 -7.422 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.965 2.067 -8.045 1.00 1.37 C ATOM 0 HA PRO A 128 -12.235 2.815 -5.059 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -14.873 1.772 -5.359 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -14.407 3.379 -5.882 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -14.653 0.861 -7.490 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -15.065 2.505 -7.937 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -12.803 1.359 -8.858 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.834 3.066 -8.461 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.519 -0.398 -5.236 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.460 -1.595 -4.398 1.00 0.97 C ATOM 1468 C HIS A 129 -11.031 -1.880 -3.945 1.00 0.84 C ATOM 1469 O HIS A 129 -10.768 -2.887 -3.291 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.062 -2.818 -5.110 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.284 -3.338 -6.278 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.547 -2.974 -7.575 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.275 -4.238 -6.340 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -11.737 -3.628 -8.384 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -10.952 -4.406 -7.661 1.00 0.89 N ATOM 0 H HIS A 129 -12.447 -0.570 -6.239 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.065 -1.399 -3.512 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.170 -3.622 -4.382 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.065 -2.560 -5.451 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -10.809 -4.734 -5.501 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.718 -3.542 -9.460 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.228 -5.026 -8.024 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.111 -0.998 -4.305 1.00 0.79 N ATOM 1485 CA LEU A 130 -8.746 -1.095 -3.815 1.00 0.70 C ATOM 1486 C LEU A 130 -8.440 0.043 -2.854 1.00 0.65 C ATOM 1487 O LEU A 130 -7.496 -0.036 -2.074 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.735 -1.107 -4.967 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.616 -2.437 -5.712 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.536 -2.362 -6.780 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -7.316 -3.559 -4.734 1.00 1.29 C ATOM 0 H LEU A 130 -10.284 -0.212 -4.931 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.654 -2.040 -3.280 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.012 -0.332 -5.681 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -6.755 -0.841 -4.572 1.00 0.73 H new ATOM 0 HG LEU A 130 -8.567 -2.643 -6.204 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -6.469 -3.319 -7.297 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -6.786 -1.579 -7.496 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -5.578 -2.134 -6.313 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.233 -4.501 -5.276 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -6.377 -3.352 -4.220 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.122 -3.630 -4.003 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.255 1.091 -2.896 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.073 2.226 -2.005 1.00 0.71 C ATOM 1505 C VAL A 131 -9.554 1.866 -0.603 1.00 0.69 C ATOM 1506 O VAL A 131 -10.707 1.462 -0.422 1.00 0.76 O ATOM 1507 CB VAL A 131 -9.843 3.477 -2.487 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -9.372 4.713 -1.735 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -9.689 3.675 -3.987 1.00 1.28 C ATOM 0 H VAL A 131 -10.045 1.176 -3.536 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.009 2.461 -1.999 1.00 0.71 H new ATOM 0 HB VAL A 131 -10.901 3.322 -2.277 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -9.924 5.585 -2.086 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -9.547 4.578 -0.668 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -8.307 4.863 -1.912 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -10.242 4.562 -4.296 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -8.634 3.801 -4.231 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -10.081 2.803 -4.511 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.668 1.975 0.402 1.00 0.62 N ATOM 1520 CA PRO A 132 -9.018 1.719 1.801 1.00 0.65 C ATOM 1521 C PRO A 132 -10.285 2.464 2.222 1.00 0.77 C ATOM 1522 O PRO A 132 -10.447 3.648 1.915 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.802 2.239 2.570 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.669 2.104 1.616 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.245 2.338 0.245 1.00 0.57 C ATOM 0 HA PRO A 132 -9.233 0.667 1.987 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.941 3.276 2.877 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.628 1.659 3.476 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.885 2.828 1.838 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.218 1.114 1.685 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.128 3.376 -0.068 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.754 1.721 -0.507 1.00 0.57 H new ATOM 1533 N PRO A 133 -11.186 1.779 2.947 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.510 2.307 3.318 1.00 1.03 C ATOM 1535 C PRO A 133 -12.463 3.690 3.969 