USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=33 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= -1.78 K(o=-1.7,f=-2.2) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.17 K(o=-1.7,f=-3.8) USER MOD Set 1.3: A 130 HIS : no HD1:sc= -0.0524 X(o=-1.7,f=-1.5) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 149 ASN : amide:sc= 1.2 K(o=1.2,f=0.034) USER MOD Set 3.1: A 69 HIS : no HE2:sc= -1.49 K(o=-2.2,f=-3.2) USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.722 K(o=-2.2,f=-1.5) USER MOD Set 3.3: A 97 HIS : no HD1:sc= 0.00741 X(o=-2.2,f=-2) USER MOD Set 4.1: A 80 ASN : amide:sc= -0.544 X(o=-0.48,f=-0.11) USER MOD Set 4.2: A 81 THR OG1 : rot 180:sc= 0.0682 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 180:sc= 0.227 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -85:sc= 1.68 USER MOD Single : A 17 TYR OH : rot -159:sc= 1.28 USER MOD Single : A 21 SER OG : rot 170:sc= 0.437 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 28 HIS : no HD1:sc= -0.548 K(o=-0.55,f=-1.6) USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00509 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= -0.0916 X(o=-0.092,f=-0.46) USER MOD Single : A 41 MET CE :methyl -172:sc= 0 (180deg=-0.0933) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.83 K(o=0.83,f=-2.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 1.19 USER MOD Single : A 109 SER OG : rot -55:sc= 0.331 USER MOD Single : A 113 ASN : amide:sc= -0.114 K(o=-0.11,f=-7.7!) USER MOD Single : A 119 THR OG1 : rot 86:sc= -0.858 USER MOD Single : A 125 SER OG : rot -86:sc= 1.17 USER MOD Single : A 128 MET CE :methyl -175:sc= -2.66 (180deg=-3) USER MOD Single : A 131 SER OG : rot -140:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1) USER MOD Single : A 138 MET CE :methyl 136:sc= -0.126 (180deg=-2.37!) 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= 0.00479 USER MOD Single : A 144 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.92) USER MOD Single : A 148 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.6) 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=-0.63) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -13.793 -0.304 7.514 1.00 -0.66 N ATOM 110 CA PRO A 8 -13.633 -1.557 6.791 1.00 0.36 C ATOM 111 C PRO A 8 -14.277 -1.439 5.406 1.00 0.57 C ATOM 112 O PRO A 8 -15.435 -1.809 5.207 1.00 -0.57 O ATOM 113 CB PRO A 8 -14.257 -2.623 7.688 1.00 0.00 C ATOM 114 CG PRO A 8 -15.372 -1.874 8.415 1.00 0.00 C ATOM 115 CD PRO A 8 -14.842 -0.439 8.517 1.00 0.30 C ATOM 0 HA PRO A 8 -12.595 -1.822 6.592 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -14.648 -3.458 7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.529 -3.035 8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.310 -1.916 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.565 -2.300 9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.641 0.281 8.340 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -14.450 -0.242 9.515 1.00 0.30 H new ATOM 123 N LYS A 9 -13.484 -0.904 4.471 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.813 -0.578 3.082 1.00 0.36 C ATOM 125 C LYS A 9 -14.436 0.818 3.034 1.00 0.57 C ATOM 126 O LYS A 9 -15.037 1.291 4.000 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.602 -1.698 2.339 1.00 0.00 C ATOM 128 CG LYS A 9 -16.086 -1.438 2.028 1.00 0.00 C ATOM 129 CD LYS A 9 -16.827 -2.651 1.439 1.00 0.00 C ATOM 130 CE LYS A 9 -18.332 -2.515 1.739 1.00 0.50 C ATOM 131 NZ LYS A 9 -19.207 -3.183 0.748 1.00 -0.85 N ATOM 0 H LYS A 9 -12.515 -0.669 4.686 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.895 -0.540 2.495 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.092 -1.900 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.538 -2.607 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.589 -1.128 2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.159 -0.606 1.327 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.661 -2.707 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.439 -3.574 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.534 -2.931 2.726 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -18.589 -1.457 1.781 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -20.202 -3.048 1.017 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -19.044 -2.771 -0.193 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -18.990 -4.200 0.723 1.00 -0.85 H new ATOM 145 N TRP A 10 -14.243 1.483 1.898 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.802 2.793 1.612 1.00 0.36 C ATOM 147 C TRP A 10 -16.333 2.702 1.527 1.00 0.57 C ATOM 148 O TRP A 10 -16.905 1.613 1.484 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.172 3.311 0.310 1.00 0.18 C ATOM 150 CG TRP A 10 -12.670 3.374 0.304 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.828 2.347 0.038 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.807 4.524 0.567 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.521 2.778 0.118 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.454 4.131 0.348 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.030 5.864 0.957 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.383 5.025 0.450 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.961 6.768 1.089 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.649 6.353 0.818 1.00 -0.15 C ATOM 0 H TRP A 10 -13.678 1.112 1.134 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.574 3.499 2.411 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.496 2.671 -0.511 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.562 4.309 0.109 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -12.135 1.340 -0.201 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.708 2.170 0.019 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.037 6.199 1.157 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.373 4.700 0.250 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.151 7.785 1.400 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.837 7.061 0.893 1.00 -0.15 H new ATOM 169 N THR A 11 -17.024 3.843 1.471 1.00 -0.73 N ATOM 170 CA THR A 11 -18.473 3.818 1.313 1.00 0.36 C ATOM 171 C THR A 11 -18.880 3.154 -0.024 1.00 0.57 C ATOM 172 O THR A 11 -19.925 2.497 -0.076 1.00 -0.57 O ATOM 173 CB THR A 11 -19.035 5.231 1.545 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.960 5.488 2.940 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.512 5.339 1.155 1.00 0.00 C ATOM 0 H THR A 11 -16.612 4.774 1.531 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.931 3.183 2.071 1.00 0.36 H new ATOM 0 HB THR A 11 -18.461 5.932 0.939 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.309 6.384 3.127 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -20.863 6.355 1.337 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.628 5.099 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.098 4.640 1.752 1.00 0.00 H new ATOM 183 N SER A 12 -18.039 3.248 -1.066 1.00 -0.73 N ATOM 184 CA SER A 12 -18.251 2.612 -2.367 1.00 0.36 C ATOM 185 C SER A 12 -17.486 1.283 -2.495 1.00 0.57 C ATOM 186 O SER A 12 -16.457 1.064 -1.853 1.00 -0.57 O ATOM 187 CB SER A 12 -17.797 3.608 -3.444 1.00 0.28 C ATOM 188 OG SER A 12 -17.970 3.104 -4.754 1.00 -0.68 O ATOM 0 H SER A 12 -17.172 3.783 -1.021 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.306 2.365 -2.484 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.360 4.535 -3.337 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.746 3.853 -3.288 1.00 0.28 H new ATOM 0 HG SER A 12 -17.669 3.773 -5.404 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.971 0.417 -3.398 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.301 -0.808 -3.857 1.00 0.36 C ATOM 196 C LYS A 13 -16.141 -0.524 -4.828 1.00 0.57 C ATOM 197 O LYS A 13 -15.443 -1.463 -5.220 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.347 -1.730 -4.519 1.00 0.00 C ATOM 199 CG LYS A 13 -18.746 -1.219 -5.919 1.00 0.00 C ATOM 200 CD LYS A 13 -20.233 -1.334 -6.268 1.00 0.00 C ATOM 201 CE LYS A 13 -20.365 -0.715 -7.667 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.596 0.070 -7.913 1.00 -0.85 N ATOM 0 H LYS A 13 -18.877 0.557 -3.846 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.860 -1.297 -2.988 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.944 -2.740 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.233 -1.790 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.452 -0.173 -6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.173 -1.771 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.559 -2.374 -6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.850 -0.804 -5.543 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.504 -0.069 -7.840 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.315 -1.516 -8.404 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.583 0.441 -8.884 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.428 -0.541 -7.787 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.643 0.862 -7.241 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.951 0.738 -5.238 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.834 1.155 -6.071 1.00 0.36 C ATOM 218 C VAL A 14 -14.142 2.335 -5.398 1.00 0.57 C ATOM 219 O VAL A 14 -14.782 3.120 -4.694 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.240 1.461 -7.536 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.030 0.314 -8.181 1.00 0.00 C ATOM 222 CG2 VAL A 14 -16.037 2.762 -7.718 1.00 0.00 C ATOM 0 H VAL A 14 -16.582 1.501 -4.993 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.134 0.323 -6.155 1.00 0.36 H new ATOM 0 HB VAL A 14 -14.281 1.583 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.289 0.581 -9.206 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.421 -0.590 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.942 0.135 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -16.278 2.896 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -16.959 2.708 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.440 3.606 -7.372 1.00 0.00 H new ATOM 232 N VAL A 15 -12.843 2.482 -5.655 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.008 3.514 -5.051 1.00 0.36 C ATOM 234 C VAL A 15 -11.277 4.242 -6.168 1.00 0.57 C ATOM 235 O VAL A 15 -10.964 3.647 -7.206 1.00 -0.57 O ATOM 236 CB VAL A 15 -10.998 2.896 -4.057 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.448 3.966 -3.115 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.586 1.758 -3.221 1.00 0.00 C ATOM 0 H VAL A 15 -12.335 1.876 -6.300 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.631 4.211 -4.490 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.200 2.477 -4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.739 3.512 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.944 4.738 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.268 4.412 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.823 1.371 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.429 2.131 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.925 0.959 -3.881 1.00 0.00 H new ATOM 248 N THR A 16 -10.975 5.520 -5.957 1.00 -0.73 N ATOM 249 CA THR A 16 -10.281 6.312 -6.951 1.00 0.36 C ATOM 250 C THR A 16 -8.823 6.485 -6.508 1.00 0.57 C ATOM 251 O THR A 16 -8.567 6.761 -5.337 1.00 -0.57 O ATOM 252 CB THR A 16 -11.051 7.620 -7.197 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.001 8.503 -6.097 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.519 7.371 -7.580 1.00 0.00 C ATOM 0 H THR A 16 -11.204 6.025 -5.101 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.246 5.816 -7.921 1.00 0.36 H new ATOM 0 HB THR A 16 -10.541 8.091 -8.037 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.703 8.266 -5.455 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.019 8.326 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.561 6.778 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.019 6.832 -6.775 1.00 0.00 H new ATOM 262 N TYR A 17 -7.857 6.347 -7.423 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.445 6.623 -7.163 1.00 0.36 C ATOM 264 C TYR A 17 -5.944 7.739 -8.071 1.00 0.57 C ATOM 265 O TYR A 17 -6.568 8.084 -9.080 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.565 5.353 -7.249 1.00 0.14 C ATOM 267 CG TYR A 17 -5.142 4.879 -8.641 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -5.993 4.044 -9.388 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -3.877 5.216 -9.172 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.607 3.580 -10.662 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -3.480 4.749 -10.443 1.00 -0.15 C ATOM 272 CZ TYR