USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -0.367 K(o=-0.41,f=-3.7!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.0752 K(o=-0.41,f=-2.1) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.121 X(o=-0.41,f=-0.29) USER MOD Set 2.1: A 69 HIS : no HE2:sc= -1.54 K(o=-4.7,f=-7.4) USER MOD Set 2.2: A 84 HIS : no HE2:sc= -1.75 K(o=-4.7,f=-5.9) USER MOD Set 2.3: A 97 HIS : no HE2:sc= -1.44 X(o=-4.7,f=-5) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.519 X(o=-0.46,f=-0.73) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= 0.0629 USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -169:sc= 0.531 (180deg=0.373) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -139:sc= 1.25 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 17 TYR OH : rot -20:sc= 1.04 USER MOD Single : A 21 SER OG : rot 91:sc= 1.1 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 28 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.59) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.66) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 61 MET CE :methyl 146:sc= -0.0171 (180deg=-0.979) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 161:sc= 0.146 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.891! C(o=-0.89!,f=-13!) USER MOD Single : A 116 TYR OH : rot 167:sc= 0 USER MOD Single : A 119 THR OG1 : rot 78:sc= 0.427 USER MOD Single : A 125 SER OG : rot 79:sc= -0.148 USER MOD Single : A 128 MET CE :methyl 150:sc= -1.22 (180deg=-2.71) USER MOD Single : A 131 SER OG : rot -169:sc= 0.0568 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 MET CE :methyl 172:sc= -0.592 (180deg=-0.731) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 165:sc= -0.108 USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 149 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.0038) USER MOD Single : A 151 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0176) USER MOD Single : A 153 SER OG : rot 172:sc= 1.28 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= -0.105 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.591 1.931 8.382 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.832 1.359 7.280 1.00 0.36 C ATOM 111 C PRO A 8 -12.752 0.634 6.295 1.00 0.57 C ATOM 112 O PRO A 8 -13.871 0.265 6.654 1.00 -0.57 O ATOM 113 CB PRO A 8 -10.846 0.381 7.919 1.00 0.00 C ATOM 114 CG PRO A 8 -11.552 -0.065 9.189 1.00 0.00 C ATOM 115 CD PRO A 8 -12.432 1.112 9.576 1.00 0.30 C ATOM 0 HA PRO A 8 -11.319 2.133 6.709 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -10.635 -0.462 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.892 0.860 8.139 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.145 -0.963 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.837 -0.301 9.977 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.400 0.767 9.940 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.975 1.687 10.381 1.00 0.30 H new ATOM 123 N LYS A 9 -12.221 0.368 5.093 1.00 -0.73 N ATOM 124 CA LYS A 9 -12.931 -0.096 3.904 1.00 0.36 C ATOM 125 C LYS A 9 -13.849 1.011 3.374 1.00 0.57 C ATOM 126 O LYS A 9 -14.753 1.490 4.054 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.577 -1.487 4.100 1.00 0.00 C ATOM 128 CG LYS A 9 -15.105 -1.510 4.266 1.00 0.00 C ATOM 129 CD LYS A 9 -15.622 -2.931 4.521 1.00 0.00 C ATOM 130 CE LYS A 9 -16.955 -2.874 5.276 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.968 -3.760 4.663 1.00 -0.85 N ATOM 0 H LYS A 9 -11.222 0.480 4.920 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.217 -0.285 3.103 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.316 -2.109 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.130 -1.951 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.392 -0.863 5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.575 -1.106 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.753 -3.455 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.890 -3.495 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.798 -3.165 6.315 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.325 -1.849 5.284 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.856 -3.695 5.200 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.136 -3.467 3.679 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.625 -4.742 4.678 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.577 1.450 2.146 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.389 2.449 1.470 1.00 0.36 C ATOM 147 C TRP A 10 -15.808 1.914 1.275 1.00 0.57 C ATOM 148 O TRP A 10 -16.002 0.715 1.062 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.755 2.793 0.118 1.00 0.18 C ATOM 150 CG TRP A 10 -12.273 3.003 0.146 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.340 2.045 -0.068 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.527 4.225 0.440 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.081 2.597 0.025 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.140 3.945 0.279 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.874 5.536 0.834 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.149 4.921 0.433 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.887 6.521 1.024 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.531 6.217 0.809 1.00 -0.15 C ATOM 0 H TRP A 10 -12.785 1.120 1.595 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.438 3.353 2.077 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.979 1.991 -0.585 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.227 3.697 -0.268 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.551 1.007 -0.279 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.214 2.070 -0.081 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.913 5.786 0.992 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.109 4.681 0.265 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.172 7.515 1.336 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.781 6.984 0.934 1.00 -0.15 H new ATOM 169 N THR A 11 -16.796 2.809 1.255 1.00 -0.73 N ATOM 170 CA THR A 11 -18.204 2.452 1.091 1.00 0.36 C ATOM 171 C THR A 11 -18.592 2.397 -0.401 1.00 0.57 C ATOM 172 O THR A 11 -19.741 2.656 -0.764 1.00 -0.57 O ATOM 173 CB THR A 11 -19.078 3.402 1.937 1.00 0.28 C ATOM 174 OG1 THR A 11 -19.081 4.726 1.439 1.00 -0.68 O ATOM 175 CG2 THR A 11 -18.621 3.449 3.404 1.00 0.00 C ATOM 0 H THR A 11 -16.639 3.812 1.353 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.382 1.444 1.466 1.00 0.36 H new ATOM 0 HB THR A 11 -20.086 2.991 1.874 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.649 5.288 2.007 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.263 4.129 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.685 2.451 3.837 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.590 3.800 3.453 1.00 0.00 H new ATOM 183 N SER A 12 -17.618 2.080 -1.266 1.00 -0.73 N ATOM 184 CA SER A 12 -17.723 2.053 -2.717 1.00 0.36 C ATOM 185 C SER A 12 -17.162 0.720 -3.230 1.00 0.57 C ATOM 186 O SER A 12 -16.376 0.052 -2.561 1.00 -0.57 O ATOM 187 CB SER A 12 -16.953 3.254 -3.299 1.00 0.28 C ATOM 188 OG SER A 12 -17.001 3.275 -4.715 1.00 -0.68 O ATOM 0 H SER A 12 -16.685 1.822 -0.945 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.763 2.131 -3.033 1.00 0.36 H new ATOM 0 HB2 SER A 12 -17.374 4.180 -2.907 1.00 0.28 H new ATOM 0 HB3 SER A 12 -15.914 3.213 -2.971 1.00 0.28 H new ATOM 0 HG SER A 12 -16.121 3.522 -5.069 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.559 0.357 -4.456 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.089 -0.824 -5.191 1.00 0.36 C ATOM 196 C LYS A 13 -15.862 -0.530 -6.064 1.00 0.57 C ATOM 197 O LYS A 13 -15.274 -1.447 -6.646 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.241 -1.336 -6.069 1.00 0.00 C ATOM 199 CG LYS A 13 -18.640 -0.325 -7.170 1.00 0.00 C ATOM 200 CD LYS A 13 -20.141 -0.031 -7.161 1.00 0.00 C ATOM 201 CE LYS A 13 -20.442 1.136 -8.105 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.898 1.296 -8.294 1.00 -0.85 N ATOM 0 H LYS A 13 -18.243 0.899 -4.984 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.782 -1.576 -4.464 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.949 -2.278 -6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.107 -1.545 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.088 0.604 -7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.354 -0.719 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.697 -0.916 -7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.468 0.212 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.020 2.056 -7.699 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -19.963 0.963 -9.069 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.079 2.093 -8.937 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.293 0.425 -8.702 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.349 1.483 -7.376 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.508 0.750 -6.178 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.395 1.245 -6.956 1.00 0.36 C ATOM 218 C VAL A 14 -13.844 2.456 -6.213 1.00 0.57 C ATOM 219 O VAL A 14 -14.606 3.207 -5.592 1.00 -0.57 O ATOM 220 CB VAL A 14 -14.837 1.557 -8.404 1.00 0.00 C ATOM 221 CG1 VAL A 14 -15.831 2.727 -8.522 1.00 0.00 C ATOM 222 CG2 VAL A 14 -13.630 1.841 -9.305 1.00 0.00 C ATOM 0 H VAL A 14 -16.019 1.496 -5.705 1.00 -0.73 H new ATOM 0 HA VAL A 14 -13.605 0.501 -7.057 1.00 0.36 H new ATOM 0 HB VAL A 14 -15.355 0.657 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.090 2.880 -9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.733 2.497 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.375 3.634 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.974 2.057 -10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.081 2.699 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.976 0.969 -9.322 1.00 0.00 H new ATOM 232 N VAL A 15 -12.529 2.638 -6.285 1.00 -0.73 N ATOM 233 CA VAL A 15 -11.821 3.707 -5.604 1.00 0.36 C ATOM 234 C VAL A 15 -10.921 4.354 -6.654 1.00 0.57 C ATOM 235 O VAL A 15 -10.281 3.650 -7.441 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.030 3.125 -4.414 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.409 4.243 -3.599 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.893 2.350 -3.417 1.00 0.00 C ATOM 0 H VAL A 15 -11.917 2.032 -6.831 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.490 4.458 -5.184 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.299 2.459 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.854 3.818 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.732 4.819 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.195 4.896 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.266 1.972 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.656 3.011 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.374 1.514 -3.925 1.00 0.00 H new ATOM 248 N THR A 16 -10.897 5.685 -6.709 1.00 -0.73 N ATOM 249 CA THR A 16 -10.126 6.403 -7.705 1.00 0.36 C ATOM 250 C THR A 16 -8.821 6.899 -7.085 1.00 0.57 C ATOM 251 O THR A 16 -8.766 7.225 -5.893 1.00 -0.57 O ATOM 252 CB THR A 16 -10.987 7.475 -8.396 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.284 8.012 -9.494 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.490 8.610 -7.497 1.00 0.00 C ATOM 0 H THR A 16 -11.411 6.287 -6.065 1.00 -0.73 H new ATOM 0 HA THR A 16 -9.827 5.740 -8.517 1.00 0.36 H new ATOM 0 HB THR A 16 -11.888 6.951 -8.713 1.00 0.28 H new ATOM 0 HG1 THR A 16 -10.835 8.693 -9.934 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.085 9.306 -8.088 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.104 8.196 -6.698 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.639 9.136 -7.065 1.00 0.00 H new ATOM 262 N TYR A 17 -7.766 6.963 -7.903 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.426 7.295 -7.455 1.00 0.36 C ATOM 264 C TYR A 17 -5.844 8.474 -8.237 1.00 0.57 C ATOM 265 O TYR A 17 -6.217 8.711 -9.392 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.542 6.034 -7.490 1.00 0.14 C ATOM 267 CG TYR A 17 -5.089 5.517 -8.840 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -3.946 6.043 -9.479 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -5.778 4.442 -9.424 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -3.526 5.522 -10.719 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -5.392 3.943 -10.676 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.268 4.484 -11.336 1.00 0.08 C ATOM 273 OH TYR A 17 -3.938 3.995 -12.564 1.00 -0.53 O ATOM 0 H TYR A 17 -7.828 6.782 -8.905 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.464 7.635 -6.420 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.652 6.234 -6.894 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.086 5.232 -6.991 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -3.392 6.847 -9.017 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -6.613 3.996 -8.904 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -2.641 5.913 -11.198 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -5.955 3.144 -11.136 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.384 4.649 -13.039 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.911 9.213 -7.616 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.233 10.342 -8.253 1.00 0.36 C ATOM 285 C ARG A 18 -2.758 10.360 -7.880 1.00 0.57 C ATOM 286 O ARG A 18 -2.374 10.672 -6.754 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.906 11.689 -7.919 1.00 0.00 C ATOM 288 CG ARG A 18 -4.255 12.899 -8.628 1.00 0.00 C ATOM 289 CD ARG A 18 -4.269 12.856 -10.170 1.00 0.33 C ATOM 290 NE ARG A 18 -2.930 13.109 -10.745 1.00 -0.84 N ATOM 291 CZ ARG A 18 -2.442 14.265 -11.220 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.178 15.375 -11.259 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -1.182 14.307 -11.639 1.00 -0.97 N ATOM 0 H ARG A 18 -4.609 9.040 -6.657 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.317 10.206 -9.331 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.959 11.639 -8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.869 11.847 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.766 13.805 -8.303 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.220 12.979 -8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.628 11.882 -10.502 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -4.971 13.599 -10.547 1.00 0.33 H new ATOM 0 HE ARG A 18 -2.301 12.307 -10.785 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.141 15.361 -10.922 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.779 16.239 -11.626 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -0.602 13.469 -11.597 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -0.794 15.177 -12.003 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.932 10.055 -8.875 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.495 10.227 -8.806 1.00 0.36 C ATOM 309 C ILE A 19 -0.223 11.727 -8.971 1.00 0.57 C ATOM 310 O ILE A 19 -0.247 12.231 -10.099 1.00 -0.57 O ATOM 311 CB ILE A 19 0.183 9.340 -9.878 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.124 7.844 -9.639 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.688 9.581 -9.796 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.332 6.887 -10.746 1.00 0.00 C ATOM 0 H ILE A 19 -2.253 9.675 -9.765 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.072 9.905 -7.854 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.200 9.599 -10.865 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.347 7.540 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.200 7.730 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.196 8.968 -10.541 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.899 10.633 -9.986 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.046 9.314 -8.802 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.067 5.865 -10.475 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.159 7.154 -11.682 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.413 6.961 -10.869 1.00 0.00 H new ATOM 326 N VAL A 20 -0.072 12.449 -7.851 1.00 -0.73 N ATOM 327 CA VAL A 20 0.192 13.890 -7.842 1.00 0.36 C ATOM 328 C VAL A 20 1.640 14.193 -8.224 1.00 0.57 C ATOM 329 O VAL A 20 1.883 15.041 -9.081 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.158 14.529 -6.476 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.679 14.620 -6.333 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.412 13.810 -5.238 1.00 0.00 C ATOM 0 H VAL A 20 -0.131 12.042 -6.918 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.458 14.337 -8.594 1.00 0.36 H new ATOM 0 HB VAL A 20 0.318 15.510 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.928 15.070 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.084 15.235 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.110 13.620 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.107 14.341 -4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.033 12.789 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.500 13.791 -5.297 1.00 0.00 H new ATOM 342 N SER A 21 2.586 13.466 -7.634 1.00 -0.73 N ATOM 343 CA SER A 21 4.005 13.560 -7.918 1.00 0.36 C ATOM 344 C SER A 21 4.440 12.218 -8.503 1.00 0.57 C ATOM 345 O SER A 21 3.741 11.222 -8.358 1.00 -0.57 O ATOM 346 CB SER A 21 4.752 13.957 -6.639 1.00 0.28 C ATOM 347 OG SER A 21 4.401 13.127 -5.556 1.00 -0.68 O ATOM 0 H SER A 21 2.371 12.771 -6.919 1.00 -0.73 H new ATOM 0 HA SER A 21 4.238 14.334 -8.649 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.827 13.897 -6.811 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.526 14.994 -6.392 1.00 0.28 H new ATOM 0 HG SER A 21 5.016 12.365 -5.515 1.00 -0.68 H new ATOM 353 N TYR A 22 5.576 12.200 -9.199 1.00 -0.73 N ATOM 354 CA TYR A 22 6.053 11.050 -9.959 1.00 0.36 C ATOM 355 C TYR A 22 7.489 10.745 -9.532 1.00 0.57 C ATOM 356 O TYR A 22 8.045 11.448 -8.695 1.00 -0.57 O ATOM 357 CB TYR A 22 5.927 11.335 -11.472 1.00 0.14 C ATOM 358 CG TYR A 22 4.594 10.943 -12.088 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.206 9.590 -12.087 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.777 11.901 -12.722 1.00 -0.15 C ATOM 361 CE1 TYR A 22 3.020 9.187 -12.725 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.578 11.508 -13.347 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.202 10.147 -13.360 1.00 0.08 C ATOM 364 OH TYR A 22 1.071 9.748 -14.007 1.00 -0.53 O ATOM 0 H TYR A 22 6.203 13.003 -9.250 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.447 10.167 -9.755 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.090 12.399 -11.641 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.722 10.804 -11.995 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.824 8.856 -11.592 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.072 12.940 -12.728 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.735 8.145 -12.729 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.946 12.247 -13.816 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.620 10.529 -14.390 1.00 -0.53 H new ATOM 374 N THR A 23 8.088 9.713 -10.129 1.00 -0.73 N ATOM 375 CA THR A 23 9.444 9.261 -9.846 1.00 0.36 C ATOM 376 C THR A 23 10.292 9.344 -11.118 1.00 0.57 C ATOM 377 O THR A 23 9.829 9.799 -12.169 1.00 -0.57 O ATOM 378 CB THR A 23 9.403 7.866 -9.167 1.00 0.28 C ATOM 379 OG1 THR A 23 10.690 7.406 -8.802 1.00 -0.68 O ATOM 380 CG2 THR A 23 8.787 6.778 -10.044 1.00 0.00 C ATOM 0 H THR A 