1.00 1.04 C ATOM 1536 O PRO A 133 -13.336 4.524 3.728 1.00 1.13 O ATOM 1537 CB PRO A 133 -13.059 1.267 4.306 1.00 1.17 C ATOM 1538 CG PRO A 133 -11.905 0.384 4.648 1.00 1.03 C ATOM 1539 CD PRO A 133 -10.987 0.420 3.464 1.00 0.93 C ATOM 0 HA PRO A 133 -13.130 2.449 2.433 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -13.461 1.748 5.198 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -13.871 0.694 3.859 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.397 0.737 5.545 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -12.240 -0.633 4.851 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -9.950 0.242 3.749 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -11.248 -0.337 2.725 1.00 0.93 H new ATOM 1547 N SER A 134 -11.441 3.937 4.771 1.00 1.02 N ATOM 1548 CA SER A 134 -11.334 5.196 5.497 1.00 1.09 C ATOM 1549 C SER A 134 -10.588 6.266 4.688 1.00 1.09 C ATOM 1550 O SER A 134 -10.389 7.383 5.163 1.00 1.22 O ATOM 1551 CB SER A 134 -10.632 4.954 6.836 1.00 1.14 C ATOM 1552 OG SER A 134 -11.237 3.878 7.540 1.00 1.60 O ATOM 0 H SER A 134 -10.674 3.285 4.937 1.00 1.02 H new ATOM 0 HA SER A 134 -12.342 5.572 5.671 1.00 1.09 H new ATOM 0 HB2 SER A 134 -9.578 4.734 6.664 1.00 1.14 H new ATOM 0 HB3 SER A 134 -10.674 5.859 7.442 1.00 1.14 H new ATOM 0 HG SER A 134 -10.771 3.741 8.391 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.177 5.928 3.467 1.00 0.99 N ATOM 1559 CA LYS A 135 -9.457 6.876 2.622 1.00 1.02 C ATOM 1560 C LYS A 135 -10.208 7.131 1.311 1.00 1.11 C ATOM 1561 O LYS A 135 -9.724 7.860 0.449 1.00 1.21 O ATOM 1562 CB LYS A 135 -8.048 6.357 2.295 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.128 6.168 3.498 1.00 0.90 C ATOM 1564 CD LYS A 135 -5.761 5.659 3.053 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.846 5.320 4.227 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.328 6.529 4.928 1.00 1.15 N ATOM 0 H LYS A 135 -10.329 5.012 3.044 1.00 0.99 H new ATOM 0 HA LYS A 135 -9.381 7.810 3.179 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.141 5.403 1.776 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.574 7.052 1.602 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -7.015 7.113 4.028 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -7.575 5.462 4.197 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -5.893 4.772 2.433 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -5.282 6.415 2.431 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -5.391 4.700 4.938 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.005 4.727 3.866 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -4.072 6.281 5.905 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -3.488 6.886 4.430 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -5.063 7.265 4.939 1.00 1.15 H new ATOM 1760 N GLY B 149 7.956 9.720 -1.350 1.00 0.48 N ATOM 1761 CA GLY B 149 8.114 8.323 -1.051 1.00 0.35 C ATOM 1762 C GLY B 149 9.576 7.945 -1.007 1.00 0.33 C ATOM 1763 O GLY B 149 10.414 8.639 -1.583 1.00 0.39 O ATOM 0 HA2 GLY B 149 7.646 8.097 -0.093 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.602 7.725 -1.805 1.00 0.35 H new ATOM 1767 N PRO B 150 9.911 6.843 -0.335 1.00 0.28 N ATOM 1768 CA PRO B 150 11.298 6.398 -0.160 1.00 0.29 C ATOM 1769 C PRO B 150 11.890 5.821 -1.448 1.00 0.30 C ATOM 1770 O PRO B 150 13.041 5.380 -1.474 1.00 0.33 O ATOM 1771 CB PRO B 150 11.176 5.328 0.929 1.00 0.29 C ATOM 1772 CG PRO B 150 9.809 4.772 0.744 1.00 0.26 C ATOM 1773 CD PRO B 150 8.955 5.934 0.323 1.00 0.26 C ATOM 0 HA PRO B 150 11.972 7.213 0.104 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.938 4.557 0.816 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.300 5.756 1.924 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.804 3.987 -0.012 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.438 4.327 1.667 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.162 5.624 -0.358 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.473 6.409 1.178 1.00 0.26 H new ATOM 1781 N PHE B 151 11.080 5.791 -2.500 1.00 0.31 N ATOM 1782 CA PHE B 151 11.505 5.239 -3.785 1.00 0.36 C ATOM 1783 C PHE B 151 11.747 6.329 -4.830 1.00 0.51 C ATOM 1784 O PHE B 151 12.692 6.242 -5.611 1.00 0.75 O ATOM 1785 CB PHE B 151 10.458 4.257 -4.313 1.00 0.34 C ATOM 1786 CG PHE B 151 10.152 3.153 -3.350 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.140 2.273 -2.943 1.00 0.32 C ATOM 1788 CD2 PHE B 151 8.867 2.990 -2.860 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.852 1.251 -2.064 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.573 1.968 -1.982 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.602 1.119 -1.549 1.00 0.41 C ATOM 0 H PHE B 151 10.123 6.143 -2.490 1.00 0.31 H new ATOM 0 HA PHE B 151 12.449 4.721 -3.612 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.540 4.800 -4.538 1.00 0.34 H new ATOM 0 HB3 PHE B 151 10.812 3.827 -5.250 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.146 2.388 -3.318 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.087 3.670 -3.169 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.625 0.551 -1.783 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.562 1.823 -1.632 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.401 0.361 -0.807 1.00 0.41 H new