A 17 -4.346 3.933 -11.206 1.00 0.08 C ATOM 273 OH TYR A 17 -3.987 3.499 -12.459 1.00 -0.53 O ATOM 0 H TYR A 17 -8.040 6.036 -8.377 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.360 6.967 -6.132 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.662 5.530 -6.665 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.103 4.538 -6.765 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -6.951 3.756 -8.982 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.206 5.838 -8.598 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.277 2.950 -11.228 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -2.510 5.016 -10.835 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.012 3.532 -12.550 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.798 8.315 -7.701 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.048 9.233 -8.544 1.00 0.36 C ATOM 285 C ARG A 18 -2.590 9.177 -8.120 1.00 0.57 C ATOM 286 O ARG A 18 -2.286 8.787 -6.993 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.614 10.657 -8.404 1.00 0.00 C ATOM 288 CG ARG A 18 -4.297 11.509 -9.639 1.00 0.00 C ATOM 289 CD ARG A 18 -4.954 12.898 -9.580 1.00 0.33 C ATOM 290 NE ARG A 18 -3.979 14.000 -9.547 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.093 14.311 -10.505 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.082 13.644 -11.661 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.223 15.301 -10.307 1.00 -0.97 N ATOM 0 H ARG A 18 -4.363 8.151 -6.793 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.132 8.949 -9.593 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -5.693 10.609 -8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.196 11.131 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.217 11.625 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.637 10.987 -10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.604 13.022 -10.446 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.588 12.956 -8.695 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.977 14.586 -8.712 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -3.751 12.891 -11.822 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.405 13.887 -12.384 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.232 15.820 -9.429 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.548 15.540 -11.034 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.702 9.620 -9.003 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.275 9.686 -8.762 1.00 0.36 C ATOM 309 C ILE A 19 0.065 11.163 -9.001 1.00 0.57 C ATOM 310 O ILE A 19 0.167 11.597 -10.150 1.00 -0.57 O ATOM 311 CB ILE A 19 0.482 8.666 -9.646 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.114 7.232 -9.625 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.951 8.626 -9.188 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.328 6.387 -10.829 1.00 0.00 C ATOM 0 H ILE A 19 -1.968 9.951 -9.930 1.00 -0.73 H new ATOM 0 HA ILE A 19 0.033 9.396 -7.758 1.00 0.36 H new ATOM 0 HB ILE A 19 0.387 9.005 -10.677 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.188 6.731 -8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.202 7.296 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.503 7.912 -9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.393 9.616 -9.298 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.998 8.321 -8.142 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.119 5.395 -10.761 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.003 6.869 -11.751 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.414 6.296 -10.831 1.00 0.00 H new ATOM 326 N VAL A 20 0.081 11.971 -7.927 1.00 -0.73 N ATOM 327 CA VAL A 20 0.242 13.432 -8.035 1.00 0.36 C ATOM 328 C VAL A 20 1.679 13.806 -8.396 1.00 0.57 C ATOM 329 O VAL A 20 1.913 14.813 -9.063 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.180 14.185 -6.749 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.706 14.254 -6.623 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.432 13.631 -5.456 1.00 0.00 C ATOM 0 H VAL A 20 -0.016 11.635 -6.969 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.428 13.744 -8.836 1.00 0.36 H new ATOM 0 HB VAL A 20 0.226 15.190 -6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.972 14.788 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.119 14.779 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.114 13.244 -6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.082 14.218 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.130 12.592 -5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.519 13.689 -5.514 1.00 0.00 H new ATOM 342 N SER A 21 2.626 12.983 -7.956 1.00 -0.73 N ATOM 343 CA SER A 21 4.054 13.188 -8.038 1.00 0.36 C ATOM 344 C SER A 21 4.640 11.807 -8.323 1.00 0.57 C ATOM 345 O SER A 21 4.081 10.796 -7.889 1.00 -0.57 O ATOM 346 CB SER A 21 4.513 13.803 -6.709 1.00 0.28 C ATOM 347 OG SER A 21 5.829 13.453 -6.363 1.00 -0.68 O ATOM 0 H SER A 21 2.392 12.099 -7.504 1.00 -0.73 H new ATOM 0 HA SER A 21 4.379 13.874 -8.820 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.437 14.888 -6.773 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.838 13.483 -5.915 1.00 0.28 H new ATOM 0 HG SER A 21 6.122 13.995 -5.601 1.00 -0.68 H new ATOM 353 N TYR A 22 5.739 11.777 -9.076 1.00 -0.73 N ATOM 354 CA TYR A 22 6.275 10.580 -9.694 1.00 0.36 C ATOM 355 C TYR A 22 7.775 10.497 -9.412 1.00 0.57 C ATOM 356 O TYR A 22 8.410 11.498 -9.093 1.00 -0.57 O ATOM 357 CB TYR A 22 6.032 10.611 -11.207 1.00 0.14 C ATOM 358 CG TYR A 22 4.604 10.386 -11.675 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.122 9.075 -11.863 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.780 11.484 -11.992 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.829 8.861 -12.378 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.481 11.277 -12.488 1.00 -0.15 C ATOM 363 CZ TYR A 22 2.001 9.962 -12.687 1.00 0.08 C ATOM 364 OH TYR A 22 0.733 9.761 -13.147 1.00 -0.53 O ATOM 0 H TYR A 22 6.291 12.611 -9.274 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.774 9.706 -9.278 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.365 11.577 -11.585 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.665 9.853 -11.669 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.747 8.231 -11.611 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.148 12.490 -11.853 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.471 7.855 -12.537 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.849 12.123 -12.717 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.303 10.626 -13.308 1.00 -0.53 H new ATOM 374 N THR A 23 8.313 9.282 -9.529 1.00 -0.73 N ATOM 375 CA THR A 23 9.711 8.963 -9.278 1.00 0.36 C ATOM 376 C THR A 23 10.503 9.080 -10.584 1.00 0.57 C ATOM 377 O THR A 23 9.959 9.442 -11.634 1.00 -0.57 O ATOM 378 CB THR A 23 9.800 7.564 -8.619 1.00 0.28 C ATOM 379 OG1 THR A 23 11.110 7.304 -8.155 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.386 6.423 -9.561 1.00 0.00 C ATOM 0 H THR A 23 7.765 8.469 -9.811 1.00 -0.73 H new ATOM 0 HA THR A 23 10.160 9.670 -8.580 1.00 0.36 H new ATOM 0 HB THR A 23 9.097 7.591 -7.786 1.00 0.28 H new ATOM 0 HG1 THR A 23 11.140 6.416 -7.742 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.471 5.470 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.354 6.571 -9.880 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.039 6.417 -10.434 1.00 0.00 H new ATOM 388 N ARG A 24 11.790 8.721 -10.512 1.00 -0.73 N ATOM 389 CA ARG A 24 12.741 8.863 -11.608 1.00 0.36 C ATOM 390 C ARG A 24 13.567 7.609 -11.884 1.00 0.57 C ATOM 391 O ARG A 24 14.036 7.433 -13.013 1.00 -0.57 O ATOM 392 CB ARG A 24 13.700 10.019 -11.284 1.00 0.00 C ATOM 393 CG ARG A 24 13.747 11.016 -12.443 1.00 0.00 C ATOM 394 CD ARG A 24 15.141 11.627 -12.532 1.00 0.33 C ATOM 395 NE ARG A 24 15.162 12.736 -13.494 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.261 13.285 -14.020 1.00 1.20 C ATOM 397 NH1 ARG A 24 17.448 12.696 -13.866 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.176 14.437 -14.685 1.00 -0.97 N ATOM 0 H ARG A 24 12.202 8.316 -9.671 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.152 9.054 -12.505 1.00 0.36 H new ATOM 0 HB2 ARG A 24 13.376 10.525 -10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.699 9.628 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.498 10.515 -13.378 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.004 11.799 -12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.450 11.985 -11.550 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.859 10.864 -12.833 1.00 0.33 H new ATOM 0 HE ARG A 24 14.263 13.119 -13.785 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 17.520 11.822 -13.345 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 18.284 13.119 -14.270 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.273 14.899 -14.792 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.014 14.857 -15.087 1.00 -0.97 H new ATOM 412 N ASP A 25 13.771 6.757 -10.876 1.00 -0.73 N ATOM 413 CA ASP A 25 14.543 5.522 -11.013 1.00 0.36 C ATOM 414 C ASP A 25 13.911 4.612 -12.086 1.00 0.57 C ATOM 415 O ASP A 25 14.610 4.110 -12.978 1.00 -0.57 O ATOM 416 CB ASP A 25 14.627 4.849 -9.630 1.00 0.06 C ATOM 417 CG ASP A 25 15.881 3.982 -9.474 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.162 3.223 -10.387 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.603 4.158 -8.371 1.00 -0.65 O ATOM 0 H ASP A 25 13.402 6.907 -9.937 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.557 5.732 -11.353 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.621 5.616 -8.855 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.742 4.233 -9.475 1.00 0.06 H new ATOM 425 N LEU A 26 12.569 4.553 -12.083 1.00 -0.73 N ATOM 426 CA LEU A 26 11.681 3.779 -12.959 1.00 0.36 C ATOM 427 C LEU A 26 10.554 4.680 -13.508 1.00 0.57 C ATOM 428 O LEU A 26 10.199 5.659 -12.848 1.00 -0.57 O ATOM 429 CB LEU A 26 11.067 2.572 -12.207 1.00 0.00 C ATOM 430 CG LEU A 26 10.652 2.817 -10.731 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.199 2.423 -10.447 1.00 0.00 C ATOM 432 CD2 LEU A 26 11.552 2.005 -9.802 1.00 0.00 C ATOM 0 H LEU A 26 12.032 5.095 -11.406 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.277 3.400 -13.789 1.00 0.36 H new ATOM 0 HB2 LEU A 26 10.188 2.237 -12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.787 1.754 -12.228 1.00 0.00 H new ATOM 0 HG LEU A 26 10.756 3.887 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.967 2.617 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.533 3.009 -11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.062 1.363 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.258 2.179 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.452 0.945 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.589 2.311 -9.941 1.00 0.00 H new ATOM 444 N PRO A 27 9.984 4.386 -14.698 1.00 -0.66 N ATOM 445 CA PRO A 27 9.035 5.274 -15.366 1.00 0.36 C ATOM 446 C PRO A 27 7.608 5.227 -14.794 1.00 0.57 C ATOM 447 O PRO A 27 7.184 4.269 -14.148 1.00 -0.57 O ATOM 448 CB PRO A 27 9.062 4.876 -16.846 1.00 0.00 C ATOM 449 CG PRO A 27 9.538 3.425 -16.854 1.00 0.00 C ATOM 450 CD PRO A 27 10.353 3.276 -15.568 1.00 0.30 C ATOM 0 HA PRO A 27 9.336 6.310 -15.209 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.075 4.970 -17.299 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.736 5.516 -17.415 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.697 2.732 -16.872 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.145 3.212 -17.734 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.142 2.322 -15.086 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.421 3.294 -15.784 1.00 0.30 H new ATOM 458 N HIS A 28 6.843 6.278 -15.105 1.00 -0.73 N ATOM 459 CA HIS A 28 5.487 6.522 -14.620 1.00 0.36 C ATOM 460 C HIS A 28 4.503 5.446 -15.097 1.00 0.57 C ATOM 461 O HIS A 28 3.644 5.013 -14.334 1.00 -0.57 O ATOM 462 CB HIS A 28 5.041 7.914 -15.112 1.00 0.17 C ATOM 463 CG HIS A 28 6.057 9.028 -14.928 1.00 0.18 C ATOM 464 ND1 HIS A 28 7.114 9.054 -14.043 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.141 10.181 -15.668 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.806 10.186 -14.244 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.254 10.914 -15.230 1.00 -0.70 N ATOM 0 H HIS A 28 7.170 7.014 -15.731 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.490 6.483 -13.531 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.792 7.844 -16.171 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.126 8.190 -14.588 1.00 0.17 H new ATOM 0 HD2 