23 7.625 9.154 -10.845 1.00 -0.73 H new ATOM 0 HA THR A 23 9.937 9.915 -9.127 1.00 0.36 H new ATOM 0 HB THR A 23 8.781 8.028 -8.287 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.615 6.526 -8.377 1.00 -0.68 H new ATOM 0 HG21 THR A 23 8.791 5.830 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.761 7.049 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.368 6.677 -10.960 1.00 0.00 H new ATOM 388 N ARG A 24 11.549 8.923 -10.986 1.00 -0.73 N ATOM 389 CA ARG A 24 12.589 8.985 -12.007 1.00 0.36 C ATOM 390 C ARG A 24 13.314 7.649 -12.157 1.00 0.57 C ATOM 391 O ARG A 24 13.727 7.321 -13.270 1.00 -0.57 O ATOM 392 CB ARG A 24 13.584 10.099 -11.632 1.00 0.00 C ATOM 393 CG ARG A 24 13.316 11.375 -12.437 1.00 0.00 C ATOM 394 CD ARG A 24 14.151 12.555 -11.919 1.00 0.33 C ATOM 395 NE ARG A 24 14.142 13.681 -12.880 1.00 -0.84 N ATOM 396 CZ ARG A 24 14.857 13.730 -14.019 1.00 1.20 C ATOM 397 NH1 ARG A 24 15.773 12.789 -14.265 1.00 -0.97 N ATOM 398 NH2 ARG A 24 14.665 14.700 -14.918 1.00 -0.97 N ATOM 0 H ARG A 24 11.885 8.508 -10.117 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.125 9.205 -12.968 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.507 10.315 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.603 9.757 -11.815 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.547 11.198 -13.488 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.257 11.626 -12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.756 12.889 -10.960 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.177 12.230 -11.746 1.00 0.33 H new ATOM 0 HE ARG A 24 13.548 14.481 -12.662 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 15.927 12.039 -13.591 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.318 12.821 -15.127 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 13.965 15.422 -14.747 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 15.218 14.718 -15.775 1.00 -0.97 H new ATOM 412 N ASP A 25 13.439 6.879 -11.067 1.00 -0.73 N ATOM 413 CA ASP A 25 14.033 5.540 -11.064 1.00 0.36 C ATOM 414 C ASP A 25 13.261 4.572 -11.958 1.00 0.57 C ATOM 415 O ASP A 25 13.856 3.651 -12.524 1.00 -0.57 O ATOM 416 CB ASP A 25 14.010 4.970 -9.636 1.00 0.06 C ATOM 417 CG ASP A 25 15.383 4.923 -8.979 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.312 4.445 -9.610 1.00 -0.57 O ATOM 419 OD2 ASP A 25 15.461 5.411 -7.744 1.00 -0.65 O ATOM 0 H ASP A 25 13.122 7.178 -10.145 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.052 5.639 -11.439 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.343 5.575 -9.022 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.594 3.963 -9.662 1.00 0.06 H new ATOM 425 N LEU A 26 11.941 4.792 -12.059 1.00 -0.73 N ATOM 426 CA LEU A 26 10.971 3.963 -12.761 1.00 0.36 C ATOM 427 C LEU A 26 10.102 4.913 -13.600 1.00 0.57 C ATOM 428 O LEU A 26 9.829 6.030 -13.158 1.00 -0.57 O ATOM 429 CB LEU A 26 10.073 3.193 -11.762 1.00 0.00 C ATOM 430 CG LEU A 26 10.788 2.451 -10.614 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.762 1.839 -9.652 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.704 1.339 -11.131 1.00 0.00 C ATOM 0 H LEU A 26 11.504 5.605 -11.624 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.482 3.227 -13.381 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.369 3.900 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.486 2.466 -12.323 1.00 0.00 H new ATOM 0 HG LEU A 26 11.399 3.189 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.282 1.319 -8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.141 2.630 -9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.132 1.133 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.186 0.844 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.114 0.612 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.464 1.768 -11.784 1.00 0.00 H new ATOM 444 N PRO A 27 9.642 4.516 -14.797 1.00 -0.66 N ATOM 445 CA PRO A 27 8.733 5.342 -15.576 1.00 0.36 C ATOM 446 C PRO A 27 7.322 5.354 -14.969 1.00 0.57 C ATOM 447 O PRO A 27 6.891 4.394 -14.332 1.00 -0.57 O ATOM 448 CB PRO A 27 8.768 4.764 -16.991 1.00 0.00 C ATOM 449 CG PRO A 27 9.301 3.338 -16.853 1.00 0.00 C ATOM 450 CD PRO A 27 9.992 3.287 -15.488 1.00 0.30 C ATOM 0 HA PRO A 27 9.035 6.389 -15.582 1.00 0.36 H new ATOM 0 HB2 PRO A 27 7.774 4.767 -17.438 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.411 5.359 -17.639 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.492 2.610 -16.910 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.000 3.101 -17.655 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.663 2.417 -14.920 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.072 3.202 -15.604 1.00 0.30 H new ATOM 458 N HIS A 28 6.570 6.431 -15.224 1.00 -0.73 N ATOM 459 CA HIS A 28 5.196 6.606 -14.753 1.00 0.36 C ATOM 460 C HIS A 28 4.243 5.523 -15.264 1.00 0.57 C ATOM 461 O HIS A 28 3.333 5.126 -14.537 1.00 -0.57 O ATOM 462 CB HIS A 28 4.679 7.992 -15.159 1.00 0.17 C ATOM 463 CG HIS A 28 5.107 8.457 -16.524 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.131 9.342 -16.768 1.00 -0.70 N ATOM 465 CD2 HIS A 28 4.606 8.063 -17.736 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.246 9.467 -18.098 1.00 0.65 C ATOM 467 NE2 HIS A 28 5.344 8.703 -18.735 1.00 -0.70 N ATOM 0 H HIS A 28 6.909 7.220 -15.775 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.220 6.516 -13.667 1.00 0.36 H new ATOM 0 HB2 HIS A 28 3.590 7.982 -15.120 1.00 0.17 H new ATOM 0 HB3 HIS A 28 5.018 8.720 -14.421 1.00 0.17 H new ATOM 0 HD2 HIS A 28 3.785 7.378 -17.892 1.00 0.20 H new ATOM 0 HE1 HIS A 28 6.969 10.099 -18.592 1.00 0.65 H new ATOM 0 HE2 HIS A 28 5.222 8.609 -19.743 1.00 -0.70 H new ATOM 476 N ILE A 29 4.450 5.037 -16.493 1.00 -0.73 N ATOM 477 CA ILE A 29 3.667 3.939 -17.046 1.00 0.36 C ATOM 478 C ILE A 29 3.915 2.659 -16.239 1.00 0.57 C ATOM 479 O ILE A 29 2.964 1.942 -15.938 1.00 -0.57 O ATOM 480 CB ILE A 29 3.934 3.797 -18.563 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.104 2.643 -19.162 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.430 3.650 -18.914 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.842 2.832 -20.659 1.00 0.00 C ATOM 0 H ILE A 29 5.164 5.396 -17.127 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.602 4.151 -16.954 1.00 0.36 H new ATOM 0 HB ILE A 29 3.612 4.734 -19.018 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.628 1.701 -19.003 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.153 2.571 -18.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.543 3.555 -19.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.973 4.530 -18.568 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.832 2.761 -18.428 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.254 1.994 -21.034 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.293 3.760 -20.818 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.792 2.876 -21.192 1.00 0.00 H new ATOM 495 N THR A 30 5.166 2.416 -15.825 1.00 -0.73 N ATOM 496 CA THR A 30 5.530 1.321 -14.939 1.00 0.36 C ATOM 497 C THR A 30 4.965 1.563 -13.547 1.00 0.57 C ATOM 498 O THR A 30 4.435 0.619 -12.986 1.00 -0.57 O ATOM 499 CB THR A 30 7.057 1.147 -14.929 1.00 0.28 C ATOM 500 OG1 THR A 30 7.411 0.425 -16.086 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.662 0.435 -13.714 1.00 0.00 C ATOM 0 H THR A 30 5.961 2.989 -16.106 1.00 -0.73 H new ATOM 0 HA THR A 30 5.096 0.390 -15.303 1.00 0.36 H new ATOM 0 HB THR A 30 7.464 2.157 -14.888 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.383 0.299 -16.109 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.744 0.376 -13.828 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.423 0.993 -12.809 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.250 -0.571 -13.639 1.00 0.00 H new ATOM 509 N VAL A 31 5.021 2.780 -12.991 1.00 -0.73 N ATOM 510 CA VAL A 31 4.401 3.054 -11.695 1.00 0.36 C ATOM 511 C VAL A 31 2.917 2.711 -11.761 1.00 0.57 C ATOM 512 O VAL A 31 2.461 1.950 -10.919 1.00 -0.57 O ATOM 513 CB VAL A 31 4.642 4.511 -11.260 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.678 4.992 -10.164 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.073 4.658 -10.736 1.00 0.00 C ATOM 0 H VAL A 31 5.486 3.582 -13.416 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.863 2.426 -10.934 1.00 0.36 H new ATOM 0 HB VAL A 31 4.469 5.125 -12.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.906 6.026 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.652 4.926 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.791 4.365 -9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.244 5.690 -10.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.218 3.996 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.778 4.393 -11.524 1.00 0.00 H new ATOM 525 N ASP A 32 2.191 3.222 -12.759 1.00 -0.73 N ATOM 526 CA ASP A 32 0.759 2.981 -12.909 1.00 0.36 C ATOM 527 C ASP A 32 0.490 1.481 -13.096 1.00 0.57 C ATOM 528 O ASP A 32 -0.373 0.925 -12.418 1.00 -0.57 O ATOM 529 CB ASP A 32 0.252 3.838 -14.078 1.00 0.06 C ATOM 530 CG ASP A 32 -1.272 3.901 -14.174 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.815 3.062 -14.874 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.896 4.890 -13.541 1.00 -0.65 O ATOM 0 H ASP A 32 2.585 3.817 -13.488 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.212 3.273 -12.012 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.643 4.850 -13.972 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.650 3.438 -15.010 1.00 0.06 H new ATOM 538 N ARG A 33 1.292 0.793 -13.927 1.00 -0.73 N ATOM 539 CA ARG A 33 1.192 -0.656 -14.100 1.00 0.36 C ATOM 540 C ARG A 33 1.474 -1.408 -12.809 1.00 0.57 C ATOM 541 O ARG A 33 0.710 -2.311 -12.492 1.00 -0.57 O ATOM 542 CB ARG A 33 2.118 -1.154 -15.230 1.00 0.00 C ATOM 543 CG ARG A 33 1.350 -1.386 -16.536 1.00 0.00 C ATOM 544 CD ARG A 33 0.601 -0.154 -17.067 1.00 0.33 C ATOM 545 NE ARG A 33 -0.407 -0.548 -18.063 1.00 -0.84 N ATOM 546 CZ ARG A 33 -1.416 0.211 -18.515 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.625 1.449 -18.049 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -2.222 -0.302 -19.442 1.00 -0.97 N ATOM 0 H ARG A 33 2.022 1.228 -14.492 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.161 -0.865 -14.384 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.910 -0.424 -15.399 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.600 -2.082 -14.922 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.051 -1.725 -17.299 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.633 -2.192 -16.382 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.118 0.368 -16.241 1.00 0.33 H new ATOM 0 HD3 ARG A 33 1.309 0.543 -17.515 1.00 0.33 H new ATOM 0 HE ARG A 33 -0.331 -1.490 -18.447 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.009 1.835 -17.333 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -2.400 2.006 -18.410 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 -2.063 -1.248 -19.789 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -2.998 0.251 -19.805 1.00 -0.97 H new ATOM 562 N LEU A 34 2.532 -1.078 -12.068 1.00 -0.73 N ATOM 563 CA LEU A 34 2.884 -1.724 -10.809 1.00 0.36 C ATOM 564 C LEU A 34 1.802 -1.447 -9.770 1.00 0.57 C ATOM 565 O LEU A 34 1.408 -2.383 -9.080 1.00 -0.57 O ATOM 566 CB LEU A 34 4.263 -1.246 -10.314 1.00 0.00 C ATOM 567 CG LEU A 34 5.467 -2.088 -10.795 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.452 -2.512 -12.271 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.757 -1.335 -10.457 1.00 0.00 C ATOM 0 H LEU A 34 3.181 -0.337 -12.335 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.948 -2.800 -10.969 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.409 -0.215 -10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.257 -1.240 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 34 5.400 -3.035 -10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.345 -3.097 -12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.566 -3.116 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.434 -1.625 -12.904 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.616 -1.917 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.756 -0.368 -10.960 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.818 -1.183 -9.379 1.00 0.00 H new ATOM 581 N VAL A 35 1.278 -0.218 -9.691 1.00 -0.73 N ATOM 582 CA VAL A 35 0.139 0.107 -8.839 1.00 0.36 C ATOM 583 C VAL A 35 -1.027 -0.807 -9.207 1.00 0.57 C ATOM 584 O VAL A 35 -1.574 -1.451 -8.316 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.180 1.632 -8.880 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.616 2.041 -9.248 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.172 2.259 -7.522 1.00 0.00 C ATOM 0 H VAL A 35 1.636 0.578 -10.219 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.370 -0.086 -7.791 1.00 0.36 H new ATOM 0 HB VAL A 35 0.432 2.005 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.698 3.128 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.857 1.667 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.312 1.618 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.049 3.326 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.417 1.783 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.233 2.113 -7.318 1.00 0.00 H new ATOM 597 N SER A 36 -1.355 -0.937 -10.499 1.00 -0.73 N ATOM 598 CA SER A 36 -2.470 -1.762 -10.935 1.00 0.36 C ATOM 599 C SER A 36 -2.195 -3.253 -10.710 1.00 0.57 C ATOM 600 O SER A 36 -3.089 -3.964 -10.278 1.00 -0.57 O ATOM 601 CB SER A 36 -2.810 -1.454 -12.399 1.00 0.28 C ATOM 602 OG SER A 36 -4.198 -1.234 -12.512 1.00 -0.68 O ATOM 0 H SER A 36 -0.855 -0.475 -11.259 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.340 -1.516 -10.326 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.261 -0.575 -12.736 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.507 -2.283 -13.038 1.00 0.28 H new ATOM 0 HG SER A 36 -4.423 -1.035 -13.445 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.973 -3.745 -10.936 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.586 -5.139 -10.699 1.00 0.36 C ATOM 610 C LYS A 37 -0.655 -5.467 -9.202 1.00 0.57 C ATOM 611 O LYS A 37 -1.261 -6.473 -8.832 1.00 -0.57 O ATOM 612 CB LYS A 37 0.807 -5.391 -11.322 1.00 0.00 C ATOM 613 CG LYS A 37 0.697 -5.655 -12.842 1.00 0.00 C ATOM 614 CD LYS A 37 1.923 -5.217 -13.664 1.00 0.00 C ATOM 615 CE LYS A 37 1.661 -5.356 -15.175 1.00 0.50 C ATOM 616 NZ LYS A 37 1.730 -6.756 -15.647 1.00 -0.85 N ATOM 0 H LYS A 37 -0.209 -3.173 -11.296 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.286 -5.818 -11.186 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.449 -4.528 -11.145 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.278 -6.245 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.533 -6.721 -13.000 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.183 -5.137 -13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.170 -4.182 -13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.786 -5.822 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.677 -4.948 -15.407 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.390 -4.758 -15.721 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 1.546 -6.787 -16.670 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 2.677 -7.141 -15.454 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.016 -7.326 -15.149 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.116 -4.600 -8.338 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.206 -4.738 -6.886 1.00 0.36 C ATOM 632 C ALA A 38 -1.659 -4.681 -6.413 1.00 0.57 C ATOM 633 O ALA A 38 -2.084 -5.499 -5.594 1.00 -0.57 O ATOM 634 CB ALA A 38 0.587 -3.609 -6.217 1.00 0.00 C ATOM 0 H ALA A 38 0.401 -3.773 -8.635 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.209 -5.707 -6.609 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.521 -3.710 -5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.631 -3.667 -6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.173 -2.646 -6.517 1.00 0.00 H new ATOM 640 N LEU A 39 -2.433 -3.727 -6.937 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.840 -3.587 -6.600 1.00 0.36 C ATOM 642 C LEU A 39 -4.659 -4.753 -7.143 1.00 0.57 C ATOM 643 O LEU A 39 -5.596 -5.172 -6.475 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.382 -2.254 -7.130 1.00 0.00 C ATOM 645 CG LEU A 39 -4.063 -1.051 -6.226 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.446 0.244 -6.951 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.843 -1.133 -4.904 1.00 0.00 C ATOM 0 H LEU A 39 -2.096 -3.034 -7.605 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.930 -3.597 -5.514 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.967 -2.072 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.463 -2.333 -7.247 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.996 -1.061 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.221 1.098 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.878 0.324 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.512 0.232 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.599 -0.271 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.913 -1.139 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.571 -2.048 -4.377 1.00 0.00 H new ATOM 659 N ASN A 40 -4.304 -5.323 -8.300 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.930 -6.529 -8.828 1.00 0.36 C ATOM 661 C ASN A 40 -4.648 -7.718 -7.911 1.00 0.57 C ATOM 662 O ASN A 40 -5.506 -8.575 -7.758 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.443 -6.833 -10.257 1.00 0.06 C ATOM 664 CG ASN A 40 -5.261 -7.954 -10.902 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.484 -7.922 -10.891 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.615 -8.955 -11.488 1.00 -0.80 N ATOM 0 H ASN A 40 -3.566 -4.952 -8.898 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.006 -6.357 -8.868 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.515 -5.932 -10.866 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.391 -7.117 -10.231 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.139 -9.708 -11.935 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.595 -8.971 -11.491 1.00 -0.80 H new ATOM 673 N MET A 41 -3.479 -7.770 -7.262 1.00 -0.73 N ATOM 674 CA MET A 41 -3.182 -8.802 -6.268 1.00 0.36 C ATOM 675 C MET A 41 -3.985 -8.601 -4.971 1.00 0.57 C ATOM 676 O MET A 41 -4.321 -9.590 -4.325 1.00 -0.57 O ATOM 677 CB MET A 41 -1.672 -8.875 -6.004 1.00 0.00 C ATOM 678 CG MET A 41 -0.874 -9.389 -7.209 1.00 0.23 C ATOM 679 SD MET A 41 0.836 -8.780 -7.337 1.00 -0.46 S ATOM 680 CE MET A 41 1.637 -9.618 -5.947 1.00 0.23 C ATOM 0 H MET A 41 -2.721 -7.104 -7.410 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.497 -9.762 -6.677 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.309 -7.884 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.490 -9.528 -5.150 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.851 -10.478 -7.169 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.407 -9.115 -8.119 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.689 -9.334 -5.908 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.148 -9.328 -5.017 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.557 -10.697 -6.078 1.00 0.23 H new ATOM 690 N TRP A 42 -4.351 -7.362 -4.614 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.317 -7.090 -3.545 1.00 0.36 C ATOM 