HIS A 28 5.463 10.475 -16.456 1.00 0.20 H new ATOM 0 HE1 HIS A 28 8.687 10.473 -13.689 1.00 0.65 H new ATOM 0 HE2 HIS A 28 7.578 11.813 -15.586 1.00 -0.70 H new ATOM 476 N ILE A 29 4.648 4.991 -16.350 1.00 -0.73 N ATOM 477 CA ILE A 29 3.854 3.900 -16.906 1.00 0.36 C ATOM 478 C ILE A 29 4.164 2.581 -16.189 1.00 0.57 C ATOM 479 O ILE A 29 3.243 1.800 -15.961 1.00 -0.57 O ATOM 480 CB ILE A 29 4.039 3.814 -18.440 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.203 2.650 -19.025 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.519 3.710 -18.866 1.00 0.00 C ATOM 483 CD1 ILE A 29 2.938 2.774 -20.530 1.00 0.00 C ATOM 0 H ILE A 29 5.327 5.377 -17.006 1.00 -0.73 H new ATOM 0 HA ILE A 29 2.798 4.105 -16.732 1.00 0.36 H new ATOM 0 HB ILE A 29 3.671 4.753 -18.855 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.721 1.710 -18.833 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.249 2.601 -18.500 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.582 3.653 -19.953 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.061 4.589 -18.517 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.961 2.814 -18.430 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.347 1.922 -20.867 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.392 3.696 -20.728 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.887 2.792 -21.066 1.00 0.00 H new ATOM 495 N THR A 30 5.423 2.354 -15.792 1.00 -0.73 N ATOM 496 CA THR A 30 5.796 1.207 -14.975 1.00 0.36 C ATOM 497 C THR A 30 5.154 1.355 -13.603 1.00 0.57 C ATOM 498 O THR A 30 4.506 0.399 -13.192 1.00 -0.57 O ATOM 499 CB THR A 30 7.325 1.020 -14.966 1.00 0.28 C ATOM 500 OG1 THR A 30 7.649 0.492 -16.239 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.877 0.083 -13.884 1.00 0.00 C ATOM 0 H THR A 30 6.206 2.963 -16.031 1.00 -0.73 H new ATOM 0 HA THR A 30 5.413 0.278 -15.397 1.00 0.36 H new ATOM 0 HB THR A 30 7.777 1.986 -14.742 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.617 0.351 -16.298 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.962 0.026 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.612 0.468 -12.899 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.450 -0.912 -14.012 1.00 0.00 H new ATOM 509 N VAL A 31 5.216 2.525 -12.941 1.00 -0.73 N ATOM 510 CA VAL A 31 4.484 2.735 -11.687 1.00 0.36 C ATOM 511 C VAL A 31 3.008 2.377 -11.875 1.00 0.57 C ATOM 512 O VAL A 31 2.505 1.568 -11.108 1.00 -0.57 O ATOM 513 CB VAL A 31 4.660 4.170 -11.129 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.672 4.459 -9.984 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.085 4.386 -10.606 1.00 0.00 C ATOM 0 H VAL A 31 5.761 3.329 -13.253 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.911 2.069 -10.938 1.00 0.36 H new ATOM 0 HB VAL A 31 4.461 4.852 -11.956 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.826 5.474 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.651 4.356 -10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.839 3.752 -9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.181 5.401 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.291 3.673 -9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.797 4.238 -11.418 1.00 0.00 H new ATOM 525 N ASP A 32 2.336 2.934 -12.886 1.00 -0.73 N ATOM 526 CA ASP A 32 0.898 2.768 -13.123 1.00 0.36 C ATOM 527 C ASP A 32 0.553 1.292 -13.411 1.00 0.57 C ATOM 528 O ASP A 32 -0.393 0.764 -12.825 1.00 -0.57 O ATOM 529 CB ASP A 32 0.524 3.747 -14.256 1.00 0.06 C ATOM 530 CG ASP A 32 -0.960 4.082 -14.468 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.747 4.072 -13.536 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.277 4.439 -15.709 1.00 -0.65 O ATOM 0 H ASP A 32 2.788 3.528 -13.581 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.302 3.010 -12.243 1.00 0.36 H new ATOM 0 HB2 ASP A 32 1.054 4.682 -14.076 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.909 3.338 -15.190 1.00 0.06 H new ATOM 538 N ARG A 33 1.357 0.578 -14.222 1.00 -0.73 N ATOM 539 CA ARG A 33 1.220 -0.873 -14.453 1.00 0.36 C ATOM 540 C ARG A 33 1.445 -1.677 -13.183 1.00 0.57 C ATOM 541 O ARG A 33 0.667 -2.591 -12.906 1.00 -0.57 O ATOM 542 CB ARG A 33 2.218 -1.365 -15.529 1.00 0.00 C ATOM 543 CG ARG A 33 1.534 -1.672 -16.868 1.00 0.00 C ATOM 544 CD ARG A 33 2.361 -1.199 -18.070 1.00 0.33 C ATOM 545 NE ARG A 33 1.631 -1.427 -19.328 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.532 -0.760 -19.725 1.00 1.20 C ATOM 547 NH1 ARG A 33 0.143 0.354 -19.095 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -0.180 -1.236 -20.747 1.00 -0.97 N ATOM 0 H ARG A 33 2.129 0.997 -14.741 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.197 -1.031 -14.796 1.00 0.36 H new ATOM 0 HB2 ARG A 33 2.985 -0.606 -15.682 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.723 -2.261 -15.169 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.364 -2.746 -16.948 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.556 -1.191 -16.892 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.591 -0.139 -17.965 1.00 0.33 H new ATOM 0 HD3 ARG A 33 3.312 -1.731 -18.095 1.00 0.33 H new ATOM 0 HE ARG A 33 1.988 -2.151 -19.951 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 0.681 0.707 -18.304 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -0.692 0.851 -19.406 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.111 -2.094 -21.216 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -1.016 -0.742 -21.060 1.00 -0.97 H new ATOM 562 N LEU A 34 2.508 -1.371 -12.437 1.00 -0.73 N ATOM 563 CA LEU A 34 2.846 -2.068 -11.207 1.00 0.36 C ATOM 564 C LEU A 34 1.741 -1.832 -10.182 1.00 0.57 C ATOM 565 O LEU A 34 1.276 -2.802 -9.598 1.00 -0.57 O ATOM 566 CB LEU A 34 4.230 -1.634 -10.690 1.00 0.00 C ATOM 567 CG LEU A 34 5.374 -2.583 -11.124 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.540 -2.724 -12.640 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.692 -2.126 -10.486 1.00 0.00 C ATOM 0 H LEU A 34 3.161 -0.625 -12.677 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.914 -3.139 -11.396 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.446 -0.628 -11.051 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.203 -1.583 -9.602 1.00 0.00 H new ATOM 0 HG LEU A 34 5.097 -3.575 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.363 -3.406 -12.854 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.620 -3.118 -13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.756 -1.748 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.496 -2.795 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.921 -1.111 -10.811 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.597 -2.147 -9.400 1.00 0.00 H new ATOM 581 N VAL A 35 1.262 -0.596 -10.009 1.00 -0.73 N ATOM 582 CA VAL A 35 0.102 -0.272 -9.184 1.00 0.36 C ATOM 583 C VAL A 35 -1.097 -1.101 -9.639 1.00 0.57 C ATOM 584 O VAL A 35 -1.733 -1.721 -8.791 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.146 1.263 -9.167 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.601 1.729 -9.324 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.410 1.846 -7.860 1.00 0.00 C ATOM 0 H VAL A 35 1.682 0.222 -10.450 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.285 -0.543 -8.144 1.00 0.36 H new ATOM 0 HB VAL A 35 0.367 1.629 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.639 2.818 -9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.995 1.377 -10.277 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.203 1.324 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.240 2.922 -7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.094 1.383 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.480 1.647 -7.799 1.00 0.00 H new ATOM 597 N SER A 36 -1.373 -1.182 -10.948 1.00 -0.73 N ATOM 598 CA SER A 36 -2.497 -1.967 -11.444 1.00 0.36 C ATOM 599 C SER A 36 -2.314 -3.454 -11.117 1.00 0.57 C ATOM 600 O SER A 36 -3.237 -4.058 -10.590 1.00 -0.57 O ATOM 601 CB SER A 36 -2.704 -1.719 -12.946 1.00 0.28 C ATOM 602 OG SER A 36 -4.081 -1.600 -13.253 1.00 -0.68 O ATOM 0 H SER A 36 -0.832 -0.713 -11.675 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.404 -1.643 -10.935 1.00 0.36 H new ATOM 0 HB2 SER A 36 -2.181 -0.810 -13.244 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.269 -2.539 -13.517 1.00 0.28 H new ATOM 0 HG SER A 36 -4.189 -1.441 -14.214 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.128 -4.040 -11.346 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.805 -5.437 -11.027 1.00 0.36 C ATOM 610 C LYS A 37 -0.862 -5.712 -9.512 1.00 0.57 C ATOM 611 O LYS A 37 -1.432 -6.720 -9.093 1.00 -0.57 O ATOM 612 CB LYS A 37 0.573 -5.788 -11.634 1.00 0.00 C ATOM 613 CG LYS A 37 0.451 -6.198 -13.116 1.00 0.00 C ATOM 614 CD LYS A 37 1.787 -6.134 -13.876 1.00 0.00 C ATOM 615 CE LYS A 37 1.646 -6.882 -15.211 1.00 0.50 C ATOM 616 NZ LYS A 37 2.868 -6.828 -16.033 1.00 -0.85 N ATOM 0 H LYS A 37 -0.347 -3.540 -11.770 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.560 -6.086 -11.471 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.239 -4.930 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.025 -6.601 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.056 -7.212 -13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.271 -5.546 -13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.068 -5.096 -14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.581 -6.580 -13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.394 -7.924 -15.013 1.00 0.50 H new ATOM 0 HE3 LYS A 37 0.816 -6.455 -15.775 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 2.713 -7.349 -16.920 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 3.097 -5.837 -16.249 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 3.657 -7.260 -15.511 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.328 -4.811 -8.683 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.380 -4.877 -7.224 1.00 0.36 C ATOM 632 C ALA A 38 -1.815 -4.813 -6.714 1.00 0.57 C ATOM 633 O ALA A 38 -2.224 -5.637 -5.892 1.00 -0.57 O ATOM 634 CB ALA A 38 0.408 -3.700 -6.639 1.00 0.00 C ATOM 0 H ALA A 38 0.169 -3.988 -9.023 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.055 -5.826 -6.911 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.373 -3.744 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.445 -3.755 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.032 -2.763 -6.979 1.00 0.00 H new ATOM 640 N LEU A 39 -2.582 -3.837 -7.202 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.986 -3.699 -6.869 1.00 0.36 C ATOM 642 C LEU A 39 -4.774 -4.889 -7.402 1.00 0.57 C ATOM 643 O LEU A 39 -5.700 -5.326 -6.732 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.540 -2.384 -7.432 1.00 0.00 C ATOM 645 CG LEU A 39 -4.140 -1.137 -6.625 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.576 0.131 -7.363 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.765 -1.127 -5.219 1.00 0.00 C ATOM 0 H LEU A 39 -2.238 -3.121 -7.842 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.089 -3.677 -5.784 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.193 -2.266 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.628 -2.446 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.056 -1.165 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.288 1.007 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.093 0.168 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.658 0.122 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.453 -0.227 -4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.852 -1.140 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.434 -2.007 -4.667 1.00 0.00 H new ATOM 659 N ASN A 40 -4.402 -5.456 -8.555 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.993 -6.690 -9.062 1.00 0.36 C ATOM 661 C ASN A 40 -4.802 -7.824 -8.066 1.00 0.57 C ATOM 662 O ASN A 40 -5.738 -8.590 -7.870 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.399 -7.097 -10.425 1.00 0.06 C ATOM 664 CG ASN A 40 -5.409 -7.030 -11.562 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.306 -6.192 -11.581 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.285 -7.935 -12.524 1.00 -0.80 N ATOM 0 H ASN A 40 -3.680 -5.067 -9.161 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.057 -6.500 -9.199 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -3.557 -6.445 -10.657 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -4.007 -8.112 -10.355 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -5.944 -7.945 -13.303 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.531 -8.621 -12.485 1.00 -0.80 H new ATOM 673 N MET A 41 -3.631 -7.937 -7.426 1.00 -0.73 N ATOM 674 CA MET A 41 -3.426 -8.951 -6.397 1.00 0.36 C ATOM 675 C MET A 41 -4.351 -8.716 -5.188 1.00 0.57 C ATOM 676 O MET A 41 -4.923 -9.681 -4.686 1.00 -0.57 O ATOM 677 CB MET A 41 -1.942 -9.053 -6.003 1.00 0.00 C ATOM 678 CG MET A 41 -1.071 -9.629 -7.127 1.00 0.23 C ATOM 679 SD MET A 41 0.608 -10.105 -6.617 1.00 -0.46 S ATOM 680 CE MET A 41 1.534 -8.626 -7.109 1.00 0.23 C ATOM 0 H MET A 41 -2.821 -7.343 -7.604 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.703 -9.920 -6.813 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.573 -8.064 -5.733 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.848 -9.681 -5.117 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.571 -10.503 -7.544 1.00 0.23 H new ATOM 0 HG3 MET A 41 -0.998 -8.891 -7.926 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.602 -8.811 -6.995 1.00 0.23 H new ATOM 0 HE2 MET A 41 1.315 -8.389 -8.150 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.242 -7.787 -6.477 1.00 0.23 H new ATOM 690 N TRP A 42 -4.580 -7.460 -4.771 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.579 -7.137 -3.738 1.00 0.36 C ATOM 692 C TRP A 42 -7.004 -7.477 -4.209 1.00 0.57 C ATOM 693 O TRP A 42 -7.744 -8.184 -3.522 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.460 -5.657 -3.320 1.00 0.18 C ATOM 695 CG TRP A 42 -4.455 -5.423 -2.238 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.114 -5.479 -2.385 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.684 -5.226 -0.809 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.512 -5.390 -1.148 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.435 -5.314 -0.137 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.827 -5.041 -0.002 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.324 -5.327 1.256 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.734 -5.027 1.403 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.488 -5.209 2.029 1.00 -0.15 C ATOM 0 H TRP A 42 -4.084 -6.647 -5.136 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.376 -7.754 -2.863 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.189 -5.062 -4.192 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.434 -5.303 -2.983 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.593 -5.578 -3.326 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.502 -5.382 -1.003 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.791 -4.908 -0.471 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.358 -5.426 1.729 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.621 -4.876 2.001 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.427 -5.258 3.106 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.376 -7.028 -5.408 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.687 -7.243 -6.010 1.00 0.36 C ATOM 716 C GLY A 43 -8.918 -8.692 -6.450 1.00 0.57 C ATOM 717 O GLY A 43 -10.040 -9.046 -6.797 1.00 -0.57 O ATOM 0 H GLY A 43 -6.750 -6.487 -6.005 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.459 -6.960 -5.295 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.796 -6.586 -6.873 1.00 0.36 H new ATOM 721 N LYS A 44 -7.897 -9.558 -6.430 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.086 -10.995 -6.631 1.00 0.36 C ATOM 723 C LYS A 44 -8.802 -11.626 -5.428 1.00 0.57 C ATOM 724 O LYS A 44 -9.428 -12.683 -5.576 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.743 -11.717 -6.901 1.00 0.00 C ATOM 726 CG LYS A 44 -6.801 -12.562 -8.190 1.00 0.00 C ATOM 727 CD LYS A 44 -6.303 -11.766 -9.412 1.00 0.00 C ATOM 728 CE LYS A 44 -6.942 -12.224 -10.731 1.00 0.50 C ATOM 729 NZ LYS A 44 -6.230 -13.358 -11.356 1.00 -0.85 N ATOM 0 H LYS A 44 -6.927 -9.283 -6.275 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.713 -11.119 -7.514 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.944 -10.981 -6.984 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.498 -12.359 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.193 -13.458 -8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.825 -12.893 -8.363 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.516 -10.708 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.220 -11.866 -9.486 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.977 -12.510 -10.546 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.962 -11.386 -11.428 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -6.707 -13.622 -12.242 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -5.249 -13.081 -11.561 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -6.232 -14.170 -10.706 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.705 -10.985 -4.253 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.175 -11.523 -2.985 1.00 0.36 C ATOM 745 C GLU A 45 -10.474 -10.832 -2.518 1.00 0.57 C ATOM 746 O GLU A 45 -11.146 -11.383 -1.647 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.066 -11.389 -1.922 1.00 0.00 C ATOM 748 CG GLU A 45 -6.706 -12.060 -2.202 1.00 0.06 C ATOM 749 CD GLU A 45 -6.754 -13.586 -2.298 1.00 0.66 C ATOM 750 OE1 GLU A 45 -7.579 -14.196 -1.637 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.859 -14.176 -3.085 1.00 -0.65 O ATOM 0 H GLU A 45 -8.287 -10.059 -4.165 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.409 -12.578 -3.126 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.886 -10.326 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.451 -11.794 -0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.306 -11.663 -3.135 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.009 -11.781 -1.412 1.00 0.06 H new ATOM 759 N ILE A 46 -10.869 -9.683 -3.106 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.149 -9.003 -2.840 1.00 0.36 C ATOM 761 C ILE A 46 -12.771 -8.457 -4.128 1.00 0.57 C ATOM 762 O ILE A 46 -12.034 -7.987 -4.987 1.00 -0.57 O ATOM 763 CB ILE A 46 -12.010 -7.842 -1.818 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.838 -6.862 -2.067 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.965 -8.452 -0.425 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.806 -5.685 -1.078 1.00 0.00 C ATOM 0 H ILE A 46 -10.294 -9.194 -3.792 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.801 -9.763 -2.410 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.881 -7.198 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.897 -7.408 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.910 -6.472 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.867 -7.659 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.884 -9.009 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.111 -9.126 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.960 -5.038 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.732 -5.115 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.703 -6.066 -0.062 1.00 0.00 H new ATOM 778 N PRO A 47 -14.115 -8.374 -4.234 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.797 -7.807 -5.401 1.00 0.36 C ATOM 780 C PRO A 47 -14.667 -6.271 -5.489 1.00 0.57 C ATOM 781 O PRO A 47 -15.359 -5.622 -6.278 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.251 -8.282 -5.272 1.00 0.00 C ATOM 783 CG PRO A 47 -16.467 -8.435 -3.768 1.00 0.00 C ATOM 784 CD PRO A 47 -15.087 -8.816 -3.236 1.00 0.30 C ATOM 0 HA PRO A 47 -14.346 -8.145 -6.334 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.945 -7.560 -5.702 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.409 -9.226 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.826 -7.509 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.207 -9.204 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.898 -8.339 -2.274 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -15.017 -9.892 -3.078 1.00 0.30 H new ATOM 792 N LEU A 48 -13.809 -5.670 -4.662 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.564 -4.240 -4.586 1.00 0.36 C ATOM 794 C LEU A 48 -12.574 -3.883 -5.696 1.00 0.57 C ATOM 795 O LEU A 48 -11.577 -4.581 -5.875 1.00 -0.57 O ATOM 796 CB LEU A 48 -13.021 -3.931 -3.181 1.00 0.00 C ATOM 797 CG LEU A 48 -13.501 -2.596 -2.591 1.00 0.00 C ATOM 798 CD1 LEU A 48 -13.277 -2.591 -1.076 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.788 -1.386 -3.186 1.00 0.00 C ATOM 0 H LEU A 48 -13.242 -6.198 -3.998 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.465 -3.644 -4.733 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.312 -4.737 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.932 -3.926 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.560 -2.513 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.618 -1.643 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.838 -3.409 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.215 -2.718 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.173 -0.475 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.718 -1.464 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.963 -1.353 -4.261 1.00 0.00 H new ATOM 811 N HIS A 49 -12.858 -2.812 -6.437 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.101 -2.414 -7.622 1.00 0.36 C ATOM 813 C HIS A 49 -11.600 -0.974 -7.465 1.00 0.57 C ATOM 814 O HIS A 49 -11.984 -0.263 -6.536 1.00 -0.57 O ATOM 815 CB HIS A 49 -12.983 -2.583 -8.870 1.00 0.17 C ATOM 816 CG HIS A 49 -13.214 -4.016 -9.299 1.00 0.18 C ATOM 817 ND1 HIS A 49 -13.945 -4.987 -8.641 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -12.739 -4.591 -10.449 1.00 0.20 C ATOM 819 CE1 HIS A 49 -13.881 -6.112 -9.373 1.00 0.65 C ATOM 820 NE2 HIS A 49 -13.166 -5.922 -10.494 1.00 -0.70 N ATOM 0 H HIS A 49 -13.635 -2.186 -6.226 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.225 -3.052 -7.738 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.949 -2.116 -8.680 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -12.524 -2.041 -9.697 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.443 -4.871 -7.759 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -12.135 -4.098 -11.196 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.344 -7.047 -9.096 1.00 0.65 H new ATOM 829 N PHE A 50 -10.734 -0.523 -8.379 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.054 0.762 -8.255 1.00 0.36 C ATOM 831 C PHE A 50 -9.892 1.359 -9.651 1.00 0.57 C ATOM 832 O PHE A 50 -9.702 0.619 -10.621 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.694 0.617 -7.534 1.00 0.14 C ATOM 834 CG PHE A 50 -8.562 -0.635 -6.681 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.057 -0.673 -5.364 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.081 -1.815 -7.275 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -9.078 -1.887 -4.656 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.094 -3.026 -6.560 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.591 -3.064 -5.249 1.00 -0.15 C ATOM 0 H PHE A 50 -10.488 -1.041 -9.223 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.653 1.434 -7.641 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -7.900 0.618 -8.280 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.538 1.491 -6.901 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.421 0.231 -4.897 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -7.700 -1.791 -8.285 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.471 -1.915 -3.650 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.721 -3.928 -7.021 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.599 -3.993 -4.698 1.00 -0.15 H new ATOM 849 N ARG A 51 -9.963 2.688 -9.751 1.00 -0.73 N ATOM 850 CA ARG A 51 -9.901 3.438 -11.008 1.00 0.36 C ATOM 851 C ARG A 51 -9.140 4.738 -10.780 1.00 0.57 C ATOM 852 O ARG A 51 -8.931 5.137 -9.638 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.328 3.729 -11.513 1.00 0.00 C ATOM 854 CG ARG A 51 -11.881 2.580 -12.365 1.00 0.00 C ATOM 855 CD ARG A 51 -13.340 2.841 -12.769 1.00 0.33 C ATOM 856 NE ARG A 51 -13.501 2.949 -14.232 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.544 2.498 -14.947 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.605 1.952 -14.346 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -14.507 2.590 -16.279 1.00 -0.97 N ATOM 0 H ARG A 51 -10.068 3.291 -8.935 1.00 -0.73 H new ATOM 0 HA ARG A 51 -9.381 2.849 -11.763 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -11.987 3.898 -10.