692 C TRP A 42 -6.744 -7.464 -3.998 1.00 0.57 C ATOM 693 O TRP A 42 -7.448 -8.214 -3.317 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.201 -5.613 -3.113 1.00 0.18 C ATOM 695 CG TRP A 42 -4.212 -5.350 -2.010 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.927 -4.940 -2.129 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.433 -5.499 -0.579 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.349 -4.846 -0.874 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.212 -5.262 0.112 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.552 -5.835 0.199 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.087 -5.438 1.498 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.452 -5.965 1.597 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.219 -5.792 2.245 1.00 -0.15 C ATOM 0 H TRP A 42 -3.984 -6.521 -5.060 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.094 -7.709 -2.676 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.921 -5.017 -3.982 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.183 -5.266 -2.791 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.428 -4.720 -3.061 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.401 -4.510 -0.703 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.505 -5.996 -0.283 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.132 -5.303 1.983 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.332 -6.200 2.177 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.143 -5.931 3.313 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.155 -7.013 -5.189 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.460 -7.283 -5.785 1.00 0.36 C ATOM 716 C GLY A 43 -8.643 -8.739 -6.232 1.00 0.57 C ATOM 717 O GLY A 43 -9.750 -9.157 -6.564 1.00 -0.57 O ATOM 0 H GLY A 43 -6.564 -6.430 -5.782 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.238 -7.033 -5.064 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.600 -6.628 -6.645 1.00 0.36 H new ATOM 721 N LYS A 44 -7.581 -9.549 -6.215 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.660 -10.991 -6.425 1.00 0.36 C ATOM 723 C LYS A 44 -8.450 -11.682 -5.311 1.00 0.57 C ATOM 724 O LYS A 44 -8.986 -12.759 -5.558 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.248 -11.590 -6.572 1.00 0.00 C ATOM 726 CG LYS A 44 -5.931 -11.927 -8.038 1.00 0.00 C ATOM 727 CD LYS A 44 -4.471 -12.375 -8.197 1.00 0.00 C ATOM 728 CE LYS A 44 -4.080 -12.476 -9.678 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.148 -13.853 -10.205 1.00 -0.85 N ATOM 0 H LYS A 44 -6.631 -9.214 -6.053 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.203 -11.168 -7.353 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.510 -10.884 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.169 -12.492 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.597 -12.717 -8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.117 -11.054 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.814 -11.667 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.330 -13.342 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.739 -11.836 -10.265 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -3.067 -12.094 -9.806 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.873 -13.855 -11.208 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.500 -14.463 -9.667 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -5.119 -14.213 -10.112 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.565 -11.068 -4.124 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.317 -11.639 -3.008 1.00 0.36 C ATOM 745 C GLU A 45 -10.628 -10.885 -2.744 1.00 0.57 C ATOM 746 O GLU A 45 -11.537 -11.470 -2.151 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.449 -11.640 -1.743 1.00 0.00 C ATOM 748 CG GLU A 45 -7.191 -12.519 -1.817 1.00 0.06 C ATOM 749 CD GLU A 45 -7.487 -14.020 -1.974 1.00 0.66 C ATOM 750 OE1 GLU A 45 -8.418 -14.498 -1.346 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.687 -14.721 -2.772 1.00 -0.65 O ATOM 0 H GLU A 45 -8.139 -10.165 -3.916 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.580 -12.662 -3.279 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.145 -10.615 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.058 -11.974 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.579 -12.190 -2.657 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.601 -12.368 -0.913 1.00 0.06 H new ATOM 759 N ILE A 46 -10.756 -9.623 -3.187 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.959 -8.804 -2.989 1.00 0.36 C ATOM 761 C ILE A 46 -12.415 -8.181 -4.311 1.00 0.57 C ATOM 762 O ILE A 46 -11.583 -7.632 -5.026 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.746 -7.709 -1.919 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.448 -6.881 -2.095 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.798 -8.404 -0.560 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.411 -5.594 -1.264 1.00 0.00 C ATOM 0 H ILE A 46 -10.018 -9.139 -3.698 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.743 -9.468 -2.625 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.535 -6.963 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.594 -7.501 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.333 -6.625 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.652 -7.668 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.768 -8.884 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.011 -9.156 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.471 -5.072 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.243 -4.951 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.493 -5.842 -0.206 1.00 0.00 H new ATOM 778 N PRO A 47 -13.722 -8.198 -4.638 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.261 -7.613 -5.862 1.00 0.36 C ATOM 780 C PRO A 47 -14.325 -6.076 -5.748 1.00 0.57 C ATOM 781 O PRO A 47 -15.401 -5.465 -5.785 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.615 -8.303 -6.067 1.00 0.00 C ATOM 783 CG PRO A 47 -16.087 -8.606 -4.645 1.00 0.00 C ATOM 784 CD PRO A 47 -14.796 -8.784 -3.848 1.00 0.30 C ATOM 0 HA PRO A 47 -13.635 -7.777 -6.739 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.318 -7.657 -6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.515 -9.213 -6.658 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.692 -7.792 -4.245 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.701 -9.506 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.872 -8.294 -2.877 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.603 -9.840 -3.658 1.00 0.30 H new ATOM 792 N LEU A 48 -13.154 -5.463 -5.567 1.00 -0.73 N ATOM 793 CA LEU A 48 -12.940 -4.031 -5.479 1.00 0.36 C ATOM 794 C LEU A 48 -12.044 -3.665 -6.658 1.00 0.57 C ATOM 795 O LEU A 48 -10.980 -4.256 -6.841 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.295 -3.663 -4.125 1.00 0.00 C ATOM 797 CG LEU A 48 -12.757 -2.291 -3.601 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.002 -1.895 -2.335 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.579 -1.135 -4.571 1.00 0.00 C ATOM 0 H LEU A 48 -12.285 -5.989 -5.474 1.00 -0.73 H new ATOM 0 HA LEU A 48 -13.876 -3.475 -5.526 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.540 -4.430 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.210 -3.660 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.822 -2.442 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.352 -0.922 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.179 -2.639 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.935 -1.841 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.934 -0.214 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.524 -1.031 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.152 -1.329 -5.478 1.00 0.00 H new ATOM 811 N HIS A 49 -12.517 -2.721 -7.471 1.00 -0.73 N ATOM 812 CA HIS A 49 -11.851 -2.248 -8.673 1.00 0.36 C ATOM 813 C HIS A 49 -11.260 -0.864 -8.392 1.00 0.57 C ATOM 814 O HIS A 49 -11.501 -0.276 -7.335 1.00 -0.57 O ATOM 815 CB HIS A 49 -12.879 -2.207 -9.817 1.00 0.17 C ATOM 816 CG HIS A 49 -13.491 -3.552 -10.151 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.228 -4.355 -9.305 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -13.425 -4.202 -11.355 1.00 0.20 C ATOM 819 CE1 HIS A 49 -14.579 -5.460 -9.983 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.132 -5.404 -11.247 1.00 -0.70 N ATOM 0 H HIS A 49 -13.406 -2.251 -7.300 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.038 -2.912 -8.966 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.677 -1.514 -9.549 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.397 -1.808 -10.710 1.00 0.17 H new ATOM 0 HD2 HIS A 49 -12.914 -3.847 -12.238 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.144 -6.281 -9.568 1.00 0.65 H new ATOM 0 HE2 HIS A 49 -14.278 -6.098 -11.980 1.00 -0.70 H new ATOM 829 N PHE A 50 -10.521 -0.295 -9.346 1.00 -0.73 N ATOM 830 CA PHE A 50 -9.862 0.989 -9.146 1.00 0.36 C ATOM 831 C PHE A 50 -10.000 1.807 -10.424 1.00 0.57 C ATOM 832 O PHE A 50 -10.154 1.251 -11.514 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.398 0.799 -8.699 1.00 0.14 C ATOM 834 CG PHE A 50 -8.179 -0.453 -7.864 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.452 -0.455 -6.481 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -7.854 -1.661 -8.512 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.416 -1.661 -5.758 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -7.835 -2.868 -7.792 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.104 -2.867 -6.412 1.00 -0.15 C ATOM 0 H PHE A 50 -10.366 -0.708 -10.266 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.341 1.540 -8.337 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -7.759 0.755 -9.581 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.086 1.670 -8.123 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -8.689 0.470 -5.976 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -7.619 -1.660 -9.566 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -8.628 -1.661 -4.699 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.614 -3.796 -8.299 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.071 -3.791 -5.854 1.00 -0.15 H new ATOM 849 N ARG A 51 -9.961 3.132 -10.287 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.101 4.066 -11.400 1.00 0.36 C ATOM 851 C ARG A 51 -9.084 5.184 -11.239 1.00 0.57 C ATOM 852 O ARG A 51 -8.416 5.286 -10.214 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.542 4.622 -11.451 1.00 0.00 C ATOM 854 CG ARG A 51 -12.292 4.318 -12.765 1.00 0.00 C ATOM 855 CD ARG A 51 -13.613 3.574 -12.507 1.00 0.33 C ATOM 856 NE ARG A 51 -14.641 3.865 -13.522 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.360 4.989 -13.625 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.239 5.993 -12.756 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.207 5.109 -14.634 1.00 -0.97 N ATOM 0 H ARG A 51 -9.829 3.592 -9.386 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.912 3.552 -12.343 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.109 4.207 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.508 5.702 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.496 5.250 -13.291 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.657 3.717 -13.416 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.422 2.501 -12.487 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -13.993 3.848 -11.523 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.822 3.138 -14.214 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -14.581 5.919 -11.980 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -15.804 6.835 -12.867 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.301 4.354 -15.313 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -16.766 5.957 -14.733 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.009 6.057 -12.239 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.136 7.212 -12.204 1.00 0.36 C ATOM 875 C LYS A 52 -8.989 8.457 -12.436 1.00 0.57 C ATOM 876 O LYS A 52 -10.105 8.391 -12.972 1.00 -0.57 O ATOM 877 CB LYS A 52 -6.983 6.980 -13.198 1.00 0.00 C ATOM 878 CG LYS A 52 -5.883 8.047 -13.099 1.00 0.00 C ATOM 879 CD LYS A 52 -4.533 7.535 -13.616 1.00 0.00 C ATOM 880 CE LYS A 52 -3.402 8.405 -13.071 1.00 0.50 C ATOM 881 NZ LYS A 52 -2.080 7.882 -13.488 1.00 -0.85 N ATOM 0 H LYS A 52 -9.556 5.978 -13.096 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.652 7.368 -11.240 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.546 5.998 -13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.381 6.970 -14.212 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.179 8.926 -13.671 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.777 8.362 -12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.386 6.499 -13.310 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.522 7.550 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.521 9.428 -13.428 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.457 8.439 -11.983 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -1.330 8.372 -12.959 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.032 6.862 -13.291 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -1.948 8.045 -14.507 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.484 9.586 -11.952 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.069 10.899 -12.188 1.00 0.36 C ATOM 897 C VAL A 53 -8.438 11.507 -13.445 1.00 0.57 C ATOM 898 O VAL A 53 -7.581 10.900 -14.092 1.00 -0.57 O ATOM 899 CB VAL A 53 -8.908 11.789 -10.935 1.00 0.00 C ATOM 900 CG1 VAL A 53 -9.614 11.170 -9.720 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.441 12.056 -10.580 1.00 0.00 C ATOM 0 H VAL A 53 -7.643 9.614 -11.375 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.141 10.816 -12.366 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.374 12.742 -11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.483 11.819 -8.854 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.677 11.060 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.183 10.191 -9.509 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.390 12.686 -9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.936 11.110 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.952 12.562 -11.412 1.00 0.00 H new ATOM 911 N VAL A 54 -8.851 12.725 -13.793 1.00 -0.73 N ATOM 912 CA VAL A 54 -8.263 13.481 -14.895 1.00 0.36 C ATOM 913 C VAL A 54 -7.544 14.723 -14.364 1.00 0.57 C ATOM 914 O VAL A 54 -6.453 15.025 -14.842 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.334 13.800 -15.960 1.00 0.00 C ATOM 916 CG1 VAL A 54 -9.752 12.508 -16.683 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.590 14.482 -15.383 1.00 0.00 C ATOM 0 H VAL A 54 -9.607 13.216 -13.315 1.00 -0.73 H new ATOM 0 HA VAL A 54 -7.505 12.876 -15.393 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.876 14.505 -16.654 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.508 12.739 -17.433 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.882 12.065 -17.168 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.162 11.803 -15.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.300 14.677 -16.187 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.051 13.829 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.309 15.423 -14.911 1.00 0.00 H new ATOM 927 N TRP A 55 -8.109 15.392 -13.346 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.574 16.599 -12.733 1.00 0.36 C ATOM 929 C TRP A 55 -8.456 16.985 -11.539 1.00 0.57 C ATOM 930 O TRP A 55 -9.467 17.677 -11.701 1.00 -0.57 O ATOM 931 CB TRP A 55 -7.471 17.742 -13.760 1.00 0.18 C ATOM 932 CG TRP A 55 -6.074 18.091 -14.156 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -5.513 17.924 -15.376 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -5.025 18.650 -13.308 1.00 0.00 C ATOM 935 NE1 TRP A 55 -4.227 18.425 -15.362 1.00 0.03 N ATOM 936 CE2 TRP A 55 -3.862 18.854 -14.106 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -4.940 19.007 -11.945 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -2.683 19.406 -13.591 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -3.755 19.549 -11.412 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -2.631 19.756 -12.230 1.00 -0.15 C ATOM 0 H TRP A 55 -8.984 15.088 -12.918 1.00 -0.73 H new ATOM 0 HA TRP A 55 -6.562 16.409 -12.375 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -8.030 17.463 -14.653 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -7.951 18.629 -13.347 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -5.996 17.469 -16.228 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -3.622 18.472 -16.182 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -5.796 18.862 -11.302 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -1.826 19.561 -14.230 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -3.709 19.808 -10.365 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -1.730 20.183 -11.815 1.00 -0.15 H new ATOM 951 N GLY A 56 -8.058 16.503 -10.359 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.665 16.756 -9.063 1.00 0.36 C ATOM 953 C GLY A 56 -7.998 15.836 -8.037 1.00 0.57 C ATOM 954 O GLY A 56 -7.192 14.976 -8.413 1.00 -0.57 O ATOM 0 H GLY A 56 -7.249 15.886 -10.286 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.535 17.800 -8.779 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.738 16.568 -9.102 1.00 0.36 H new ATOM 958 N THR A 57 -8.310 16.015 -6.751 1.00 -0.73 N ATOM 959 CA THR A 57 -7.946 15.067 -5.703 1.00 0.36 C ATOM 960 C THR A 57 -8.728 13.754 -5.882 1.00 0.57 C ATOM 961 O THR A 57 -9.675 13.679 -6.667 1.00 -0.57 O ATOM 962 CB THR A 57 -8.161 15.724 -4.323 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.353 16.489 -4.286 1.00 -0.68 O ATOM 964 CG2 THR A 57 -6.988 16.662 -4.006 1.00 0.00 C ATOM 0 H THR A 57 -8.825 16.827 -6.409 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.890 14.806 -5.773 1.00 0.36 H new ATOM 0 HB THR A 57 -8.230 14.920 -3.590 1.00 0.28 H new ATOM 0 HG1 THR A 57 -9.458 16.889 -3.397 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -7.144 17.123 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.059 16.092 -3.993 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.926 17.438 -4.769 1.00 0.00 H new ATOM 972 N ALA A 58 -8.316 12.699 -5.169 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.871 11.362 -5.317 1.00 0.36 C ATOM 974 C ALA A 58 -8.877 10.642 -3.968 1.00 0.57 C ATOM 975 O ALA A 58 -8.341 11.147 -2.975 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.042 10.597 -6.353 1.00 0.00 C ATOM 0 H ALA A 58 -7.579 12.758 -4.467 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.903 11.420 -5.662 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.448 9.592 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.080 11.121 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.008 10.533 -6.016 1.00 0.00 H new ATOM 982 N ASP A 59 -9.482 9.451 -3.943 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.597 8.670 -2.726 1.00 0.36 C ATOM 984 C ASP A 59 -8.214 8.080 -2.370 1.00 0.57 C ATOM 985 O ASP A 59 -7.896 8.027 -1.185 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.632 7.544 -2.865 1.00 0.06 C ATOM 987 CG ASP A 59 -11.932 7.790 -3.664 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.055 7.154 -4.698 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.922 