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.325 4.647 -12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.269 2.460 -13.259 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.817 1.646 -11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.969 2.034 -12.394 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -13.687 3.761 -12.298 1.00 0.33 H new ATOM 0 HE ARG A 51 -12.751 3.409 -14.748 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.631 1.873 -13.329 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -16.389 1.614 -14.904 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -13.694 2.999 -16.740 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.292 2.252 -16.836 1.00 -0.97 H new ATOM 873 N LYS A 52 -8.744 5.420 -11.857 1.00 -0.73 N ATOM 874 CA LYS A 52 -7.987 6.663 -11.772 1.00 0.36 C ATOM 875 C LYS A 52 -8.914 7.829 -12.105 1.00 0.57 C ATOM 876 O LYS A 52 -9.798 7.701 -12.953 1.00 -0.57 O ATOM 877 CB LYS A 52 -6.768 6.565 -12.700 1.00 0.00 C ATOM 878 CG LYS A 52 -5.750 7.701 -12.510 1.00 0.00 C ATOM 879 CD LYS A 52 -4.446 7.374 -13.261 1.00 0.00 C ATOM 880 CE LYS A 52 -3.887 8.599 -13.999 1.00 0.50 C ATOM 881 NZ LYS A 52 -3.140 8.217 -15.221 1.00 -0.85 N ATOM 0 H LYS A 52 -8.941 5.122 -12.812 1.00 -0.73 H new ATOM 0 HA LYS A 52 -7.607 6.837 -10.765 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -6.269 5.611 -12.530 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.110 6.566 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.166 8.638 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.543 7.840 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.703 7.006 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.630 6.572 -13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.707 9.265 -14.268 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.230 9.156 -13.331 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -2.780 9.073 -15.689 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -2.342 7.602 -14.962 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -3.773 7.708 -15.870 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.729 8.957 -11.419 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.516 10.166 -11.659 1.00 0.36 C ATOM 897 C VAL A 53 -9.079 10.857 -12.956 1.00 0.57 C ATOM 898 O VAL A 53 -7.944 10.686 -13.404 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.434 11.116 -10.448 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.052 10.425 -9.228 1.00 0.00 C ATOM 901 CG2 VAL A 53 -7.995 11.552 -10.138 1.00 0.00 C ATOM 0 H VAL A 53 -8.031 9.058 -10.683 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.560 9.880 -11.783 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.990 12.021 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.998 11.091 -8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.095 10.184 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.504 9.508 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.995 12.220 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.388 10.674 -9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.579 12.072 -11.001 1.00 0.00 H new ATOM 911 N VAL A 54 -9.980 11.662 -13.538 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.755 12.350 -14.812 1.00 0.36 C ATOM 913 C VAL A 54 -8.638 13.396 -14.697 1.00 0.57 C ATOM 914 O VAL A 54 -7.782 13.481 -15.575 1.00 -0.57 O ATOM 915 CB VAL A 54 -11.075 12.969 -15.339 1.00 0.00 C ATOM 916 CG1 VAL A 54 -12.143 11.885 -15.560 1.00 0.00 C ATOM 917 CG2 VAL A 54 -11.683 14.063 -14.435 1.00 0.00 C ATOM 0 H VAL A 54 -10.895 11.854 -13.130 1.00 -0.73 H new ATOM 0 HA VAL A 54 -9.421 11.612 -15.541 1.00 0.36 H new ATOM 0 HB VAL A 54 -10.791 13.444 -16.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -13.059 12.346 -15.930 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -11.781 11.161 -16.290 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.347 11.378 -14.617 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.603 14.437 -14.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.903 13.643 -13.453 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.973 14.883 -14.328 1.00 0.00 H new ATOM 927 N TRP A 55 -8.652 14.177 -13.609 1.00 -0.73 N ATOM 928 CA TRP A 55 -7.710 15.212 -13.214 1.00 0.36 C ATOM 929 C TRP A 55 -8.210 15.688 -11.839 1.00 0.57 C ATOM 930 O TRP A 55 -9.422 15.676 -11.608 1.00 -0.57 O ATOM 931 CB TRP A 55 -7.719 16.370 -14.231 1.00 0.18 C ATOM 932 CG TRP A 55 -6.728 17.469 -13.991 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -6.923 18.546 -13.198 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -5.388 17.632 -14.557 1.00 0.00 C ATOM 935 NE1 TRP A 55 -5.808 19.357 -13.224 1.00 0.03 N ATOM 936 CE2 TRP A 55 -4.828 18.846 -14.051 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -4.593 16.885 -15.453 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -3.549 19.292 -14.420 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -3.309 17.325 -15.832 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -2.787 18.526 -15.320 1.00 -0.15 C ATOM 0 H TRP A 55 -9.400 14.084 -12.922 1.00 -0.73 H new ATOM 0 HA TRP A 55 -6.684 14.846 -13.174 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -7.538 15.956 -15.223 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -8.718 16.806 -14.245 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -7.819 18.742 -12.628 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -5.719 20.226 -12.698 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -4.976 15.959 -15.856 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -3.155 20.213 -14.017 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -2.722 16.736 -16.521 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -1.804 18.859 -15.617 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.309 16.090 -10.934 1.00 -0.73 N ATOM 952 CA GLY A 56 -7.677 16.676 -9.646 1.00 0.36 C ATOM 953 C GLY A 56 -7.075 15.893 -8.482 1.00 0.57 C ATOM 954 O GLY A 56 -5.849 15.814 -8.354 1.00 -0.57 O ATOM 0 H GLY A 56 -6.302 16.016 -11.078 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -7.336 17.710 -9.605 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -8.763 16.694 -9.550 1.00 0.36 H new ATOM 958 N THR A 57 -7.943 15.313 -7.648 1.00 -0.73 N ATOM 959 CA THR A 57 -7.621 14.579 -6.427 1.00 0.36 C ATOM 960 C THR A 57 -8.412 13.263 -6.425 1.00 0.57 C ATOM 961 O THR A 57 -9.349 13.113 -7.208 1.00 -0.57 O ATOM 962 CB THR A 57 -7.966 15.435 -5.192 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.315 15.859 -5.228 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.088 16.689 -5.103 1.00 0.00 C ATOM 0 H THR A 57 -8.948 15.347 -7.820 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.555 14.356 -6.390 1.00 0.36 H new ATOM 0 HB THR A 57 -7.788 14.800 -4.324 1.00 0.28 H new ATOM 0 HG1 THR A 57 -9.510 16.399 -4.433 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -7.364 17.264 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.041 16.396 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.235 17.300 -5.994 1.00 0.00 H new ATOM 972 N ALA A 58 -8.033 12.308 -5.565 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.608 10.970 -5.524 1.00 0.36 C ATOM 974 C ALA A 58 -8.607 10.441 -4.090 1.00 0.57 C ATOM 975 O ALA A 58 -7.950 11.012 -3.216 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.781 10.053 -6.426 1.00 0.00 C ATOM 0 H ALA A 58 -7.303 12.454 -4.867 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.639 11.000 -5.877 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.200 9.047 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.801 10.433 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.751 10.024 -6.070 1.00 0.00 H new ATOM 982 N ASP A 59 -9.317 9.329 -3.864 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.371 8.653 -2.570 1.00 0.36 C ATOM 984 C ASP A 59 -7.961 8.144 -2.185 1.00 0.57 C ATOM 985 O ASP A 59 -7.615 8.188 -1.007 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.377 7.481 -2.569 1.00 0.06 C ATOM 987 CG ASP A 59 -11.825 7.757 -3.012 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.078 7.534 -4.184 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.743 8.119 -2.120 1.00 -0.65 O ATOM 0 H ASP A 59 -9.875 8.871 -4.585 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.715 9.378 -1.832 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -9.976 6.699 -3.214 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.411 7.074 -1.558 1.00 0.06 H new ATOM 995 N ILE A 60 -7.130 7.742 -3.165 1.00 -0.73 N ATOM 996 CA ILE A 60 -5.772 7.202 -3.009 1.00 0.36 C ATOM 997 C ILE A 60 -4.806 8.077 -3.837 1.00 0.57 C ATOM 998 O ILE A 60 -4.397 7.730 -4.947 1.00 -0.57 O ATOM 999 CB ILE A 60 -5.730 5.698 -3.404 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -6.695 4.806 -2.588 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.310 5.107 -3.267 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.054 3.505 -3.326 1.00 0.00 C ATOM 0 H ILE A 60 -7.409 7.790 -4.145 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.456 7.240 -1.966 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.052 5.689 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.238 4.563 -1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.607 5.363 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.325 4.055 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.625 5.650 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.976 5.198 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.733 2.914 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.537 3.745 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.146 2.933 -3.517 1.00 0.00 H new ATOM 1014 N MET A 61 -4.469 9.258 -3.317 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.393 10.121 -3.790 1.00 0.36 C ATOM 1016 C MET A 61 -2.055 9.497 -3.384 1.00 0.57 C ATOM 1017 O MET A 61 -1.687 9.482 -2.208 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.532 11.530 -3.178 1.00 0.00 C ATOM 1019 CG MET A 61 -2.470 12.509 -3.691 1.00 0.23 C ATOM 1020 SD MET A 61 -1.688 13.558 -2.424 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.910 14.892 -2.314 1.00 0.23 C ATOM 0 H MET A 61 -4.963 9.655 -2.518 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.443 10.215 -4.875 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.523 11.924 -3.406 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.459 11.458 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.691 11.939 -4.197 1.00 0.23 H new ATOM 0 HG3 MET A 61 -2.929 13.155 -4.439 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.583 15.625 -1.577 1.00 0.23 H new ATOM 0 HE2 MET A 61 -3.010 15.375 -3.286 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.873 14.479 -2.013 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.311 9.017 -4.374 1.00 -0.73 N ATOM 1032 CA ILE A 62 0.054 8.539 -4.237 1.00 0.36 C ATOM 1033 C ILE A 62 0.923 9.722 -4.679 1.00 0.57 C ATOM 1034 O ILE A 62 0.692 10.287 -5.750 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.214 7.287 -5.131 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.748 6.149 -4.703 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.651 6.747 -5.142 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.303 5.392 -5.915 1.00 0.00 C ATOM 0 H ILE A 62 -1.659 8.949 -5.330 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.336 8.234 -3.230 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.038 7.616 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.222 5.454 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.573 6.567 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.705 5.869 -5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.326 7.515 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.945 6.473 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.973 4.602 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.852 6.083 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.480 4.952 -6.477 1.00 0.00 H new ATOM 1050 N GLY A 63 1.901 10.135 -3.875 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.765 11.252 -4.238 1.00 0.36 C ATOM 1052 C GLY A 63 4.067 11.169 -3.479 1.00 0.57 C ATOM 1053 O GLY A 63 4.076 10.671 -2.358 1.00 -0.57 O ATOM 0 H GLY A 63 2.113 9.713 -2.971 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.959 11.238 -5.311 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.265 12.195 -4.016 1.00 0.36 H new ATOM 1057 N PHE A 64 5.168 11.643 -4.060 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.476 11.441 -3.464 1.00 0.36 C ATOM 1059 C PHE A 64 7.027 12.802 -3.021 1.00 0.57 C ATOM 1060 O PHE A 64 6.472 13.867 -3.335 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.366 10.622 -4.423 1.00 0.14 C ATOM 1062 CG PHE A 64 6.709 9.417 -5.104 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.768 8.606 -4.437 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.042 9.094 -6.431 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 5.152 7.521 -5.085 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.412 8.021 -7.092 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.457 7.241 -6.425 1.00 -0.15 C ATOM 0 H PHE A 64 5.175 12.165 -4.936 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.434 10.836 -2.558 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.738 11.291 -5.199 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.233 10.268 -3.865 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.516 8.822 -3.409 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.790 9.675 -6.950 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.445 6.904 -4.551 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.666 7.798 -8.118 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.960 6.431 -6.939 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.092 12.755 -2.225 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.745 13.922 -1.652 1.00 0.36 C ATOM 1079 C ALA A 65 10.239 13.650 -1.598 1.00 0.57 C ATOM 1080 O ALA A 65 10.615 12.490 -1.504 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.214 14.127 -0.233 1.00 0.00 C ATOM 0 H ALA A 65 8.535 11.877 -1.955 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.549 14.812 -2.250 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.693 14.999 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.136 14.283 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.434 13.245 0.369 1.00 0.00 H new ATOM 1087 N ARG A 66 11.089 14.677 -1.594 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.512 14.479 -1.324 1.00 0.36 C ATOM 1089 C ARG A 66 12.783 14.975 0.083 1.00 0.57 C ATOM 1090 O ARG A 66 12.714 16.182 0.332 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.400 15.195 -2.350 1.00 0.00 C ATOM 1092 CG ARG A 66 13.694 14.315 -3.572 1.00 0.00 C ATOM 1093 CD ARG A 66 14.816 14.963 -4.389 1.00 0.33 C ATOM 1094 NE ARG A 66 14.726 14.638 -5.821 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.405 15.277 -6.785 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.267 16.250 -6.483 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 15.219 14.946 -8.062 1.00 -0.97 N ATOM 0 H ARG A 66 10.820 15.645 -1.773 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.758 13.421 -1.409 1.00 0.36 H new ATOM 0 HB2 ARG A 66 12.911 16.113 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.339 15.484 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.988 13.315 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.798 14.205 -4.182 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.777 16.045 -4.261 1.00 0.33 H new ATOM 0 HD3 ARG A 66 15.780 14.632 -4.004 1.00 0.33 H new ATOM 0 HE ARG A 66 14.107 13.877 -6.099 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.416 16.516 -5.509 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 16.777 16.728 -7.226 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.560 14.207 -8.306 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 15.735 15.432 -8.795 1.00 -0.97 H new ATOM 1111 N GLY A 67 13.065 14.050 1.000 1.00 -0.73 N ATOM 1112 CA GLY A 67 13.500 14.364 2.352 1.00 0.36 C ATOM 1113 C GLY A 67 12.368 14.825 3.269 1.00 0.57 C ATOM 1114 O GLY A 67 12.289 14.322 4.383 1.00 -0.57 O ATOM 0 H GLY A 67 12.995 13.049 0.818 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.972 13.483 2.786 1.00 0.36 H new ATOM 0 HA3 GLY A 67 14.261 15.144 2.308 1.00 0.36 H new ATOM 1118 N ALA A 68 11.499 15.751 2.834 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.374 16.267 3.620 1.00 0.36 C ATOM 1120 C ALA A 68 9.265 16.836 2.715 1.00 0.57 C ATOM 1121 O ALA A 68 9.491 17.079 1.527 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.883 17.349 4.582 1.00 0.00 C ATOM 0 H ALA A 68 11.563 16.169 1.906 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.942 15.443 4.187 1.00 0.36 H new ATOM 0 HB1 ALA A 68 10.050 17.736 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.629 16.920 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.332 18.161 4.011 1.00 0.00 H new ATOM 1128 N HIS A 69 8.065 17.064 3.280 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.892 17.568 2.559 1.00 0.36 C ATOM 1130 C HIS A 69 5.856 18.178 3.513 1.00 0.57 C ATOM 1131 O HIS A 69 5.872 17.933 4.719 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.235 16.477 1.684 1.00 0.17 C ATOM 1133 CG HIS A 69 5.874 15.169 2.355 1.00 0.18 C ATOM 1134 ND1 HIS A 69 6.566 14.542 3.361 1.00 -0.70 N ATOM 1135 CD2 HIS A 69 4.826 14.343 2.032 1.00 0.20 C ATOM 1136 CE1 HIS A 69 5.948 13.394 3.643 1.00 0.65 C ATOM 1137 NE2 HIS A 69 4.882 13.207 2.850 1.00 -0.70 N ATOM 0 H HIS A 69 7.885 16.898 4.270 1.00 -0.73 H new ATOM 0 HA HIS A 69 7.254 18.356 1.898 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.326 16.895 1.250 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.910 16.256 0.857 1.00 0.17 H new ATOM 0 HD1 HIS A 69 7.409 14.894 3.815 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 4.082 14.537 1.273 1.00 0.20 H new ATOM 0 HE1 HIS A 69 6.265 12.704 4.411 1.00 0.65 H new ATOM 1146 N GLY A 70 4.947 18.974 2.937 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.941 19.763 3.635 1.00 0.36 C ATOM 1148 C GLY A 70 2.627 19.007 3.804 1.00 0.57 C ATOM 1149 O GLY A 70 1.595 19.477 3.325 1.00 -0.57 O ATOM 0 H GLY A 70 4.896 19.086 1.925 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.322 20.048 4.616 1.00 0.36 H new ATOM 0 HA3 GLY A 70 3.759 20.685 3.083 1.00 0.36 H new ATOM 1153 N ASP A 71 2.676 17.843 4.470 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.497 17.015 4.743 1.00 0.36 C ATOM 1155 C ASP A 71 1.241 16.888 6.259 1.00 0.57 C ATOM 1156 O ASP A 71 0.143 17.187 6.736 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.660 15.641 4.054 1.00 0.06 C ATOM 1158 CG ASP A 71 2.492 14.649 4.874 1.00 0.66 C ATOM 1159 OD1 ASP A 71 3.603 14.994 5.240 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.914 13.508 5.240 1.00 -0.65 O ATOM 0 H ASP A 71 3.543 17.449 4.836 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.613 17.498 4.326 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.674 15.214 3.871 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.131 15.783 3.081 1.00 0.06 H new ATOM 1166 N SER A 72 2.267 16.479 7.020 1.00 -0.73 N ATOM 1167 CA SER A 72 2.194 16.040 8.411 1.00 0.36 C ATOM 1168 C SER A 72 3.561 15.528 8.890 1.00 0.57 C ATOM 1169 O SER A 72 3.936 15.806 10.031 1.00 -0.57 O ATOM 1170 CB SER A 72 1.168 14.899 8.562 1.00 0.28 C ATOM 1171 OG SER A 72 0.843 14.729 9.922 1.00 -0.68 O ATOM 0 H SER A 72 3.219 16.446 6.656 1.00 -0.73 H new ATOM 0 HA SER A 72 1.890 16.897 9.013 1.00 0.36 H new ATOM 0 HB2 SER A 72 0.269 15.127 7.989 1.00 0.28 H new ATOM 0 HB3 SER A 72 1.577 13.973 8.158 1.00 0.28 H new ATOM 0 HG SER A 72 0.190 14.004 10.014 1.00 -0.68 H new ATOM 1177 N TYR A 73 4.315 14.818 8.029 1.00 -0.73 N ATOM 1178 CA TYR A 73 5.530 14.108 8.421 1.00 0.36 C ATOM 1179 C TYR A 73 6.709 14.611 7.585 1.00 0.57 C ATOM 1180 O TYR A 73 6.766 14.327 6.387 1.00 -0.57 O ATOM 1181 CB TYR A 73 5.356 12.594 8.222 1.00 0.14 C ATOM 1182 CG TYR A 73 4.475 11.920 9.255 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 4.990 11.655 10.540 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 3.153 11.552 8.936 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 4.182 11.042 11.513 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 2.335 10.951 9.910 1.00 -0.15 C ATOM 1187 CZ TYR A 73 2.845 10.695 11.205 1.00 0.08 C ATOM 1188 OH TYR A 73 2.047 10.116 12.147 1.00 -0.53 O ATOM 0 H TYR A 73 4.090 14.725 7.038 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.725 14.298 9.476 1.00 0.36 H new ATOM 0 HB2 TYR A 73 4.934 12.417 7.233 1.00 0.14 H new ATOM 0 HB3 TYR A 73 6.339 12.123 8.239 1.00 0.14 H new ATOM 0 HD1 TYR A 73 6.009 11.924 10.778 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 2.767 11.731 7.943 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 4.581 10.836 12.495 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 1.316 10.685 9.669 1.00 -0.15 H new ATOM 0 HH TYR A 73 1.161 9.946 11.765 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.716 15.276 8.181 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.882 15.766 7.455 1.00 0.36 C ATOM 1200 C PRO A 74 9.876 14.642 7.106 1.00 0.57 C ATOM 1201 O PRO A 74 11.066 14.919 6.998 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.481 16.850 8.363 1.00 0.00 C ATOM 1203 CG PRO A 74 9.143 16.364 9.768 1.00 0.00 C ATOM 1204 CD PRO A 74 7.823 15.609 9.596 1.00 0.30 C ATOM 0 HA PRO A 74 8.615 16.173 6.480 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.557 16.944 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.045 17.829 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.924 15.715 10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.038 17.197 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.810 14.707 10.208 1.00 0.30 H new ATOM 0 HD3 PRO A 74 6.981 16.223 9.914 1.00 0.30 H new ATOM 1212 N PHE A 75 9.397 13.397 6.927 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.187 12.205 6.614 1.00 0.36 C ATOM 1214 C PHE A 75 11.487 12.161 7.441 1.00 0.57 C ATOM 1215 O PHE A 75 11.429 12.303 8.666 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.306 12.049 5.072 1.00 0.14 C ATOM 1217 CG PHE A 75 9.358 11.045 4.447 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 9.383 9.691 4.836 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.498 11.457 3.412 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 8.506 8.770 4.239 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.615 10.540 2.820 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.610 9.203 3.247 1.00 -0.15 C ATOM 0 H PHE A 75 8.401 13.192 7.002 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.682 11.294 6.935 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.135 13.022 4.611 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.328 11.758 4.831 1.00 0.14 H new ATOM 0 HD1 PHE A 75 10.077 9.361 5.594 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.517 12.482 3.072 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 8.520 7.733 4.541 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.942 10.862 2.039 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.913 8.503 2.810 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.604 11.818 6.805 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.864 11.384 7.388 1.00 0.36 C ATOM 1234 C ASP A 76 14.966 11.517 6.321 1.00 0.57 C ATOM 1235 O ASP A 76 16.069 11.980 6.646 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.719 9.897 7.805 1.00 0.06 C ATOM 1237 CG ASP A 76 13.157 8.931 6.740 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.738 9.347 5.673 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 13.121 7.631 7.018 1.00 -0.65 O ATOM 0 H ASP A 76 12.652 11.839 5.786 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.121 11.989 8.258 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.699 9.532 8.112 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.073 9.851 8.682 1.00 0.06 H new ATOM 1245 N GLY A 77 14.662 11.160 5.064 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.628 11.041 3.990 1.00 0.36 C ATOM 1247 C GLY A 77 16.139 9.596 3.912 1.00 0.57 C ATOM 1248 O GLY A 77 15.409 8.678 4.294 1.00 -0.57 O ATOM 0 H GLY A 77 13.709 10.943 4.771 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 15.170 11.327 3.043 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.461 11.723 4.160 1.00 0.36 H new ATOM 1252 N PRO A 78 17.362 9.375 3.394 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.867 8.058 3.023 1.00 0.36 C ATOM 1254 C PRO A 78 18.078 7.122 4.221 1.00 0.57 C ATOM 1255 O PRO A 78 19.086 7.220 4.923 1.00 -0.57 O ATOM 1256 CB PRO A 78 19.144 8.314 2.207 1.00 0.00 C ATOM 1257 CG PRO A 78 19.620 9.691 2.670 1.00 0.00 C ATOM 1258 CD PRO A 78 18.324 10.409 3.040 1.00 0.30 C ATOM 0 HA PRO A 78 17.133 7.515 2.428 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.897 7.549 2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.940 8.303 1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.295 9.617 3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.159 10.216 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.484 11.092 3.875 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.960 11.007 2.204 1.00 0.30 H new ATOM 1266 N GLY A 79 17.144 6.187 4.428 1.00 -0.73 N ATOM 1267 CA GLY A 79 17.191 5.186 5.494 1.00 0.36 C ATOM 1268 C GLY A 79 15.876 5.190 6.266 1.00 0.57 C ATOM 1269 O GLY