8.554 -3.211 1.00 -0.65 O ATOM 0 H ASP A 59 -9.900 9.011 -4.763 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.940 9.328 -1.928 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.127 6.692 -3.320 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.921 7.242 -1.858 1.00 0.06 H new ATOM 995 N ILE A 60 -7.384 7.724 -3.375 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.024 7.167 -3.238 1.00 0.36 C ATOM 997 C ILE A 60 -5.033 8.106 -3.958 1.00 0.57 C ATOM 998 O ILE A 60 -4.594 7.870 -5.081 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.924 5.711 -3.782 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.015 4.743 -3.282 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.529 5.113 -3.491 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.199 3.515 -4.197 1.00 0.00 C ATOM 0 H ILE A 60 -7.660 7.823 -4.352 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.773 7.108 -2.179 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.087 5.811 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.760 4.405 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.961 5.279 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.481 4.096 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.764 5.722 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.356 5.099 -2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.980 2.873 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.483 3.845 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.263 2.958 -4.251 1.00 0.00 H new ATOM 1014 N MET A 61 -4.696 9.233 -3.349 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.596 10.086 -3.767 1.00 0.36 C ATOM 1016 C MET A 61 -2.282 9.351 -3.457 1.00 0.57 C ATOM 1017 O MET A 61 -2.102 8.840 -2.349 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.703 11.425 -3.021 1.00 0.00 C ATOM 1019 CG MET A 61 -2.680 12.477 -3.456 1.00 0.23 C ATOM 1020 SD MET A 61 -2.245 13.639 -2.127 1.00 -0.46 S ATOM 1021 CE MET A 61 -3.147 15.126 -2.640 1.00 0.23 C ATOM 0 H MET A 61 -5.192 9.587 -2.531 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.627 10.298 -4.836 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.705 11.829 -3.167 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.585 11.242 -1.953 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.776 11.975 -3.802 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.079 13.035 -4.303 1.00 0.23 H new ATOM 0 HE1 MET A 61 -3.492 15.665 -1.758 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.487 15.769 -3.223 1.00 0.23 H new ATOM 0 HE3 MET A 61 -4.005 14.839 -3.248 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.354 9.333 -4.420 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.034 8.731 -4.257 1.00 0.36 C ATOM 1033 C ILE A 62 0.973 9.886 -4.348 1.00 0.57 C ATOM 1034 O ILE A 62 1.176 10.451 -5.424 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.228 7.555 -5.235 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.952 6.563 -5.360 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.401 6.692 -4.737 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.887 6.878 -6.515 1.00 0.00 C ATOM 0 H ILE A 62 -1.504 9.741 -5.343 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.062 8.239 -3.289 1.00 0.36 H new ATOM 0 HB ILE A 62 0.414 8.042 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.557 5.555 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.521 6.568 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.571 5.872 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.300 7.304 -4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.163 6.288 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.691 6.143 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.310 7.873 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.332 6.844 -7.452 1.00 0.00 H new ATOM 1050 N GLY A 63 1.536 10.270 -3.195 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.287 11.504 -2.981 1.00 0.36 C ATOM 1052 C GLY A 63 3.740 11.212 -2.639 1.00 0.57 C ATOM 1053 O GLY A 63 4.154 11.312 -1.483 1.00 -0.57 O ATOM 0 H GLY A 63 1.475 9.700 -2.351 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.239 12.122 -3.878 1.00 0.36 H new ATOM 0 HA3 GLY A 63 1.829 12.076 -2.174 1.00 0.36 H new ATOM 1057 N PHE A 64 4.513 10.804 -3.645 1.00 -0.73 N ATOM 1058 CA PHE A 64 5.904 10.400 -3.502 1.00 0.36 C ATOM 1059 C PHE A 64 6.819 11.439 -4.132 1.00 0.57 C ATOM 1060 O PHE A 64 6.535 11.890 -5.239 1.00 -0.57 O ATOM 1061 CB PHE A 64 6.122 9.006 -4.112 1.00 0.14 C ATOM 1062 CG PHE A 64 5.583 8.749 -5.507 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 4.194 8.643 -5.698 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.447 8.524 -6.592 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 3.664 8.344 -6.957 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 5.915 8.209 -7.855 1.00 -0.15 C ATOM 1067 CZ PHE A 64 4.525 8.143 -8.044 1.00 -0.15 C ATOM 0 H PHE A 64 4.176 10.745 -4.606 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.151 10.337 -2.442 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.194 8.812 -4.127 1.00 0.14 H new ATOM 0 HB3 PHE A 64 5.674 8.273 -3.440 1.00 0.14 H new ATOM 0 HD1 PHE A 64 3.528 8.794 -4.862 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.516 8.593 -6.456 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 2.595 8.268 -7.091 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.579 8.017 -8.685 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.121 7.938 -9.024 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.880 11.843 -3.427 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.879 12.799 -3.906 1.00 0.36 C ATOM 1079 C ALA A 65 10.141 12.652 -3.049 1.00 0.57 C ATOM 1080 O ALA A 65 10.126 11.909 -2.068 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.355 14.238 -3.819 1.00 0.00 C ATOM 0 H ALA A 65 8.071 11.505 -2.484 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.102 12.589 -4.952 1.00 0.36 H new ATOM 0 HB1 ALA A 65 9.119 14.926 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.458 14.336 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.115 14.476 -2.783 1.00 0.00 H new ATOM 1087 N ARG A 66 11.232 13.323 -3.428 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.531 13.171 -2.776 1.00 0.36 C ATOM 1089 C ARG A 66 12.684 14.198 -1.661 1.00 0.57 C ATOM 1090 O ARG A 66 12.828 15.382 -1.973 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.664 13.382 -3.797 1.00 0.00 C ATOM 1092 CG ARG A 66 13.628 12.386 -4.954 1.00 0.00 C ATOM 1093 CD ARG A 66 14.901 12.303 -5.796 1.00 0.33 C ATOM 1094 NE ARG A 66 14.897 13.321 -6.855 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.271 14.601 -6.721 1.00 1.20 C ATOM 1096 NH1 ARG A 66 15.803 15.034 -5.574 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 15.084 15.449 -7.737 1.00 -0.97 N ATOM 0 H ARG A 66 11.237 13.990 -4.200 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.589 12.165 -2.361 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.600 14.394 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.624 13.301 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.416 11.396 -4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.797 12.648 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.774 12.440 -5.157 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.984 11.311 -6.240 1.00 0.33 H new ATOM 0 HE ARG A 66 14.580 13.026 -7.779 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 15.927 14.389 -4.794 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.085 16.010 -5.479 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.660 15.120 -8.604 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.365 16.425 -7.645 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.741 13.757 -0.397 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.099 14.635 0.714 1.00 0.36 C ATOM 1113 C GLY A 67 12.083 15.767 0.880 1.00 0.57 C ATOM 1114 O GLY A 67 12.383 16.919 0.560 1.00 -0.57 O ATOM 0 H GLY A 67 12.543 12.795 -0.123 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.154 14.055 1.635 1.00 0.36 H new ATOM 0 HA3 GLY A 67 14.090 15.056 0.543 1.00 0.36 H new ATOM 1118 N ALA A 68 10.887 15.393 1.355 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.662 16.186 1.499 1.00 0.36 C ATOM 1120 C ALA A 68 8.896 16.286 0.171 1.00 0.57 C ATOM 1121 O ALA A 68 9.487 16.346 -0.906 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.916 17.578 2.108 1.00 0.00 C ATOM 0 H ALA A 68 10.741 14.437 1.678 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.033 15.650 2.210 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.972 18.117 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.357 17.467 3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.599 18.136 1.467 1.00 0.00 H new ATOM 1128 N HIS A 69 7.562 16.354 0.263 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.641 16.462 -0.883 1.00 0.36 C ATOM 1130 C HIS A 69 5.630 17.613 -0.730 1.00 0.57 C ATOM 1131 O HIS A 69 4.934 17.955 -1.692 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.895 15.124 -1.076 1.00 0.17 C ATOM 1133 CG HIS A 69 5.356 14.543 0.204 1.00 0.18 C ATOM 1134 ND1 HIS A 69 4.733 15.238 1.211 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 5.595 13.280 0.671 1.00 0.20 C ATOM 1136 CE1 HIS A 69 4.679 14.437 2.278 1.00 0.65 C ATOM 1137 NE2 HIS A 69 5.147 13.213 1.994 1.00 -0.70 N ATOM 0 H HIS A 69 7.077 16.335 1.160 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.244 16.687 -1.763 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.070 15.275 -1.772 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.572 14.404 -1.535 1.00 0.17 H new ATOM 0 HD1 HIS A 69 4.377 16.192 1.154 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 6.051 12.474 0.115 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.306 14.737 3.246 1.00 0.65 H new ATOM 1146 N GLY A 70 5.536 18.207 0.473 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.662 19.341 0.731 1.00 0.36 C ATOM 1148 C GLY A 70 3.217 18.918 0.994 1.00 0.57 C ATOM 1149 O GLY A 70 2.324 19.402 0.304 1.00 -0.57 O ATOM 0 H GLY A 70 6.069 17.906 1.288 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 5.037 19.896 1.591 1.00 0.36 H new ATOM 0 HA3 GLY A 70 4.689 20.018 -0.123 1.00 0.36 H new ATOM 1153 N ASP A 71 2.994 18.039 1.984 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.647 17.632 2.419 1.00 0.36 C ATOM 1155 C ASP A 71 1.474 17.879 3.925 1.00 0.57 C ATOM 1156 O ASP A 71 0.590 18.636 4.319 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.340 16.175 1.992 1.00 0.06 C ATOM 1158 CG ASP A 71 1.094 15.198 3.150 1.00 0.66 C ATOM 1159 OD1 ASP A 71 -0.055 15.058 3.535 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.149 14.553 3.638 1.00 -0.65 O ATOM 0 H ASP A 71 3.745 17.589 2.507 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.905 18.251 1.915 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.461 16.179 1.347 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.173 15.804 1.394 1.00 0.06 H new ATOM 1166 N SER A 72 2.368 17.302 4.735 1.00 -0.73 N ATOM 1167 CA SER A 72 2.375 17.347 6.194 1.00 0.36 C ATOM 1168 C SER A 72 3.724 16.802 6.680 1.00 0.57 C ATOM 1169 O SER A 72 4.348 17.408 7.554 1.00 -0.57 O ATOM 1170 CB SER A 72 1.226 16.480 6.759 1.00 0.28 C ATOM 1171 OG SER A 72 0.131 17.249 7.244 1.00 -0.68 O ATOM 0 H SER A 72 3.149 16.761 4.365 1.00 -0.73 H new ATOM 0 HA SER A 72 2.233 18.372 6.537 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.871 15.805 5.980 1.00 0.28 H new ATOM 0 HB3 SER A 72 1.612 15.859 7.567 1.00 0.28 H new ATOM 0 HG SER A 72 -0.564 16.649 7.586 1.00 -0.68 H new ATOM 1177 N TYR A 73 4.195 15.688 6.095 1.00 -0.73 N ATOM 1178 CA TYR A 73 5.438 15.033 6.496 1.00 0.36 C ATOM 1179 C TYR A 73 6.591 15.460 5.576 1.00 0.57 C ATOM 1180 O TYR A 73 6.514 15.226 4.373 1.00 -0.57 O ATOM 1181 CB TYR A 73 5.234 13.516 6.451 1.00 0.14 C ATOM 1182 CG TYR A 73 4.360 13.009 7.582 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 4.872 12.975 8.895 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 3.023 12.639 7.338 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 4.054 12.575 9.965 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 2.197 12.255 8.406 1.00 -0.15 C ATOM 1187 CZ TYR A 73 2.707 12.220 9.720 1.00 0.08 C ATOM 1188 OH TYR A 73 1.858 11.912 10.739 1.00 -0.53 O ATOM 0 H TYR A 73 3.716 15.219 5.326 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.700 15.330 7.511 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.782 13.242 5.498 1.00 0.14 H new ATOM 0 HB3 TYR A 73 6.204 13.022 6.497 1.00 0.14 H new ATOM 0 HD1 TYR A 73 5.898 13.258 9.079 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.634 12.651 6.331 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 4.451 12.539 10.969 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 1.168 11.986 8.221 1.00 -0.15 H new ATOM 0 HH TYR A 73 0.975 11.695 10.374 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.679 16.057 6.103 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.860 16.371 5.309 1.00 0.36 C ATOM 1200 C PRO A 74 9.750 15.149 5.039 1.00 0.57 C ATOM 1201 O PRO A 74 10.792 15.314 4.409 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.606 17.463 6.079 1.00 0.00 C ATOM 1203 CG PRO A 74 9.192 17.252 7.535 1.00 0.00 C ATOM 1204 CD PRO A 74 7.853 16.513 7.473 1.00 0.30 C ATOM 0 HA PRO A 74 8.568 16.710 4.315 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.685 17.370 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.329 18.457 5.727 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.938 16.669 8.075 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.092 18.204 8.057 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.846 15.670 8.163 1.00 0.30 H new ATOM 0 HD3 PRO A 74 7.036 17.172 7.766 1.00 0.30 H new ATOM 1212 N PHE A 75 9.348 13.941 5.464 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.150 12.730 5.313 1.00 0.36 C ATOM 1214 C PHE A 75 11.541 12.912 5.965 1.00 0.57 C ATOM 1215 O PHE A 75 11.696 13.664 6.933 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.138 12.299 3.822 1.00 0.14 C ATOM 1217 CG PHE A 75 9.139 11.214 3.466 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 9.288 9.912 3.983 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.090 11.493 2.569 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 8.377 8.902 3.633 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.193 10.476 2.204 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.330 9.191 2.745 1.00 -0.15 C ATOM 0 H PHE A 75 8.451 13.783 5.924 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.721 11.890 5.860 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.930 13.176 3.210 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.136 11.953 3.554 1.00 0.14 H new ATOM 0 HD1 PHE A 75 10.107 9.690 4.652 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 7.976 12.487 2.163 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 8.482 7.909 4.045 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.396 10.685 1.505 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.625 8.418 2.477 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.516 12.138 5.495 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.841 11.907 6.051 1.00 0.36 C ATOM 1234 C ASP A 76 14.845 11.781 4.888 1.00 0.57 C ATOM 1235 O ASP A 76 15.934 12.352 4.963 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.788 10.576 6.849 1.00 0.06 C ATOM 1237 CG ASP A 76 13.136 9.377 6.124 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.568 9.533 5.055 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 13.193 8.163 6.663 1.00 -0.65 O ATOM 0 H ASP A 76 12.383 11.608 4.634 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.148 12.724 6.703 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.806 10.299 7.124 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.245 10.753 7.777 1.00 0.06 H new ATOM 1245 N GLY A 77 14.483 11.083 3.804 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.329 10.827 2.652 1.00 0.36 C ATOM 1247 C GLY A 77 15.780 9.358 2.641 1.00 0.57 C ATOM 1248 O GLY A 77 15.041 8.494 3.115 1.00 -0.57 O ATOM 0 H GLY A 77 13.555 10.669 3.711 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.786 11.055 1.735 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.200 11.482 2.678 1.00 0.36 H new ATOM 1252 N PRO A 78 16.973 9.053 2.096 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.475 7.693 1.905 1.00 0.36 C ATOM 1254 C PRO A 78 17.908 7.060 3.242 1.00 0.57 C ATOM 1255 O PRO A 78 19.036 7.266 3.695 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.632 7.839 0.905 1.00 0.00 C ATOM 1257 CG PRO A 78 19.158 9.255 1.140 1.00 0.00 C ATOM 1258 CD PRO A 78 17.938 10.033 1.624 1.00 0.30 C ATOM 0 HA PRO A 78 16.713 7.015 1.522 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.407 7.093 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.290 7.707 -0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.957 9.265 1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.567 9.685 0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.211 10.722 2.423 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.517 10.632 0.817 1.00 0.30 H new ATOM 1266 N GLY A 79 17.011 6.306 3.889 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.226 5.658 5.186 1.00 0.36 C ATOM 1268 C GLY A 79 15.998 5.867 6.067 1.00 0.57 C ATOM 1269 O GLY A 79 15.188 6.716 5.733 1.00 -0.57 O ATOM 0 H GLY A 79 16.082 6.125 3.509 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.410 4.593 5.047 1.00 0.36 H new ATOM 0 HA3 GLY A 79 18.110 6.073 5.670 1.00 0.36 H new ATOM 1273 N ASN A 80 15.864 5.164 7.203 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.662 5.191 8.063 1.00 0.36 C ATOM 1275 C ASN A 80 13.352 5.001 7.249 1.00 0.57 C ATOM 1276 O ASN A 80 13.376 4.271 6.260 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.705 6.429 8.989 1.00 0.06 C ATOM 1278 CG ASN A 80 13.906 6.237 10.275 1.00 0.57 C ATOM 1279 OD1 ASN A 80 14.096 5.253 10.977 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.023 7.160 10.628 1.00 -0.80 N ATOM 0 H ASN A 80 16.597 4.550 7.558 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.665 4.327 8.727 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.742 6.652 9.241 1.00 0.06 H new ATOM 0 HB3 ASN A 80 14.315 7.293 8.451 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.493 7.054 11.493 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.873 7.976 10.035 1.00 -0.80 H new ATOM 1287 N THR A 81 12.206 5.553 7.674 1.00 -0.73 N ATOM 1288 CA THR A 81 10.875 5.418 7.062 1.00 0.36 C ATOM 1289 C THR A 81 10.881 5.633 5.533 1.00 0.57 C ATOM 1290 O THR A 81 11.083 6.744 5.053 1.00 -0.57 O ATOM 1291 CB THR A 81 9.934 6.422 7.761 1.00 0.28 C ATOM 1292 OG1 THR A 81 10.105 6.339 9.167 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.452 6.195 7.444 1.00 0.00 C ATOM 0 H THR A 81 12.182 6.142 8.506 1.00 -0.73 H new ATOM 0 HA THR A 81 10.528 4.394 7.203 1.00 0.36 H new ATOM 0 HB THR A 81 10.206 7.407 7.381 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.508 6.979 9.608 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.850 6.937 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.291 6.291 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.160 5.196 7.767 1.00 0.00 H new ATOM 1301 N LEU A 82 10.644 4.580 4.745 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.696 4.615 3.283 1.00 0.36 C ATOM 1303 C LEU A 82 9.409 5.182 2.662 1.00 0.57 C ATOM 1304 O LEU A 82 9.460 5.807 1.599 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.953 3.199 2.728 1.00 0.00 C ATOM 1306 CG LEU A 82 12.320 2.591 3.116 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.368 1.858 4.467 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.733 1.566 2.061 1.00 0.00 C ATOM 0 H LEU A 82 10.406 3.660 5.115 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.515 5.280 3.010 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.163 2.536 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.880 3.231 1.641 1.00 0.00 H new ATOM 0 HG LEU A 82 12.985 3.452 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.373 1.473 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.106 2.551 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.659 1.030 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.697 1.134 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.984 0.776 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.813 2.055 1.090 1.00 0.00 H new ATOM 1320 N ALA A 83 8.254 4.962 3.307 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.948 5.410 2.838 1.00 0.36 C ATOM 1322 C ALA A 83 5.981 5.521 4.025 1.00 0.57 C ATOM 1323 O ALA A 83 6.237 4.937 5.078 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.437 4.453 1.751 1.00 0.00 C ATOM 0 H ALA A 83 8.208 4.454 4.191 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.025 6.401 2.391 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.461 4.788 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.138 4.443 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.349 3.448 2.163 1.00 0.00 H new ATOM 1330 N HIS A 84 4.888 6.271 3.886 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.853 6.397 4.902 1.00 0.36 C ATOM 1332 C HIS A 84 2.495 6.568 4.226 1.00 0.57 C ATOM 1333 O HIS A 84 2.375 7.271 3.225 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.157 7.574 5.849 1.00 0.17 C ATOM 1335 CG HIS A 84 4.106 8.958 5.231 1.00 0.18 C ATOM 1336 ND1 HIS A 84 5.181 9.719 4.840 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.984 9.705 4.977 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.714 10.876 4.347 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.373 10.931 4.417 1.00 -0.70 N ATOM 0 H HIS A 84 4.697 6.817 3.046 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.832 5.490 5.506 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.447 7.541 6.676 1.00 0.17 H new ATOM 0 HB3 HIS A 84 5.149 7.425 6.274 1.00 0.17 H new ATOM 0 HD1 HIS A 84 6.163 9.451 4.912 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 1.967 9.399 5.176 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.336 11.662 3.945 1.00 0.65 H new ATOM 1348 N ALA A 85 1.451 6.006 4.836 1.00 -0.73 N ATOM 1349 CA ALA A 85 0.091 6.074 4.332 1.00 0.36 C ATOM 1350 C ALA A 85 -0.873 6.264 5.494 1.00 0.57 C ATOM 1351 O ALA A 85 -0.517 6.033 6.653 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.238 4.790 3.560 1.00 0.00 C ATOM 0 H ALA A 85 1.535 5.484 5.708 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.008 6.922 3.654 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.259 4.844 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.452 4.681 2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.141 3.931 4.224 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.104 6.663 5.172 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.108 7.008 6.170 1.00 0.36 C ATOM 1360 C PHE A 86 -4.268 6.015 6.092 1.00 0.57 C ATOM 1361 O PHE A 86 -4.480 5.374 5.062 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.553 8.464 5.968 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.424 9.411 5.582 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.362 9.693 6.461 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.389 9.935 4.281 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.299 10.512 6.037 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.346 10.774 3.868 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.296 11.072 4.747 1.00 -0.15 C ATOM 0 H PHE A 86 -2.430 6.755 4.210 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.692 6.936 7.175 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.319 8.494 5.193 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.015 8.822 6.888 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.363 9.282 7.460 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.179 9.688 3.587 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.522 10.712 6.709 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.351 11.191 2.872 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.507 11.725 4.437 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.023 5.872 7.187 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.202 5.009 7.207 1.00 0.36 C ATOM 1380 C ALA A 87 -7.271 5.585 6.265 1.00 0.57 C ATOM 1381 O ALA A 87 -7.324 6.805 6.118 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.731 4.901 8.640 1.00 0.00 C ATOM 0 H ALA A 87 -4.835 6.345 8.071 1.00 -0.73 H new ATOM 0 HA ALA A 87 -5.940 4.009 6.861 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.611 4.257 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.959 4.476 9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.000 5.892 9.004 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.106 4.763 5.606 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.150 5.251 4.718 1.00 0.36 C ATOM 1390 C PRO A 88 -10.294 5.884 5.507 1.00 0.57 C ATOM 1391 O PRO A 88 -10.492 5.596 6.690 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.623 4.046 3.907 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.139 2.820 4.670 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.209 3.327 5.773 1.00 0.30 C ATOM 0 HA PRO A 88 -8.773 6.034 4.060 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -10.709 4.042 3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.211 4.067 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.980 2.272 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.614 2.134 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.606 3.080 6.758 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.228 2.858 5.698 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.070 6.724 4.822 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.235 7.380 5.386 1.00 0.36 C ATOM 1404 C GLY A 89 -12.742 8.418 4.397 1.00 0.57 C ATOM 1405 O GLY A 89 -13.627 8.123 3.593 1.00 -0.57 O ATOM 0 H GLY A 89 -10.899 6.967 3.846 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.015 6.648 5.597 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.979 7.855 6.333 1.00 0.36 H new ATOM 1409 N THR A 90 -12.148 9.613 4.416 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.490 10.698 3.505 1.00 0.36 C ATOM 1411 C THR A 90 -11.309 11.677 3.456 1.00 0.57 C ATOM 1412 O THR A 90 -10.611 11.860 4.457 1.00 -0.57 O ATOM 1413 CB THR A 90 -13.824 11.338 3.965 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.260 12.292 3.023 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -13.805 12.006 5.346 1.00 0.00 C ATOM 0 H THR A 90 -11.407 9.854 5.074 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.654 10.347 2.486 1.00 0.36 H new ATOM 0 HB THR A 90 -14.507 10.492 4.044 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.104 12.687 3.325 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -14.790 12.419 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.546 11.267 6.104 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.066 12.807 5.353 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.065 12.300 2.296 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.029 13.317 2.160 1.00 0.36 C ATOM 1425 C GLY A 91 -8.652 12.668 2.134 1.00 0.57 C ATOM 1426 O GLY A 91 -8.464 11.724 1.370 1.00 -0.57 O ATOM 0 H GLY A 91 -11.579 12.111 1.435 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.187 13.887 1.244 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.091 14.022 2.989 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.698 13.163 2.941 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.332 12.625 3.022 1.00 0.36 C ATOM 1432 C LEU A 92 -6.322 11.129 3.389 1.00 0.57 C ATOM 1433 O LEU A 92 -5.384 10.414 3.044 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.505 13.436 4.042 1.00 0.00 C ATOM 1435 CG LEU A 92 -3.997 13.079 4.066 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.166 13.969 3.135 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.453 13.132 5.498 1.00 0.00 C ATOM 0 H LEU A 92 -7.857 13.957 3.562 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.880 12.718 2.035 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.612 14.497 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.920 13.277 5.037 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.905 12.060 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.118 13.676 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.520 13.855 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.268 15.010 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.393 12.878 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.584 14.137 5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.994 12.419 6.120 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.360 10.627 4.069 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.467 9.214 4.390 1.00 0.36 C ATOM 1451 C GLY A 93 -7.170 8.323 3.179 1.00 0.57 C ATOM 1452 O GLY A 93 -7.504 8.671 2.041 1.00 -0.57 O ATOM 0 H GLY A 93 -8.140 11.191 4.406 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.774 8.972 5.196 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.471 9.001 4.758 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.499 7.197 3.432 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.083 6.198 2.457 1.00 0.36 C ATOM 1458 C GLY A 94 -4.798 6.555 1.716 1.00 0.57 C ATOM 1459 O GLY A 94 -4.098 5.656 1.250 1.00 -0.57 O ATOM 0 H GLY A 94 -6.217 6.948 4.380 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -5.944 5.244 2.966 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.883 6.059 1.730 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.494 7.852 1.583 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.452 8.323 0.674 1.00 0.36 C ATOM 1465 C ASP A 95 -2.095 7.832 1.162 1.00 0.57 C ATOM 1466 O ASP A 95 -1.877 7.659 2.364 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.545 9.859 0.529 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.919 10.234 -0.047 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.448 9.464 -0.832 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.564 11.342 0.307 1.00 -0.65 O ATOM 0 H ASP A 95 -4.962 8.596 2.100 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.590 7.912 -0.326 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.402 10.336 1.498 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.752 10.222 -0.125 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.186 7.594 0.213 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.073 6.900 0.444 1.00 0.36 C ATOM 1478 C ALA A 96 1.199 7.709 -0.179 1.00 0.57 C ATOM 1479 O ALA A 96 1.020 8.349 -1.215 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.001 5.490 -0.143 1.00 0.00 C ATOM 0 H ALA A 96 -1.312 7.887 -0.756 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.265 6.803 1.513 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.945 4.974 0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.808 4.938 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.185 5.551 -1.215 1.00 0.00 H new ATOM 1486 N HIS A 97 2.337 7.774 0.499 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.348 8.794 0.271 1.00 0.36 C ATOM 1488 C HIS A 97 4.694 8.109 0.461 1.00 0.57 C ATOM 1489 O HIS A 97 4.830 7.289 1.356 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.158 9.933 1.290 1.00 0.17 C ATOM 1491 CG HIS A 97 1.991 10.876 1.056 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.085 12.249 1.114 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 0.662 10.571 0.922 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.868 12.757 0.842 1.00 0.65 C ATOM 1495 NE2 HIS A 97 -0.014 11.752 0.718 1.00 -0.70 N ATOM 0 H HIS A 97 2.586 7.110 1.232 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.279 9.229 -0.726 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.042 9.488 2.278 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.073 10.525 1.312 1.00 0.17 H new ATOM 0 HD1 HIS A 97 2.926 12.785 1.325 1.00 -0.70 H new ATOM 0 HD2 HIS A 97 0.225 9.584 0.968 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.638 13.807 0.740 1.00 0.65 H new ATOM 1504 N PHE A 98 5.693 8.408 -0.370 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.908 7.597 -0.453 1.00 0.36 C ATOM 1506 C PHE A 98 8.093 8.534 -0.663 1.00 0.57 C ATOM 1507 O PHE A 98 7.936 9.577 -1.307 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.827 6.537 -1.581 1.00 0.14 C ATOM 1509 CG PHE A 98 5.553 5.695 -1.710 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.299 6.281 -1.994 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.622 4.292 -1.581 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.132 5.505 -2.015 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.457 3.507 -1.662 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.206 4.116 -1.848 1.00 -0.15 C ATOM 0 H PHE A 98 5.684 9.211 -0.999 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.029 7.040 0.476 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.980 7.052 -2.530 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.664 5.851 -1.451 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.239 7.340 -2.197 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.578 3.816 -1.419 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.173 5.979 -2.160 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.526 2.432 -1.581 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.307 3.518 -1.862 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.275 8.181 -0.151 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.470 8.948 -0.473 1.00 0.36 C ATOM 1526 C ASP A 99 10.949 8.482 -1.841 1.00 0.57 C ATOM 1527 O ASP A 99 11.500 7.392 -1.967 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.579 8.790 0.574 1.00 0.06 C ATOM 1529 CG ASP A 99 12.081 10.142 1.074 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.258 10.240 2.277 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.336 11.101 0.189 1.00 -0.65 O ATOM 0 H ASP A 99 9.424 7.388 0.473 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.224 10.010 -0.479 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.204 8.207 1.415 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.409 8.230 0.143 1.00 0.06 H new ATOM 1537 N GLU A 100 10.754 9.288 -2.884 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.307 9.022 -4.215 1.00 0.36 C ATOM 1539 C GLU A 100 12.845 8.894 -4.152 1.00 0.57 C ATOM 1540 O GLU A 100 13.447 8.312 -5.049 1.00 -0.57 O ATOM 1541 CB GLU A 100 10.826 10.121 -5.175 1.00 0.00 C ATOM 1542 CG GLU A 100 11.118 9.884 -6.665 1.00 0.06 C ATOM 1543 CD GLU A 100 11.631 11.138 -7.397 1.00 0.66 C ATOM 1544 OE1 GLU A 100 12.677 11.062 -8.020 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 10.917 12.255 -7.298 1.00 -0.65 O ATOM 0 H GLU A 100 10.207 10.147 -2.831 1.00 -0.73 H new ATOM 0 HA GLU A 100 10.948 8.066 -4.596 1.00 0.36 H new ATOM 0 HB2 GLU A 100 9.750 10.241 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.288 11.063 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.858 9.089 -6.760 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.209 9.534 -7.154 1.00 0.06 H new ATOM 1553 N ASP A 101 13.483 9.418 -3.089 1.00 -0.73 N ATOM 1554 CA ASP A 101 14.938 9.395 -2.906 1.00 0.36 C ATOM 1555 C ASP A 101 15.437 7.972 -2.611 1.00 0.57 C ATOM 1556 O ASP A 101 16.575 7.621 -2.930 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.343 10.342 -1.759 1.00 0.06 C ATOM 1558 CG ASP A 101 16.707 11.009 -2.021 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.731 10.455 -1.656 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.695 12.182 -2.647 1.00 -0.65 O ATOM 0 H ASP A 101 12.989 9.876 -2.323 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.400 9.733 -3.833 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.580 11.111 -1.636 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.385 9.783 -0.824 1.00 0.06 H new ATOM 1566 N GLU A 102 14.582 7.141 -2.007 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.889 5.749 -1.703 1.00 0.36 C ATOM 1568 C GLU A 102 14.803 4.989 -3.033 1.00 0.57 C ATOM 1569 O GLU A 102 13.706 4.875 -3.569 1.00 -0.57 O ATOM 1570 CB GLU A 102 13.873 5.200 -0.679 1.00 0.00 C ATOM 1571 CG GLU A 102 13.806 5.985 0.651 1.00 0.06 C ATOM 1572 CD GLU A 102 14.540 5.363 1.841 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.172 5.707 2.952 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.574 4.558 1.612 1.00 -0.65 O ATOM 0 H GLU A 102 13.647 7.424 -1.714 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.879 5.638 -1.262 1.00 0.36 H new ATOM 0 HB2 GLU A 102 12.883 5.200 -1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.124 4.162 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.212 6.982 0.481 1.00 0.06 H new ATOM 0 HG3 GLU A 102 12.758 6.110 0.922 1.00 0.06 H new ATOM 1582 N ARG A 103 15.932 4.506 -3.587 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.970 3.879 -4.919 1.00 0.36 C ATOM 1584 C ARG A 103 14.832 2.879 -5.099 1.00 0.57 C ATOM 1585 O ARG A 103 14.873 1.813 -4.485 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.306 3.166 -5.225 1.00 0.00 C ATOM 1587 CG ARG A 103 18.218 3.950 -6.178 1.00 0.00 C ATOM 1588 CD ARG A 103 19.209 4.853 -5.443 1.00 0.33 C ATOM 1589 NE ARG A 103 20.533 4.211 -5.364 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.673 4.810 -4.997 1.00 1.20 C ATOM 1591 NH1 ARG A 103 21.662 6.059 -4.531 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.824 4.146 -5.105 1.00 -0.97 N ATOM 0 H ARG A 103 16.840 4.540 -3.124 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.859 4.705 -5.622 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.837 2.991 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.095 2.189 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.769 3.249 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.604 4.558 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.292 5.809 -5.961 1.00 0.33 H new ATOM 0 HD3 ARG A 103 18.841 5.065 -4.439 1.00 0.33 H new ATOM 0 HE ARG A 103 20.586 3.223 -5.611 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.780 6.566 -4.452 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.535 6.508 -4.254 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.830 3.191 -5.464 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.698 4.593 -4.828 1.00 -0.97 H new ATOM 1606 N TRP A 104 13.862 3.190 -5.956 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.736 2.304 -6.203 1.00 0.36 C ATOM 1608 C TRP A 104 13.109 1.375 -7.357 1.00 0.57 C ATOM 1609 O TRP A 104 13.621 1.834 -8.373 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.479 3.140 -6.472 1.00 0.18 C ATOM 1611 CG TRP A 104 11.004 3.917 -5.277 