A 79 14.992 5.970 5.949 1.00 -0.57 O ATOM 0 H GLY A 79 16.313 6.105 3.842 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.371 4.198 5.070 1.00 0.36 H new ATOM 0 HA3 GLY A 79 18.020 5.399 6.169 1.00 0.36 H new ATOM 1273 N ASN A 80 15.747 4.349 7.301 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.552 4.265 8.151 1.00 0.36 C ATOM 1275 C ASN A 80 13.247 4.156 7.326 1.00 0.57 C ATOM 1276 O ASN A 80 13.225 3.477 6.301 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.574 5.404 9.197 1.00 0.06 C ATOM 1278 CG ASN A 80 13.920 4.982 10.512 1.00 0.57 C ATOM 1279 OD1 ASN A 80 14.395 4.084 11.206 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 12.794 5.577 10.882 1.00 -0.80 N ATOM 0 H ASN A 80 16.482 3.697 7.575 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.572 3.331 8.713 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.605 5.705 9.384 1.00 0.06 H new ATOM 0 HB3 ASN A 80 14.055 6.275 8.796 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.324 5.290 11.740 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 12.398 6.322 10.308 1.00 -0.80 H new ATOM 1287 N THR A 81 12.144 4.751 7.793 1.00 -0.73 N ATOM 1288 CA THR A 81 10.829 4.807 7.157 1.00 0.36 C ATOM 1289 C THR A 81 10.909 5.184 5.665 1.00 0.57 C ATOM 1290 O THR A 81 11.222 6.320 5.317 1.00 -0.57 O ATOM 1291 CB THR A 81 9.966 5.819 7.940 1.00 0.28 C ATOM 1292 OG1 THR A 81 10.134 5.638 9.337 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.472 5.692 7.628 1.00 0.00 C ATOM 0 H THR A 81 12.150 5.240 8.688 1.00 -0.73 H new ATOM 0 HA THR A 81 10.378 3.815 7.187 1.00 0.36 H new ATOM 0 HB THR A 81 10.306 6.807 7.628 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.582 6.288 9.820 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.915 6.429 8.207 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.306 5.866 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.130 4.691 7.889 1.00 0.00 H new ATOM 1301 N LEU A 82 10.609 4.242 4.767 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.701 4.442 3.326 1.00 0.36 C ATOM 1303 C LEU A 82 9.451 5.115 2.730 1.00 0.57 C ATOM 1304 O LEU A 82 9.541 5.900 1.784 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.982 3.093 2.634 1.00 0.00 C ATOM 1306 CG LEU A 82 12.216 2.335 3.173 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.351 0.997 2.454 1.00 0.00 C ATOM 1308 CD2 LEU A 82 13.531 3.094 2.974 1.00 0.00 C ATOM 0 H LEU A 82 10.292 3.308 5.028 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.528 5.128 3.144 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.105 2.455 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.118 3.269 1.567 1.00 0.00 H new ATOM 0 HG LEU A 82 12.049 2.213 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.222 0.465 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.456 0.399 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 82 12.472 1.169 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 82 14.356 2.505 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.693 3.268 1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.482 4.050 3.495 1.00 0.00 H new ATOM 1320 N ALA A 83 8.268 4.823 3.284 1.00 -0.73 N ATOM 1321 CA ALA A 83 7.000 5.389 2.840 1.00 0.36 C ATOM 1322 C ALA A 83 5.994 5.344 3.990 1.00 0.57 C ATOM 1323 O ALA A 83 6.252 4.697 5.005 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.494 4.638 1.604 1.00 0.00 C ATOM 0 H ALA A 83 8.169 4.176 4.066 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.136 6.432 2.553 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.546 5.068 1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.226 4.725 0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.350 3.586 1.851 1.00 0.00 H new ATOM 1330 N HIS A 84 4.863 6.037 3.866 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.772 5.943 4.823 1.00 0.36 C ATOM 1332 C HIS A 84 2.443 6.217 4.129 1.00 0.57 C ATOM 1333 O HIS A 84 2.363 7.044 3.217 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.001 6.916 5.992 1.00 0.17 C ATOM 1335 CG HIS A 84 3.971 8.378 5.619 1.00 0.18 C ATOM 1336 ND1 HIS A 84 5.050 9.230 5.548 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 2.854 9.119 5.326 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.577 10.448 5.244 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.246 10.436 5.091 1.00 -0.70 N ATOM 0 H HIS A 84 4.681 6.680 3.095 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.741 4.932 5.230 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.240 6.734 6.751 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.966 6.692 6.448 1.00 0.17 H new ATOM 0 HD2 HIS A 84 1.842 8.745 5.284 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.193 11.329 5.136 1.00 0.65 H new ATOM 0 HE2 HIS A 84 2.645 11.225 4.853 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.375 5.607 4.644 1.00 -0.73 N ATOM 1349 CA ALA A 85 0.031 5.734 4.113 1.00 0.36 C ATOM 1350 C ALA A 85 -0.957 5.882 5.256 1.00 0.57 C ATOM 1351 O ALA A 85 -0.646 5.564 6.409 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.298 4.507 3.259 1.00 0.00 C ATOM 0 H ALA A 85 1.429 4.998 5.461 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.037 6.622 3.484 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.308 4.602 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.413 4.436 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.233 3.609 3.873 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.156 6.350 4.916 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.208 6.616 5.875 1.00 0.36 C ATOM 1360 C PHE A 86 -4.385 5.693 5.554 1.00 0.57 C ATOM 1361 O PHE A 86 -4.712 5.480 4.387 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.599 8.104 5.812 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.445 9.078 5.584 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.390 9.193 6.511 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.407 9.843 4.404 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.326 10.079 6.258 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.348 10.730 4.151 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.305 10.849 5.084 1.00 -0.15 C ATOM 0 H PHE A 86 -2.420 6.555 3.953 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.877 6.416 6.894 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.327 8.237 5.012 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.098 8.370 6.744 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.398 8.602 7.415 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.204 9.747 3.682 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.480 10.167 6.972 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.336 11.317 3.245 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.511 11.531 4.899 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.029 5.158 6.589 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.243 4.357 6.464 1.00 0.36 C ATOM 1380 C ALA A 87 -7.361 5.097 5.700 1.00 0.57 C ATOM 1381 O ALA A 87 -7.323 6.326 5.633 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.691 4.019 7.878 1.00 0.00 C ATOM 0 H ALA A 87 -4.716 5.271 7.553 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.034 3.458 5.884 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.599 3.418 7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.906 3.457 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.889 4.940 8.427 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.374 4.401 5.146 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.433 5.037 4.383 1.00 0.36 C ATOM 1390 C PRO A 88 -10.323 5.891 5.281 1.00 0.57 C ATOM 1391 O PRO A 88 -10.502 5.610 6.468 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.218 3.906 3.721 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.933 2.669 4.552 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.610 2.971 5.241 1.00 0.30 C ATOM 0 HA PRO A 88 -9.028 5.718 3.634 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.285 4.128 3.703 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.904 3.764 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.726 2.486 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.861 1.779 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.643 2.658 6.285 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.798 2.418 4.768 1.00 0.30 H new ATOM 1402 N GLY A 89 -10.930 6.918 4.681 1.00 -0.73 N ATOM 1403 CA GLY A 89 -11.840 7.805 5.383 1.00 0.36 C ATOM 1404 C GLY A 89 -12.725 8.537 4.388 1.00 0.57 C ATOM 1405 O GLY A 89 -13.870 8.141 4.200 1.00 -0.57 O ATOM 0 H GLY A 89 -10.800 7.152 3.697 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -12.456 7.233 6.077 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.275 8.524 5.976 1.00 0.36 H new ATOM 1409 N THR A 90 -12.176 9.579 3.748 1.00 -0.73 N ATOM 1410 CA THR A 90 -12.885 10.437 2.794 1.00 0.36 C ATOM 1411 C THR A 90 -11.885 11.396 2.124 1.00 0.57 C ATOM 1412 O THR A 90 -11.828 11.462 0.900 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.061 11.174 3.502 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.794 12.000 2.622 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -13.656 12.056 4.695 1.00 0.00 C ATOM 0 H THR A 90 -11.203 9.853 3.884 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.332 9.834 2.003 1.00 0.36 H new ATOM 0 HB THR A 90 -14.665 10.344 3.868 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.520 12.438 3.113 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -14.544 12.525 5.119 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.173 11.441 5.454 1.00 0.00 H new ATOM 0 HG23 THR A 90 -12.964 12.828 4.358 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.054 12.088 2.921 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.188 13.168 2.456 1.00 0.36 C ATOM 1425 C GLY A 91 -8.746 12.687 2.372 1.00 0.57 C ATOM 1426 O GLY A 91 -8.410 11.974 1.432 1.00 -0.57 O ATOM 0 H GLY A 91 -10.969 11.905 3.921 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.521 13.515 1.478 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.257 14.017 3.136 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.906 13.044 3.357 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.513 12.578 3.462 1.00 0.36 C ATOM 1432 C LEU A 92 -6.431 11.047 3.614 1.00 0.57 C ATOM 1433 O LEU A 92 -5.443 10.435 3.220 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.827 13.288 4.646 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.325 12.932 4.825 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.408 14.129 4.544 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -4.065 12.398 6.241 1.00 0.00 C ATOM 0 H LEU A 92 -8.178 13.673 4.113 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.993 12.830 2.538 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.919 14.366 4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.359 13.036 5.563 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.092 12.157 4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.369 13.831 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.555 14.467 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.647 14.940 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.008 12.154 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.338 13.158 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.664 11.502 6.408 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.464 10.407 4.172 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.496 8.955 4.280 1.00 0.36 C ATOM 1451 C GLY A 93 -7.239 8.288 2.926 1.00 0.57 C ATOM 1452 O GLY A 93 -7.605 8.841 1.887 1.00 -0.57 O ATOM 0 H GLY A 93 -8.285 10.876 4.554 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.745 8.625 4.998 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.465 8.639 4.665 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.586 7.125 2.950 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.168 6.340 1.796 1.00 0.36 C ATOM 1458 C GLY A 94 -4.904 6.843 1.115 1.00 0.57 C ATOM 1459 O GLY A 94 -4.272 6.056 0.406 1.00 -0.57 O ATOM 0 H GLY A 94 -6.321 6.683 3.830 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.010 5.309 2.112 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.978 6.329 1.067 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.532 8.116 1.297 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.416 8.713 0.564 1.00 0.36 C ATOM 1465 C ASP A 95 -2.104 8.185 1.144 1.00 0.57 C ATOM 1466 O ASP A 95 -2.065 7.660 2.265 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.515 10.256 0.614 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.847 10.736 