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.115 5.254 -5.106 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.479 3.409 -4.010 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.704 5.594 -3.834 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.311 4.501 -3.109 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.195 2.128 -3.496 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.902 4.344 -1.777 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.745 1.964 -2.174 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.598 3.060 -1.309 1.00 -0.15 C ATOM 0 H TRP A 104 13.837 4.057 -6.493 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.510 1.682 -5.337 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.682 3.834 -7.288 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.679 2.480 -6.807 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.471 5.949 -5.852 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.694 6.549 -3.475 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.325 1.260 -4.126 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.823 5.200 -1.123 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.507 0.973 -1.816 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.255 2.914 -0.295 1.00 -0.15 H new ATOM 1630 N THR A 105 12.849 0.072 -7.218 1.00 -0.73 N ATOM 1631 CA THR A 105 13.139 -0.938 -8.236 1.00 0.36 C ATOM 1632 C THR A 105 11.826 -1.656 -8.559 1.00 0.57 C ATOM 1633 O THR A 105 11.015 -1.904 -7.660 1.00 -0.57 O ATOM 1634 CB THR A 105 14.286 -1.859 -7.752 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.908 -2.550 -8.808 1.00 -0.68 O ATOM 1636 CG2 THR A 105 13.893 -2.921 -6.719 1.00 0.00 C ATOM 0 H THR A 105 12.422 -0.317 -6.377 1.00 -0.73 H new ATOM 0 HA THR A 105 13.506 -0.503 -9.165 1.00 0.36 H new ATOM 0 HB THR A 105 14.960 -1.144 -7.280 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.788 -2.869 -8.517 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.770 -3.509 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.496 -2.433 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.132 -3.577 -7.143 1.00 0.00 H new ATOM 1644 N ASP A 106 11.615 -2.024 -9.828 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.446 -2.763 -10.317 1.00 0.36 C ATOM 1646 C ASP A 106 10.596 -4.279 -10.086 1.00 0.57 C ATOM 1647 O ASP A 106 10.098 -5.091 -10.863 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.141 -2.394 -11.787 1.00 0.06 C ATOM 1649 CG ASP A 106 11.240 -2.713 -12.803 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.384 -2.433 -12.485 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 10.839 -3.173 -13.985 1.00 -0.65 O ATOM 0 H ASP A 106 12.280 -1.807 -10.571 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.576 -2.462 -9.733 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.232 -2.914 -12.090 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.928 -1.326 -11.836 1.00 0.06 H new ATOM 1657 N GLY A 107 11.275 -4.652 -8.993 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.532 -6.037 -8.623 1.00 0.36 C ATOM 1659 C GLY A 107 12.615 -6.640 -9.515 1.00 0.57 C ATOM 1660 O GLY A 107 12.312 -7.480 -10.355 1.00 -0.57 O ATOM 0 H GLY A 107 11.666 -3.980 -8.332 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.843 -6.089 -7.579 1.00 0.36 H new ATOM 0 HA3 GLY A 107 10.615 -6.619 -8.712 1.00 0.36 H new ATOM 1664 N SER A 108 13.869 -6.186 -9.360 1.00 -0.73 N ATOM 1665 CA SER A 108 14.981 -6.614 -10.213 1.00 0.36 C ATOM 1666 C SER A 108 16.013 -7.414 -9.403 1.00 0.57 C ATOM 1667 O SER A 108 16.273 -8.570 -9.726 1.00 -0.57 O ATOM 1668 CB SER A 108 15.595 -5.377 -10.897 1.00 0.28 C ATOM 1669 OG SER A 108 16.023 -5.644 -12.218 1.00 -0.68 O ATOM 0 H SER A 108 14.136 -5.514 -8.641 1.00 -0.73 H new ATOM 0 HA SER A 108 14.617 -7.285 -10.991 1.00 0.36 H new ATOM 0 HB2 SER A 108 14.860 -4.572 -10.913 1.00 0.28 H new ATOM 0 HB3 SER A 108 16.442 -5.024 -10.309 1.00 0.28 H new ATOM 0 HG SER A 108 16.403 -4.830 -12.610 1.00 -0.68 H new ATOM 1675 N SER A 109 16.567 -6.822 -8.331 1.00 -0.73 N ATOM 1676 CA SER A 109 17.508 -7.459 -7.401 1.00 0.36 C ATOM 1677 C SER A 109 17.885 -6.446 -6.317 1.00 0.57 C ATOM 1678 O SER A 109 17.635 -6.681 -5.137 1.00 -0.57 O ATOM 1679 CB SER A 109 18.782 -7.943 -8.132 1.00 0.28 C ATOM 1680 OG SER A 109 18.935 -9.341 -7.999 1.00 -0.68 O ATOM 0 H SER A 109 16.363 -5.854 -8.082 1.00 -0.73 H new ATOM 0 HA SER A 109 17.029 -8.332 -6.957 1.00 0.36 H new ATOM 0 HB2 SER A 109 18.724 -7.678 -9.188 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.656 -7.436 -7.723 1.00 0.28 H new ATOM 0 HG SER A 109 19.745 -9.628 -8.470 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.424 -5.293 -6.738 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.934 -4.240 -5.863 1.00 0.36 C ATOM 1688 C LEU A 110 17.962 -3.059 -5.883 1.00 0.57 C ATOM 1689 O LEU A 110 17.206 -2.885 -6.845 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.316 -3.757 -6.349 1.00 0.00 C ATOM 1691 CG LEU A 110 21.397 -4.859 -6.480 1.00 0.00 C ATOM 1692 CD1 LEU A 110 21.981 -4.851 -7.900 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.521 -4.666 -5.455 1.00 0.00 C ATOM 0 H LEU A 110 18.518 -5.065 -7.728 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.031 -4.637 -4.853 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.193 -3.275 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.679 -2.996 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 110 20.923 -5.821 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 110 22.740 -5.628 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.186 -5.040 -8.621 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.432 -3.879 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.262 -5.456 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.995 -3.697 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.106 -4.707 -4.448 1.00 0.00 H new ATOM 1705 N GLY A 111 18.038 -2.219 -4.846 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.092 -1.139 -4.613 1.00 0.36 C ATOM 1707 C GLY A 111 15.931 -1.627 -3.748 1.00 0.57 C ATOM 1708 O GLY A 111 15.956 -2.736 -3.212 1.00 -0.57 O ATOM 0 H GLY A 111 18.771 -2.276 -4.139 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.595 -0.306 -4.122 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.713 -0.767 -5.565 1.00 0.36 H new ATOM 1712 N ILE A 112 14.920 -0.775 -3.596 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.749 -1.015 -2.775 1.00 0.36 C ATOM 1714 C ILE A 112 12.601 -1.380 -3.709 1.00 0.57 C ATOM 1715 O ILE A 112 12.241 -0.596 -4.587 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.414 0.249 -1.954 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.598 0.758 -1.096 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.158 -0.059 -1.129 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.175 -0.235 -0.077 1.00 0.00 C ATOM 0 H ILE A 112 14.899 0.133 -4.061 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.926 -1.827 -2.070 1.00 0.36 H new ATOM 0 HB ILE A 112 13.218 1.082 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.400 1.065 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.273 1.649 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.890 0.814 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.335 -0.308 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.355 -0.902 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.997 0.234 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.397 -0.526 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.541 -1.120 -0.598 1.00 0.00 H new ATOM 1731 N ASN A 113 12.032 -2.576 -3.536 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.933 -3.049 -4.366 1.00 0.36 C ATOM 1733 C ASN A 113 9.715 -2.131 -4.207 1.00 0.57 C ATOM 1734 O ASN A 113 9.052 -2.139 -3.164 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.630 -4.517 -4.033 1.00 0.06 C ATOM 1736 CG ASN A 113 9.573 -5.127 -4.949 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.697 -4.447 -5.452 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.609 -6.425 -5.182 1.00 -0.80 N ATOM 0 H ASN A 113 12.323 -3.238 -2.817 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.213 -3.010 -5.419 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.549 -5.099 -4.109 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.292 -4.588 -2.999 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.905 -6.855 -5.781 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.341 -6.998 -4.763 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.422 -1.361 -5.264 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.276 -0.461 -5.312 1.00 0.36 C ATOM 1747 C PHE A 114 6.975 -1.238 -5.160 1.00 0.57 C ATOM 1748 O PHE A 114 6.062 -0.750 -4.507 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.272 0.317 -6.636 1.00 0.14 C ATOM 1750 CG PHE A 114 7.177 1.370 -6.749 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 5.893 1.018 -7.214 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.433 2.703 -6.373 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.875 1.987 -7.294 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.417 3.673 -6.456 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.137 3.314 -6.910 1.00 -0.15 C ATOM 0 H PHE A 114 9.984 -1.350 -6.115 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.356 0.244 -4.484 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.240 0.803 -6.760 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.164 -0.391 -7.458 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.690 -0.000 -7.510 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.414 2.982 -6.019 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.893 1.711 -7.650 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.621 4.694 -6.170 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.355 4.057 -6.964 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.880 -2.440 -5.735 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.682 -3.261 -5.665 1.00 0.36 C ATOM 1767 C LEU A 115 5.430 -3.706 -4.228 1.00 0.57 C ATOM 1768 O LEU A 115 4.305 -3.588 -3.761 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.821 -4.488 -6.586 1.00 0.00 C ATOM 1770 CG LEU A 115 4.467 -5.103 -6.980 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.761 -4.245 -8.031 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.681 -6.503 -7.567 1.00 0.00 C ATOM 0 H LEU A 115 7.640 -2.868 -6.264 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.832 -2.667 -6.001 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.358 -4.198 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.425 -5.244 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 115 3.851 -5.155 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.806 -4.702 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.588 -3.247 -7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.385 -4.174 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.718 -6.933 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.315 -6.434 -8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.162 -7.139 -6.824 1.00 0.00 H new ATOM 1784 N TYR A 116 6.455 -4.186 -3.511 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.307 -4.594 -2.110 1.00 0.36 C ATOM 1786 C TYR A 116 5.829 -3.396 -1.285 1.00 0.57 C ATOM 1787 O TYR A 116 4.855 -3.501 -0.534 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.635 -5.162 -1.578 1.00 0.14 C ATOM 1789 CG TYR A 116 7.571 -5.901 -0.242 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.187 -5.244 0.945 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.944 -7.256 -0.176 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.214 -5.915 2.181 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.957 -7.942 1.051 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.616 -7.267 2.244 1.00 0.08 C ATOM 1795 OH TYR A 116 7.706 -7.906 3.445 1.00 -0.53 O ATOM 0 H TYR A 116 7.398 -4.301 -3.881 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.562 -5.385 -2.029 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.039 -5.844 -2.326 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.344 -4.340 -1.480 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.868 -4.213 0.905 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.224 -7.776 -1.080 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.927 -5.395 3.083 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.228 -8.987 1.082 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.784 -8.872 3.297 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.497 -2.248 -1.452 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.164 -1.023 -0.739 1.00 0.36 C ATOM 1807 C ALA A 117 4.741 -0.565 -1.056 1.00 0.57 C ATOM 1808 O ALA A 117 3.976 -0.249 -0.146 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.172 0.048 -1.136 1.00 0.00 C ATOM 0 H ALA A 117 7.287 -2.149 -2.090 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.210 -1.204 0.335 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.942 0.976 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.176 -0.280 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.120 0.215 -2.212 1.00 0.00 H new ATOM 1815 N ALA A 118 4.384 -0.567 -2.344 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.065 -0.203 -2.817 1.00 0.36 C ATOM 1817 C ALA A 118 2.032 -1.154 -2.226 1.00 0.57 C ATOM 1818 O ALA A 118 1.129 -0.674 -1.561 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.026 -0.195 -4.350 1.00 0.00 C ATOM 0 H ALA A 118 5.024 -0.829 -3.094 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.824 0.807 -2.486 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.027 0.081 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.749 0.528 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.274 -1.188 -4.725 1.00 0.00 H new ATOM 1825 N THR A 119 2.172 -2.475 -2.381 1.00 -0.73 N ATOM 1826 CA THR A 119 1.215 -3.451 -1.852 1.00 0.36 C ATOM 1827 C THR A 119 1.045 -3.300 -0.335 1.00 0.57 C ATOM 1828 O THR A 119 -0.084 -3.408 0.146 1.00 -0.57 O ATOM 1829 CB THR A 119 1.649 -4.879 -2.234 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.829 -4.960 -3.626 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.604 -5.947 -1.911 1.00 0.00 C ATOM 0 H THR A 119 2.955 -2.898 -2.879 1.00 -0.73 H new ATOM 0 HA THR A 119 0.241 -3.259 -2.301 1.00 0.36 H new ATOM 0 HB THR A 119 2.556 -5.064 -1.659 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.691 -4.562 -3.868 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.980 -6.926 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.401 -5.946 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.316 -5.732 -2.454 1.00 0.00 H new ATOM 1839 N HIS A 120 2.129 -3.006 0.404 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.055 -2.690 1.827 1.00 0.36 C ATOM 1841 C HIS A 120 1.202 -1.432 2.040 1.00 0.57 C ATOM 1842 O HIS A 120 0.206 -1.481 2.761 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.484 -2.554 2.401 1.00 0.17 C ATOM 1844 CG HIS A 120 3.570 -2.251 3.883 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.256 -2.975 4.845 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.997 -1.190 4.525 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.084 -2.367 6.034 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.309 -1.283 5.860 1.00 -0.70 N ATOM 0 H HIS A 120 3.076 -2.983 0.025 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.565 -3.498 2.370 1.00 0.36 H new ATOM 0 HB2 HIS A 120 4.024 -3.481 2.206 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.001 -1.764 1.857 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.798 -3.823 4.681 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.403 -0.414 4.064 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.501 -2.697 6.974 1.00 0.65 H new ATOM 1857 N GLU A 121 1.576 -0.298 1.440 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.907 0.986 1.673 1.00 0.36 C ATOM 1859 C GLU A 121 -0.556 0.945 1.209 1.00 0.57 C ATOM 1860 O GLU A 121 -1.454 1.411 1.915 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.677 2.089 0.936 1.00 0.00 C ATOM 1862 CG GLU A 121 3.077 2.355 1.522 1.00 0.06 C ATOM 1863 CD GLU A 121 3.131 3.625 2.368 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.412 3.494 3.548 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 2.887 4.783 1.762 1.00 -0.65 O ATOM 0 H GLU A 121 2.351 -0.244 0.779 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.901 1.194 2.743 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.777 1.813 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.096 3.011 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.378 1.504 2.132 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.798 2.435 0.708 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.807 0.324 0.053 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.137 0.111 -0.495 1.00 0.36 C ATOM 1875 C LEU A 122 -2.989 -0.770 0.418 1.00 0.57 C ATOM 1876 O LEU A 122 -4.205 -0.607 0.411 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.090 -0.489 -1.917 1.00 0.00 C ATOM 1878 CG LEU A 122 -2.048 0.517 -3.090 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -3.186 1.544 -3.012 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -0.725 1.270 -3.252 1.00 0.00 C ATOM 0 H LEU A 122 -0.066 -0.052 -0.539 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.603 1.094 -0.559 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.212 -1.131 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.964 -1.128 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.167 -0.119 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.116 2.230 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -4.145 1.027 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -3.106 2.105 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.795 1.951 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.517 1.839 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.081 0.557 -3.425 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.396 -1.644 1.238 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.136 -2.378 2.256 1.00 0.36 C ATOM 1894 C GLY A 123 -3.772 -1.446 3.287 1.00 0.57 C ATOM 1895 O GLY A 123 -4.935 -1.631 3.665 1.00 -0.57 O ATOM 0 H GLY A 123 -1.399 -1.857 1.212 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.913 -2.975 1.779 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.465 -3.073 2.761 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.047 -0.403 3.706 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.628 0.616 4.572 1.00 0.36 C ATOM 1901 C HIS A 124 -4.647 1.440 3.798 1.00 0.57 C ATOM 1902 O HIS A 124 -5.715 1.701 4.340 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.554 1.519 5.184 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.540 0.737 5.973 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.801 -0.162 6.982 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.190 0.732 5.765 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.633 -0.699 7.364 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.384 -0.179 6.658 1.00 -0.70 N ATOM 0 H HIS A 124 -2.069 -0.247 3.461 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.132 0.110 5.395 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.049 2.070 4.391 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.027 2.256 5.833 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.342 1.328 5.038 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.525 -1.448 8.135 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.375 -0.403 6.754 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.360 1.770 2.533 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.304 2.476 1.673 1.00 0.36 C ATOM 1919 C SER A 125 -6.629 1.718 1.537 1.00 0.57 C ATOM 1920 O SER A 125 -7.697 2.322 1.549 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.677 2.712 0.301 1.00 0.28 C ATOM 1922 OG SER A 125 -5.484 3.593 -0.436 1.00 -0.68 O ATOM 0 H SER A 125 -3.470 1.554 2.083 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.529 3.436 2.137 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.675 3.127 0.413 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.572 1.766 -0.231 1.00 0.28 H new ATOM 0 HG SER A 125 -5.324 4.512 -0.136 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.580 0.389 1.428 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.777 -0.437 1.356 1.00 0.36 C ATOM 1930 C LEU A 126 -8.527 -0.414 2.696 1.00 0.57 C ATOM 1931 O LEU A 126 -9.756 -0.349 2.716 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.382 -1.871 0.957 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.322 -2.547 -0.056 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.803 -2.378 0.292 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.046 -2.031 -1.478 1.00 0.00 C ATOM 0 H LEU A 126 -5.709 -0.140 1.388 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.452 -0.038 0.598 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.376 -1.851 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.341 -2.484 1.857 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.108 -3.615 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.413 -2.877 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.000 -2.819 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.052 -1.317 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.721 -2.521 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.207 -0.953 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.014 -2.252 -1.752 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.787 -0.444 3.812 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.340 -0.338 5.157 1.00 0.36 C ATOM 1949 C GLY A 127 -8.173 -1.625 5.946 1.00 0.57 C ATOM 1950 O GLY A 127 -9.159 -2.146 6.462 1.00 -0.57 O ATOM 0 H GLY A 127 -6.772 -0.544 3.799 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -7.849 0.478 5.687 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.399 -0.086 5.095 1.00 0.36 H new ATOM 1954 N MET A 128 -6.956 -2.175 6.002 1.00 -0.73 N ATOM 1955 CA MET A 128 -6.739 -3.467 6.647 1.00 0.36 C ATOM 1956 C MET A 128 -6.182 -3.288 8.060 1.00 0.57 C ATOM 1957 O MET A 128 -6.773 -3.770 9.027 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.827 -4.329 5.755 1.00 0.00 C ATOM 1959 CG MET A 128 -6.444 -5.702 5.499 1.00 0.23 C ATOM 1960 SD MET A 128 -8.072 -5.778 4.684 1.00 -0.46 S ATOM 1961 CE MET A 128 -8.041 -4.400 3.510 1.00 0.23 C ATOM 0 H MET A 128 -6.116 -1.748 5.612 1.00 -0.73 H new ATOM 0 HA MET A 128 -7.690 -3.987 6.761 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.657 -3.821 4.806 1.00 0.00 H new ATOM 0 HB3 MET A 128 -4.854 -4.448 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.742 -6.275 4.893 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.528 -6.213 6.458 1.00 0.23 H new ATOM 0 HE1 MET A 128 -8.664 -4.642 2.649 1.00 0.23 H new ATOM 0 HE2 MET A 128 -8.424 -3.501 3.994 1.00 0.23 H new ATOM 0 HE3 MET A 128 -7.017 -4.226 3.180 1.00 0.23 H new ATOM 1971 N GLY A 129 -5.059 -2.578 8.174 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.332 -2.382 9.422 1.00 0.36 C ATOM 1973 C GLY A 129 -3.038 -3.193 9.414 1.00 0.57 C ATOM 1974 O GLY A 129 -2.840 -4.044 8.550 1.00 -0.57 O ATOM 0 H GLY A 129 -4.621 -2.113 7.379 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.106 -1.324 9.557 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.954 -2.685 10.265 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.157 -2.911 10.376 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.901 -3.633 10.559 1.00 0.36 C ATOM 1980 C HIS A 130 -1.137 -5.031 11.163 1.00 0.57 C ATOM 1981 O HIS A 130 -2.262 -5.421 11.490 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.069 -2.789 11.414 1.00 0.17 C ATOM 1983 CG HIS A 130 0.915 -1.815 10.632 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.202 -0.514 10.984 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.672 -2.103 9.526 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.110 -0.042 10.114 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.420 -0.973 9.200 1.00 -0.70 N ATOM 0 H HIS A 130 -2.300 -2.165 11.057 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.443 -3.792 9.583 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.509 -2.235 12.154 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.728 -3.462 11.963 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.686 -3.045 8.997 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.533 0.951 10.146 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.072 -0.874 8.422 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.039 -5.775 11.326 1.00 -0.73 N ATOM 1997 CA SER A 131 0.009 -7.122 11.867 1.00 0.36 C ATOM 1998 C SER A 131 1.308 -7.280 12.667 1.00 0.57 C ATOM 1999 O SER A 131 2.053 -6.318 12.853 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.071 -8.128 10.711 1.00 0.28 C ATOM 2001 OG SER A 131 -0.494 -9.397 11.175 1.00 -0.68 O ATOM 0 H SER A 131 0.885 -5.429 11.068 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.832 -7.309 12.534 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.765 -7.763 9.953 1.00 0.28 H new ATOM 0 HB3 SER A 131 0.905 -8.218 10.233 1.00 0.28 H new ATOM 0 HG SER A 131 -0.373 -10.062 10.465 1.00 -0.68 H new ATOM 2007 N SER A 132 1.567 -8.508 13.117 1.00 -0.73 N ATOM 2008 CA SER A 132 2.720 -8.894 13.910 1.00 0.36 C ATOM 2009 C SER A 132 3.081 -10.314 13.473 1.00 0.57 C ATOM 2010 O SER A 132 2.626 -11.285 14.076 1.00 -0.57 O ATOM 2011 CB SER A 132 2.363 -8.786 15.401 1.00 0.28 C ATOM 2012 OG SER A 132 3.456 -9.124 16.226 1.00 -0.68 O ATOM 0 H SER A 132 0.945 -9.293 12.926 1.00 -0.73 H new ATOM 0 HA SER A 132 3.584 -8.246 13.759 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.039 -7.770 15.625 1.00 0.28 H new ATOM 0 HB3 SER A 132 1.523 -9.444 15.622 1.00 0.28 H new ATOM 0 HG SER A 132 3.193 -9.043 17.167 1.00 -0.68 H new ATOM 2018 N ASP A 133 3.821 -10.447 12.364 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.305 -11.740 11.880 1.00 0.36 C ATOM 2020 C ASP A 133 5.615 -11.512 11.111 1.00 0.57 C ATOM 2021 O ASP A 133 5.729 -10.487 10.437 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.265 -12.390 10.953 1.00 0.06 C ATOM 2023 CG ASP A 133 3.471 -13.894 10.868 1.00 0.66 C ATOM 2024 OD1 ASP A 133 4.158 -14.279 9.937 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.983 -14.647 11.850 1.00 -0.65 O ATOM 0 H ASP A 133 4.099 -9.659 11.779 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.474 -12.407 12.726 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.262 -12.178 11.322 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.338 -11.953 9.957 1.00 0.06 H new ATOM 2031 N PRO A 134 6.600 -12.429 11.157 1.00 -0.66 N ATOM 2032 CA PRO A 134 7.849 -12.275 10.418 1.00 0.36 C ATOM 2033 C PRO A 134 7.698 -12.532 8.910 1.00 0.57 C ATOM 2034 O PRO A 134 8.639 -12.264 8.164 1.00 -0.57 O ATOM 2035 CB PRO A 134 8.827 -13.261 11.064 1.00 0.00 C ATOM 2036 CG PRO A 134 7.927 -14.359 11.627 1.00 0.00 C ATOM 2037 CD PRO A 134 6.620 -13.647 11.956 1.00 0.30 C ATOM 0 HA PRO A 134 8.203 -11.246 10.477 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.533 -13.658 10.335 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.414 -12.784 11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.773 -15.157 10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.365 -14.816 12.515 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.764 -14.279 11.721 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.562 -13.414 13.019 1.00 0.30 H new ATOM 2045 N ASN A 135 6.541 -13.040 8.458 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.226 -13.260 7.044 1.00 0.36 C ATOM 2047 C ASN A 135 5.031 -12.392 6.610 1.00 0.57 C ATOM 2048 O ASN A 135 4.515 -12.566 5.501 1.00 -0.57 O ATOM 2049 CB ASN A 135 5.993 -14.767 6.798 1.00 0.06 C ATOM 2050 CG ASN A 135 7.166 -15.425 6.072 1.00 0.57 C ATOM 2051 OD1 ASN A 135 7.135 -15.587 4.862 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.215 -15.823 6.781 1.00 -0.80 N ATOM 0 H ASN A 135 5.783 -13.315 9.083 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.068 -12.951 6.425 1.00 0.36 H new ATOM 0 HB2 ASN A 135 5.832 -15.268 7.753 1.00 0.06 H new ATOM 0 HB3 ASN A 135 5.084 -14.901 6.211 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.006 -16.269 6.316 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.231 -15.683 7.791 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.596 -11.457 7.471 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.568 -10.479 7.158 1.00 0.36 C ATOM 2061 C ALA A 136 4.163 -9.395 6.271 1.00 0.57 C ATOM 2062 O ALA A 136 5.213 -8.847 6.606 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.044 -9.843 8.456 1.00 0.00 C ATOM 0 H ALA A 136 4.963 -11.367 8.419 1.00 -0.73 H new ATOM 0 HA ALA A 136 2.745 -10.971 6.640 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.273 -9.110 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.622 -10.618 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.865 -9.350 8.977 1.00 0.00 H new ATOM 2069 N VAL A 137 3.466 -9.003 5.201 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.864 -7.813 4.448 1.00 0.36 C ATOM 2071 C VAL A 137 3.738 -6.565 5.328 1.00 0.57 C ATOM 2072 O VAL A 137 4.492 -5.609 5.134 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.065 -7.662 3.142 1.00 0.00 C ATOM 2074 CG1 VAL A 137 3.204 -8.906 2.258 1.00 0.00 C ATOM 2075 CG2 VAL A 137 1.583 -7.370 3.379 1.00 0.00 C ATOM 0 H VAL A 137 2.640 -9.482 4.843 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.909 -7.932 4.161 1.00 0.36 H new ATOM 0 HB VAL A 137 3.495 -6.801 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 137 2.628 -8.768 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 137 4.254 -9.058 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.829 -9.778 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.073 -7.274 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.138 -8.187 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 137 1.480 -6.441 3.939 1.00 0.00 H new ATOM 2085 N MET A 138 2.818 -6.588 6.308 1.00 -0.73 N ATOM 2086 CA MET A 138 2.614 -5.546 7.308 1.00 0.36 C ATOM 2087 C MET A 138 3.793 -5.383 8.273 1.00 0.57 C ATOM 2088 O MET A 138 3.819 -4.387 8.993 1.00 -0.57 O ATOM 2089 CB MET A 138 1.339 -5.854 8.107 1.00 0.00 C ATOM 2090 CG MET A 138 0.038 -5.673 7.316 1.00 0.23 C ATOM 2091 SD MET A 138 -0.247 -4.000 6.677 1.00 -0.46 S ATOM 2092 CE MET A 138 0.299 -4.196 4.964 1.00 0.23 C ATOM 0 H MET A 138 2.173 -7.370 6.423 1.00 -0.73 H new ATOM 0 HA MET A 138 2.522 -4.604 6.767 1.00 0.36 H new ATOM 0 HB2 MET A 138 1.390 -6.881 8.469 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.310 -5.208 8.985 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.041 -6.370 6.478 1.00 0.23 H new ATOM 0 HG3 MET A 138 -0.800 -5.948 7.957 1.00 0.23 H new ATOM 0 HE1 MET A 138 0.055 -3.296 4.399 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.377 -4.357 4.942 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.205 -5.053 4.517 1.00 0.23 H new ATOM 2102 N TYR A 139 4.753 -6.315 8.298 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.951 -6.229 9.128 1.00 0.36 C ATOM 2104 C TYR A 139 6.646 -4.862 8.939 1.00 0.57 C ATOM 2105 O TYR A 139 6.950 -4.505 7.791 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.873 -7.391 8.743 1.00 0.14 C ATOM 2107 CG TYR A 139 8.243 -7.379 9.388 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 8.380 -7.604 10.771 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.379 -7.131 8.597 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 9.651 -7.545 11.370 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.655 -7.081 9.186 1.00 -0.15 C ATOM 2112 CZ TYR A 139 10.793 -7.278 10.579 1.00 0.08 C ATOM 2113 OH TYR A 139 12.025 -7.215 11.164 1.00 -0.53 O ATOM 0 H TYR A 139 4.715 -7.162 7.731 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.692 -6.305 10.184 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.377 -8.326 9.002 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.000 -7.387 7.660 1.00 0.14 H new ATOM 0 HD1 TYR A 139 7.509 -7.822 11.372 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.271 -6.978 7.533 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 9.755 -7.703 12.433 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.526 -6.893 8.576 1.00 -0.15 H new ATOM 0 HH TYR A 139 12.702 -7.025 10.481 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.891 -4.094 10.026 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.597 -2.820 9.956 1.00 0.36 C ATOM 2125 C PRO A 140 9.085 -3.038 9.646 1.00 0.57 C ATOM 2126 O PRO A 140 9.559 -4.171 9.625 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.374 -2.145 11.318 1.00 0.00 C ATOM 2128 CG PRO A 140 7.151 -3.305 12.286 1.00 0.00 C ATOM 2129 CD PRO A 140 6.582 -4.425 11.415 1.00 0.30 C ATOM 0 HA PRO A 140 7.224 -2.187 9.151 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.236 -1.545 11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.513 -1.477 11.294 1.00 0.00 H new ATOM 0 HG2 PRO A 140 8.083 -3.608 12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.459 -3.030 13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 140 7.021 -5.385 11.688 1.00 0.30 H new ATOM 0 HD3 PRO A 140 5.505 -4.514 11.558 1.00 0.30 H new ATOM 2137 N THR A 141 9.832 -1.944 9.456 1.00 -0.73 N ATOM 2138 CA THR A 141 11.240 -1.939 9.046 1.00 0.36 C ATOM 2139 C THR A 141 11.473 -2.790 7.777 1.00 0.57 C ATOM 2140 O THR A 141 10.557 -2.999 6.976 1.00 -0.57 O ATOM 2141 CB THR A 141 12.171 -2.192 10.273 1.00 0.28 C ATOM 2142 OG1 THR A 141 13.340 -1.388 10.136 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.588 -3.637 10.611 1.00 0.00 C ATOM 0 H THR A 141 9.458 -1.004 9.589 1.00 -0.73 H new ATOM 0 HA THR A 141 11.535 -0.946 8.707 1.00 0.36 H new ATOM 0 HB THR A 141 11.540 -1.922 11.120 1.00 0.28 H new ATOM 0 HG1 THR A 141 13.932 -1.538 10.903 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.233 -3.633 11.490 1.00 0.00 H new ATOM 0 HG22 THR A 141 11.699 -4.234 10.816 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.127 -4.067 9.767 1.00 0.00 H new ATOM 2151 N TYR A 142 12.716 -3.225 7.552 1.00 -0.73 N ATOM 2152 CA TYR A 142 13.094 -4.134 6.483 1.00 0.36 C ATOM 2153 C TYR A 142 13.972 -5.218 7.108 1.00 0.57 C ATOM 2154 O TYR A 142 14.894 -4.915 7.868 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.841 -3.357 5.388 1.00 0.14 C ATOM 2156 CG TYR A 142 13.322 -3.541 3.977 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 12.891 -4.793 3.478 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.262 -2.410 3.151 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 12.376 -4.897 2.171 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.748 -2.508 1.858 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.307 -3.750 1.350 1.00 0.08 C ATOM 2162 OH TYR A 142 11.782 -3.820 0.094 1.00 -0.53 O ATOM 0 H TYR A 142 13.507 -2.941 8.131 1.00 -0.73 H new ATOM 0 HA TYR A 142 12.224 -4.593 6.014 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.804 -2.295 5.633 1.00 0.14 H new ATOM 0 HB3 TYR A 142 14.890 -3.653 5.410 1.00 0.14 H new ATOM 0 HD1 TYR A 142 12.957 -5.672 4.102 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.616 -1.458 3.518 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 12.035 -5.851 1.798 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 12.687 -1.625 1.239 1.00 -0.15 H new ATOM 0 HH TYR A 142 11.593 -2.916 -0.232 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.662 -6.481 6.814 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.323 -7.641 7.390 1.00 0.36 C ATOM 2174 C GLY A 143 14.132 -8.833 6.466 1.00 0.57 C ATOM 2175 O GLY A 143 14.543 -8.752 5.312 1.00 -0.57 O ATOM 0 H GLY A 143 12.926 -6.726 6.152 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 15.385 -7.439 7.528 1.00 0.36 H new ATOM 0 HA3 GLY A 143 13.910 -7.859 8.375 1.00 0.36 H new ATOM 2179 N ASN A 144 13.515 -9.913 6.969 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.271 -11.149 6.220 1.00 0.36 C ATOM 2181 C ASN A 144 12.548 -10.856 4.900 1.00 0.57 C ATOM 2182 O ASN A 144 13.149 -11.027 3.840 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.494 -12.166 7.095 1.00 0.06 C ATOM 2184 CG ASN A 144 13.169 -13.532 7.110 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.727 -14.473 6.465 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 14.250 -13.676 7.862 1.00 -0.80 N ATOM 0 H ASN A 144 13.166 -9.949 7.927 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.230 -11.599 5.965 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.419 -11.786 8.114 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.477 -12.268 6.717 1.00 0.06 H new ATOM 0 HD21 ASN A 144 14.723 -14.579 7.908 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 14.609 -12.884 8.395 1.00 -0.80 H new ATOM 2193 N GLY A 145 11.304 -10.354 5.003 1.00 -0.73 N ATOM 2194 CA GLY A 145 10.403 -10.041 3.895 1.00 0.36 C ATOM 2195 C GLY A 145 10.542 -11.004 2.715 1.00 0.57 C ATOM 2196 O GLY A 145 10.697 -12.207 2.915 1.00 -0.57 O ATOM 0 H GLY A 145 10.885 -10.148 5.910 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.374 -10.063 4.254 1.00 0.36 H new ATOM 0 HA3 GLY A 145 10.599 -9.025 3.552 1.00 0.36 H new ATOM 2200 N ASP A 146 10.467 -10.437 1.504 1.00 -0.73 N ATOM 2201 CA ASP A 146 10.787 -11.034 0.203 1.00 0.36 C ATOM 2202 C ASP A 146 10.492 -9.953 -0.859 1.00 0.57 C ATOM 2203 O ASP A 146 9.431 -9.965 -1.490 1.00 -0.57 O ATOM 2204 CB ASP A 146 10.026 -12.357 -0.033 1.00 0.06 C ATOM 2205 CG ASP A 146 10.265 -13.036 -1.389 1.00 0.66 C ATOM 2206 OD1 ASP A 146 10.656 -12.366 -2.331 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 10.005 -14.338 -1.470 1.00 -0.65 O ATOM 0 H ASP A 146 10.156 -9.471 1.402 1.00 -0.73 H new ATOM 0 HA ASP A 146 11.836 -11.325 0.149 1.00 0.36 H new ATOM 0 HB2 ASP A 146 10.301 -13.057 0.756 1.00 0.06 H new ATOM 0 HB3 ASP A 146 8.958 -12.163 0.071 1.00 0.06 H new ATOM 2213 N PRO A 147 11.375 -8.946 -1.028 1.00 -0.66 N ATOM 2214 CA PRO A 147 11.220 -7.897 -2.034 1.00 0.36 C ATOM 2215 C PRO A 147 11.442 -8.390 -3.477 1.00 0.57 C ATOM 2216 O PRO A 147 11.904 -7.627 -4.325 1.00 -0.57 O ATOM 2217 CB PRO A 147 12.148 -6.762 -1.591 1.00 0.00 C ATOM 2218 CG PRO A 147 13.235 -7.436 -0.764 1.00 0.00 C ATOM 2219 CD PRO A 147 12.582 -8.717 -0.239 1.00 0.30 C ATOM 0 HA PRO A 147 10.191 -7.541 -2.083 1.00 0.36 H new ATOM 0 HB2 PRO A 147 12.572 -6.242 -2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 147 11.609 -6.019 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 147 14.113 -7.658 -1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.565 -6.796 0.054 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.266 -9.561 -0.329 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.336 -8.617 0.818 1.00 0.30 H new ATOM 2227 N GLN A 148 11.036 -9.619 -3.804 1.00 -0.73 N ATOM 2228 CA GLN A 148 11.055 -10.164 -5.157 1.00 0.36 C ATOM 2229 C GLN A 148 9.705 -10.818 -5.475 1.00 0.57 C ATOM 2230 O GLN A 148 9.119 -10.555 -6.533 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.204 -11.185 -5.277 1.00 0.00 C ATOM 2232 CG GLN A 148 13.518 -10.582 -5.804 1.00 0.06 C ATOM 2233 CD GLN A 148 14.304 -9.741 -4.794 1.00 0.57 C ATOM 2234 OE1 GLN A 148 14.393 -10.064 -3.616 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.921 -8.660 -5.263 1.00 -0.80 N ATOM 0 H GLN A 148 10.676 -10.278 -3.114 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.221 -9.363 -5.877 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.386 -11.630 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.893 -11.991 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 148 14.157 -11.394 -6.152 1.00 0.06 H new ATOM 0 HG3 GLN A 148 13.292 -9.961 -6.671 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.833 -8.410 -6.248 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.482 -8.081 -4.638 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.197 -11.653 -4.565 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.018 -12.481 -4.785 1.00 0.36 C ATOM 2246 C ASN A 149 7.417 -12.955 -3.461 1.00 0.57 C ATOM 2247 O ASN A 149 7.037 -14.120 -3.351 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.343 -13.656 -5.728 1.00 0.06 C ATOM 2249 CG ASN A 149 9.643 -14.387 -5.419 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.432 -14.571 -6.335 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 9.893 -14.841 -4.200 1.00 -0.80 N ATOM 0 H ASN A 149 9.605 -11.772 -3.638 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.259 -11.871 -5.275 1.00 0.36 H new ATOM 0 HB2 ASN A 149 7.522 -14.372 -5.688 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.389 -13.280 -6.750 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.755 -15.353 -4.013 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 9.223 -14.678 -3.448 1.00 -0.80 H new ATOM 2258 N PHE A 150 7.320 -12.054 -2.475 1.00 -0.73 N ATOM 2259 CA PHE A 150 6.604 -12.282 -1.221 1.00 0.36 C ATOM 2260 C PHE A 150 5.294 -13.033 -1.440 1.00 0.57 C ATOM 2261 O PHE A 150 5.097 -14.105 -0.867 1.00 -0.57 O ATOM 2262 CB PHE A 150 6.373 -10.932 -0.503 1.00 0.14 C ATOM 2263 CG PHE A 150 5.555 -9.887 -1.260 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.127 -9.114 -2.293 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.196 -9.703 -0.945 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.344 -8.186 -3.006 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.406 -8.796 -1.668 1.00 -0.15 C ATOM 2268 CZ PHE A 150 3.980 -8.039 -2.703 1.00 -0.15 C ATOM 0 H PHE A 150 7.747 -11.129 -2.531 1.00 -0.73 H new ATOM 0 HA PHE A 150 7.218 -12.918 -0.584 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.876 -11.132 0.446 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.346 -10.499 -0.269 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.172 -9.235 -2.538 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.755 -10.267 -0.136 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 5.792 -7.587 -3.786 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.359 -8.680 -1.429 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.373 -7.345 -3.265 1.00 -0.15 H new ATOM 2278 N LYS A 151 4.448 -12.486 -2.327 1.00 -0.73 N ATOM 2279 CA LYS A 151 3.028 -12.805 -2.435 1.00 0.36 C ATOM 2280 C LYS A 151 2.310 -12.593 -1.092 1.00 0.57 C ATOM 2281 O LYS A 151 2.911 -12.540 -0.022 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.832 -14.211 -3.046 1.00 0.00 C ATOM 2283 CG LYS A 151 2.565 -14.196 -4.560 1.00 0.00 C ATOM 2284 CD LYS A 151 3.659 -13.509 -5.401 1.00 0.00 C ATOM 2285 CE LYS A 151 3.364 -13.623 -6.905 1.00 0.50 C ATOM 2286 NZ LYS A 151 3.567 -14.996 -7.424 1.00 -0.85 N ATOM 0 H LYS A 151 4.749 -11.788 -3.007 1.00 -0.73 H new ATOM 0 HA LYS A 151 2.552 -12.111 -3.128 1.00 0.36 H new ATOM 0 HB2 LYS A 151 3.721 -14.810 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 151 1.999 -14.703 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.452 -15.224 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 151 1.616 -13.692 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.729 -12.458 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.626 -13.962 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 151 2.335 -13.316 -7.094 1.00 0.50 H new ATOM 0 HE3 LYS A 151 4.008 -12.933 -7.451 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 3.454 -14.997 -8.458 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 4.524 -15.321 -7.180 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 2.865 -15.635 -6.999 1.00 -0.85 H new ATOM 2300 N LEU A 152 1.000 -12.366 -1.160 1.00 -0.73 N ATOM 2301 CA LEU A 152 0.209 -12.044 0.017 1.00 0.36 C ATOM 2302 C LEU A 152 0.207 -13.275 0.936 1.00 0.57 C ATOM 2303 O LEU A 152 -0.254 -14.336 0.514 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.206 -11.607 -0.398 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.287 -10.260 -1.155 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.113 -10.420 -2.669 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.642 -9.564 -0.944 1.00 0.00 C ATOM 0 H LEU A 152 0.464 -12.401 -2.027 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.638 -11.204 0.564 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.639 -12.385 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.825 -11.540 0.497 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.472 -9.665 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.179 -9.443 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.139 -10.862 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -1.897 -11.069 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -2.657 -8.622 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.442 -10.208 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -2.789 -9.368 0.118 1.00 0.00 H new ATOM 2319 N SER A 153 0.770 -13.160 2.150 1.00 -0.73 N ATOM 2320 CA SER A 153 1.081 -14.307 3.007 1.00 0.36 C ATOM 2321 C SER A 153 -0.146 -14.792 3.798 1.00 0.57 C ATOM 2322 O SER A 153 -0.901 -15.645 3.333 1.00 -0.57 O ATOM 2323 CB SER A 153 2.222 -13.941 3.976 1.00 0.28 C ATOM 2324 OG SER A 153 3.436 -13.634 3.340 1.00 -0.68 O ATOM 0 H SER A 153 1.022 -12.262 2.563 1.00 -0.73 H new ATOM 0 HA SER A 153 1.394 -15.126 2.359 1.00 0.36 H new ATOM 0 HB2 SER A 153 1.913 -13.087 4.578 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.383 -14.773 4.662 1.00 0.28 H new ATOM 0 HG SER A 153 4.073 -13.289 4.000 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.328 -14.261 5.015 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.391 -14.622 5.939 1.00 0.36 C ATOM 2332 C GLN A 154 -1.972 -13.332 6.492 1.00 0.57 C ATOM 2333 O GLN A 154 -3.164 -13.160 6.344 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.895 -15.536 7.081 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.654 -16.994 6.643 1.00 0.06 C ATOM 2336 CD GLN A 154 0.623 -17.640 7.204 1.00 0.57 C ATOM 2337 OE1 GLN A 154 0.981 -17.506 8.375 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 1.327 -18.389 6.365 1.00 -0.80 N ATOM 0 H GLN A 154 0.290 -13.541 5.389 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.151 -15.196 5.408 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.032 -15.129 7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.627 -15.524 7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -1.511 -17.595 6.948 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -0.612 -17.028 5.554 1.00 0.06 H new ATOM 0 HE21 GLN A 154 1.023 -18.494 5.397 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 2.172 -18.860 6.688 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.174 -12.402 7.029 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.625 -11.084 7.499 1.00 0.36 C ATOM 2349 C ASP A 155 -2.568 -10.372 6.529 1.00 0.57 C ATOM 2350 O ASP A 155 -3.596 -9.842 6.967 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.411 -10.183 7.770 1.00 0.06 C ATOM 2352 CG ASP A 155 0.400 -9.805 6.516 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.882 -8.685 6.473 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.587 -10.732 5.581 1.00 -0.65 O ATOM 0 H ASP A 155 -0.172 -12.547 7.152 1.00 -0.73 H new ATOM 0 HA ASP A 155 -2.190 -11.267 8.413 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.755 -9.269 8.254 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.249 -10.688 8.475 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.213 -10.410 5.240 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.948 -9.860 4.112 1.00 0.36 C ATOM 2362 C ASP A 156 -4.306 -10.542 3.962 1.00 0.57 C ATOM 2363 O ASP A 156 -5.343 -9.894 4.109 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.138 -10.101 2.829 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.199 -8.971 2.418 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.506 -7.828 2.714 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -0.133 -9.332 1.709 1.00 -0.65 O ATOM 0 H ASP A 156 -1.345 -10.857 4.945 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.103 -8.795 4.283 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.549 -11.009 2.958 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.834 -10.286 2.011 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.304 -11.856 3.679 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.524 -12.625 3.431 1.00 0.36 C ATOM 2375 C ILE A 157 -6.375 -12.613 4.696 1.00 0.57 C ATOM 2376 O ILE A 157 -7.584 -12.453 4.607 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.212 -14.075 2.960 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.952 -14.154 1.440 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.372 -15.054 3.238 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.658 -13.487 0.988 1.00 0.00 C ATOM 0 H ILE A 157 -3.451 -12.411 3.617 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.080 -12.160 2.617 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.324 -14.354 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.930 -15.202 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.788 -13.691 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.099 -16.050 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.572 -15.087 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.266 -14.718 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.554 -13.589 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.682 -12.430 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.811 -13.965 1.481 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.757 -12.762 5.869 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.401 -12.711 7.168 1.00 0.36 C ATOM 2394 C LYS A 158 -7.068 -11.356 7.335 1.00 0.57 C ATOM 2395 O LYS A 158 -8.218 -11.319 7.752 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.358 -12.959 8.270 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.989 -13.153 9.646 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.929 -13.353 10.743 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.143 -12.397 11.925 1.00 0.50 C ATOM 2400 NZ LYS A 158 -4.492 -11.078 11.721 1.00 -0.85 N ATOM 0 H LYS A 158 -4.753 -12.928 5.935 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.163 -13.486 7.245 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.771 -13.842 8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.667 -12.116 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.603 -12.286 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.653 -14.017 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.963 -14.383 11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -3.936 -13.194 10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.212 -12.250 12.079 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.750 -12.855 12.833 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.668 -10.472 12.548 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -3.468 -11.211 11.601 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.884 -10.625 10.871 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.383 -10.267 6.980 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.954 -8.937 6.971 1.00 0.36 C ATOM 2416 C GLY A 159 -8.172 -8.899 6.053 1.00 0.57 C ATOM 2417 O GLY A 159 -9.269 -8.603 6.513 1.00 -0.57 O ATOM 0 H GLY A 159 -5.406 -10.294 6.689 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.241 -8.649 7.982 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.211 -8.215 6.633 1.00 0.36 H new ATOM 2421 N ILE A 160 -8.009 -9.277 4.785 1.00 -0.73 N ATOM 2422 CA ILE A 160 -9.092 -9.265 3.807 1.00 0.36 C ATOM 2423 C ILE A 160 -10.295 -10.084 4.281 1.00 0.57 C ATOM 2424 O ILE A 160 -11.418 -9.578 4.296 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.543 -9.735 2.440 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.790 -8.593 1.729 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.633 -10.322 1.533 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.695 -7.426 1.298 1.00 0.00 C ATOM 0 H ILE A 160 -7.118 -9.601 4.408 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.466 -8.248 3.692 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.840 -10.542 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -7.014 -8.213 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.287 -8.994 0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -9.190 -10.635 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -10.089 -11.182 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -10.395 -9.566 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.094 -6.662 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.455 -7.791 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.178 -6.997 2.176 1.00 0.00 H new ATOM 2440 N GLN A 161 -10.056 -11.326 4.696 1.00 -0.73 N ATOM 2441 CA GLN A 161 -11.077 -12.245 5.175 1.00 0.36 C ATOM 2442 C GLN A 161 -11.660 -11.782 6.511 1.00 0.57 C ATOM 2443 O GLN A 161 -12.759 -12.207 6.839 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.481 -13.656 5.294 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.214 -14.309 3.926 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.418 -15.094 3.392 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.539 -14.585 3.317 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -11.189 -16.350 3.024 1.00 -0.80 N ATOM 0 H GLN A 161 -9.119 -11.729 4.707 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.896 -12.264 4.456 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.548 -13.605 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.163 -14.286 5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.944 -13.536 3.207 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.359 -14.979 4.010 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.250 -16.740 3.099 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.953 -16.924 2.667 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.991 -10.901 7.261 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.524 -10.280 8.470 1.00 0.36 C ATOM 2459 C LYS A 162 -12.307 -8.997 8.157 1.00 0.57 C ATOM 2460 O LYS A 162 -13.146 -8.606 8.964 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.343 -10.060 9.426 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.673 -9.383 10.762 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.693 -9.860 11.842 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.175 -11.193 12.425 1.00 0.50 C ATOM 2465 NZ LYS A 162 -10.763 -11.019 13.770 1.00 -0.85 N ATOM 0 H LYS A 162 -10.044 -10.595 7.037 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.256 -10.929 8.950 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.886 -11.027 9.635 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.593 -9.458 8.912 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.613 -8.300 10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.696 -9.618 11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -8.697 -9.977 11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -9.616 -9.113 12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.915 -11.636 11.758 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -9.339 -11.890 12.480 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -11.078 -11.941 14.133 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -10.049 -10.620 14.412 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -11.576 -10.373 13.712 1.00 -0.85 H new ATOM 2479 N LEU A 163 -12.082 -8.365 6.997 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.782 -7.146 6.578 1.00 0.36 C ATOM 2481 C LEU A 163 -14.040 -7.468 5.757 1.00 0.57 C ATOM 2482 O LEU A 163 -15.092 -6.865 5.991 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.823 -6.255 5.758 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.109 -5.128 6.531 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -12.110 -4.085 7.042 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -10.237 -5.632 7.687 1.00 0.00 C ATOM 0 H LEU A 163 -11.398 -8.692 6.314 1.00 -0.73 H new ATOM 0 HA LEU A 163 -13.103 -6.613 7.473 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -11.064 -6.894 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -12.388 -5.805 4.942 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.437 -4.662 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -11.577 -3.303 7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -12.640 -3.645 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -12.826 -4.564 7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.767 -4.784 8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.857 -6.173 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.466 -6.298 7.298 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.924 -8.420 4.819 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.957 -8.818 3.850 1.00 0.36 C ATOM 2500 C TYR A 164 -15.573 -10.181 4.216 1.00 0.57 C ATOM 2501 O TYR A 164 -16.329 -10.773 3.433 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.340 -8.845 2.439 1.00 0.14 C ATOM 2503 CG TYR A 164 -13.971 -7.478 1.894 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.809 -6.823 2.344 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.789 -6.865 0.923 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.493 -5.537 1.873 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.469 -5.588 0.431 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.334 -4.910 0.929 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.051 -3.647 0.514 1.00 -0.53 O ATOM 0 H TYR A 164 -13.065 -8.960 4.710 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.767 -8.089 3.873 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -13.447 -9.469 2.457 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -15.045 -9.318 1.755 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.158 -7.311 3.054 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -15.665 -7.379 0.556 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.609 -5.030 2.232 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.088 -5.127 -0.324 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.724 -3.358 -0.137 1.00 -0.53 H new