0.021 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.296 10.155 -0.954 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.558 11.706 0.589 1.00 -0.65 O ATOM 0 H ASP A 95 -4.991 8.752 1.949 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.452 8.432 -0.489 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.427 10.597 1.645 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.686 10.696 0.061 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.029 8.292 0.359 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.232 7.644 0.670 1.00 0.36 C ATOM 1478 C ALA A 96 1.391 8.441 0.093 1.00 0.57 C ATOM 1479 O ALA A 96 1.317 8.936 -1.038 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.215 6.218 0.107 1.00 0.00 C ATOM 0 H ALA A 96 -1.016 8.831 -0.507 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.364 7.598 1.751 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.159 5.725 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.605 5.659 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.079 6.255 -0.974 1.00 0.00 H new ATOM 1486 N HIS A 97 2.476 8.540 0.866 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.642 9.326 0.510 1.00 0.36 C ATOM 1488 C HIS A 97 4.915 8.524 0.729 1.00 0.57 C ATOM 1489 O HIS A 97 4.978 7.669 1.607 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.679 10.653 1.272 1.00 0.17 C ATOM 1491 CG HIS A 97 2.502 11.576 1.055 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.962 12.375 2.041 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.820 11.815 -0.107 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.967 13.092 1.484 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.853 12.758 0.181 1.00 -0.70 N ATOM 0 H HIS A 97 2.562 8.068 1.766 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.573 9.568 -0.551 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.753 10.435 2.337 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.588 11.185 0.992 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.003 11.354 -1.066 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.357 13.819 1.999 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.171 13.136 -0.477 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.933 8.811 -0.085 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.132 7.996 -0.243 1.00 0.36 C ATOM 1506 C PHE A 98 8.310 8.956 -0.401 1.00 0.57 C ATOM 1507 O PHE A 98 8.136 10.033 -0.986 1.00 -0.57 O ATOM 1508 CB PHE A 98 7.027 7.099 -1.499 1.00 0.14 C ATOM 1509 CG PHE A 98 5.797 6.199 -1.644 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.497 6.733 -1.778 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.956 4.799 -1.677 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.374 5.894 -1.819 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.834 3.954 -1.751 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.539 4.501 -1.794 1.00 -0.15 C ATOM 0 H PHE A 98 5.942 9.646 -0.671 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.260 7.345 0.622 1.00 0.36 H new ATOM 0 HB2 PHE A 98 7.071 7.746 -2.375 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.911 6.462 -1.528 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.366 7.803 -1.850 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.947 4.372 -1.645 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.383 6.320 -1.870 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 4.967 2.883 -1.775 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.676 3.852 -1.808 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.495 8.580 0.094 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.671 9.431 -0.054 1.00 0.36 C ATOM 1526 C ASP A 99 11.347 9.132 -1.400 1.00 0.57 C ATOM 1527 O ASP A 99 11.998 8.106 -1.589 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.622 9.302 1.147 1.00 0.06 C ATOM 1529 CG ASP A 99 12.436 10.590 1.356 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.766 11.246 0.382 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.719 10.940 2.607 1.00 -0.65 O ATOM 0 H ASP A 99 9.660 7.705 0.592 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.364 10.477 -0.061 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.047 9.082 2.047 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.299 8.463 0.989 1.00 0.06 H new ATOM 1537 N GLU A 100 11.162 10.021 -2.377 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.789 9.970 -3.694 1.00 0.36 C ATOM 1539 C GLU A 100 13.314 10.157 -3.597 1.00 0.57 C ATOM 1540 O GLU A 100 14.009 9.879 -4.573 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.205 11.079 -4.596 1.00 0.00 C ATOM 1542 CG GLU A 100 11.227 10.724 -6.098 1.00 0.06 C ATOM 1543 CD GLU A 100 11.404 11.939 -7.031 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.056 13.039 -6.636 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.986 11.717 -8.206 1.00 -0.65 O ATOM 0 H GLU A 100 10.547 10.827 -2.266 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.584 8.989 -4.122 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.177 11.280 -4.293 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.769 11.999 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.037 10.018 -6.281 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.297 10.216 -6.354 1.00 0.06 H new ATOM 1553 N ASP A 101 13.851 10.645 -2.460 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.309 10.744 -2.294 1.00 0.36 C ATOM 1555 C ASP A 101 15.927 9.343 -2.172 1.00 0.57 C ATOM 1556 O ASP A 101 17.120 9.154 -2.420 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.682 11.626 -1.083 1.00 0.06 C ATOM 1558 CG ASP A 101 17.146 12.132 -1.087 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.791 12.114 -2.123 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.624 12.660 0.036 1.00 -0.65 O ATOM 0 H ASP A 101 13.307 10.970 -1.660 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.719 11.226 -3.181 1.00 0.36 H new ATOM 0 HB2 ASP A 101 15.013 12.486 -1.056 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.509 11.059 -0.169 1.00 0.06 H new ATOM 1566 N GLU A 102 15.111 8.344 -1.809 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.539 6.963 -1.670 1.00 0.36 C ATOM 1568 C GLU A 102 15.483 6.253 -3.018 1.00 0.57 C ATOM 1569 O GLU A 102 14.789 6.668 -3.946 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.671 6.250 -0.629 1.00 0.00 C ATOM 1571 CG GLU A 102 14.906 6.904 0.738 1.00 0.06 C ATOM 1572 CD GLU A 102 14.076 6.294 1.852 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.577 6.225 2.962 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 12.836 5.912 1.562 1.00 -0.65 O ATOM 0 H GLU A 102 14.122 8.484 -1.603 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.573 6.941 -1.325 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.619 6.318 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.923 5.190 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.962 6.820 0.995 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.678 7.968 0.667 1.00 0.06 H new ATOM 1582 N ARG A 103 16.238 5.157 -3.129 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.277 4.344 -4.336 1.00 0.36 C ATOM 1584 C ARG A 103 15.066 3.416 -4.331 1.00 0.57 C ATOM 1585 O ARG A 103 14.757 2.817 -3.302 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.612 3.572 -4.375 1.00 0.00 C ATOM 1587 CG ARG A 103 18.371 3.792 -5.694 1.00 0.00 C ATOM 1588 CD ARG A 103 19.896 3.734 -5.501 1.00 0.33 C ATOM 1589 NE ARG A 103 20.457 5.092 -5.385 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.732 5.432 -5.163 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.651 4.520 -4.836 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.056 6.720 -5.284 1.00 -0.97 N ATOM 0 H ARG A 103 16.839 4.812 -2.380 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.227 4.957 -5.236 1.00 0.36 H new ATOM 0 HB2 ARG A 103 18.238 3.889 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.418 2.508 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.068 3.034 -6.417 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.096 4.760 -6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 103 20.133 3.159 -4.606 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.355 3.216 -6.343 1.00 0.33 H new ATOM 0 HE ARG A 103 19.796 5.863 -5.486 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 22.387 3.538 -4.750 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 23.617 4.805 -4.672 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 21.343 7.404 -5.537 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 23.017 7.021 -5.123 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.432 3.251 -5.490 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.227 2.457 -5.677 1.00 0.36 C ATOM 1608 C TRP A 104 13.487 1.564 -6.886 1.00 0.57 C ATOM 1609 O TRP A 104 14.161 1.993 -7.817 1.00 -0.57 O ATOM 1610 CB TRP A 104 12.028 3.399 -5.907 1.00 0.18 C ATOM 1611 CG TRP A 104 11.644 4.245 -4.726 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 12.009 5.530 -4.507 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.882 3.854 -3.541 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.548 5.948 -3.274 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.854 4.952 -2.632 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.257 2.662 -3.119 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.252 4.876 -1.369 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.645 2.580 -1.854 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.640 3.676 -0.978 1.00 -0.15 C ATOM 0 H TRP A 104 14.758 3.684 -6.354 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.990 1.846 -4.806 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.258 4.057 -6.745 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.166 2.799 -6.200 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.577 6.139 -5.195 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.703 6.880 -2.889 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.248 1.803 -3.773 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.259 5.729 -0.706 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.171 1.658 -1.553 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.168 3.596 -0.010 1.00 -0.15 H new ATOM 1630 N THR A 105 12.973 0.332 -6.893 1.00 -0.73 N ATOM 1631 CA THR A 105 13.157 -0.592 -8.007 1.00 0.36 C ATOM 1632 C THR A 105 11.854 -1.333 -8.296 1.00 0.57 C ATOM 1633 O THR A 105 11.019 -1.532 -7.414 1.00 -0.57 O ATOM 1634 CB THR A 105 14.354 -1.531 -7.756 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.679 -2.204 -8.953 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.117 -2.593 -6.676 1.00 0.00 C ATOM 0 H THR A 105 12.419 -0.050 -6.126 1.00 -0.73 H new ATOM 0 HA THR A 105 13.405 -0.029 -8.907 1.00 0.36 H new ATOM 0 HB THR A 105 15.159 -0.887 -7.404 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.441 -2.800 -8.797 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.011 -3.207 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.895 -2.104 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.276 -3.224 -6.964 1.00 0.00 H new ATOM 1644 N ASP A 106 11.714 -1.745 -9.555 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.570 -2.420 -10.146 1.00 0.36 C ATOM 1646 C ASP A 106 10.791 -3.944 -10.175 1.00 0.57 C ATOM 1647 O ASP A 106 10.017 -4.663 -10.806 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.326 -1.837 -11.556 1.00 0.06 C ATOM 1649 CG ASP A 106 11.450 -2.126 -12.595 1.00 0.66 C ATOM 1650 OD1 ASP A 106 11.140 -2.199 -13.773 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.705 -2.174 -12.158 1.00 -0.65 O ATOM 0 H ASP A 106 12.458 -1.602 -10.238 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.680 -2.250 -9.541 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.387 -2.236 -11.940 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.202 -0.758 -11.469 1.00 0.06 H new ATOM 1657 N GLY A 107 11.823 -4.442 -9.474 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.287 -5.827 -9.503 1.00 0.36 C ATOM 1659 C GLY A 107 12.725 -6.308 -8.111 1.00 0.57 C ATOM 1660 O GLY A 107 12.019 -6.075 -7.128 1.00 -0.57 O ATOM 0 H GLY A 107 12.377 -3.859 -8.846 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.490 -6.470 -9.876 1.00 0.36 H new ATOM 0 HA3 GLY A 107 13.121 -5.917 -10.199 1.00 0.36 H new ATOM 1664 N SER A 108 13.882 -6.977 -8.020 1.00 -0.73 N ATOM 1665 CA SER A 108 14.460 -7.508 -6.779 1.00 0.36 C ATOM 1666 C SER A 108 15.995 -7.352 -6.841 1.00 0.57 C ATOM 1667 O SER A 108 16.527 -7.003 -7.896 1.00 -0.57 O ATOM 1668 CB SER A 108 13.993 -8.972 -6.601 1.00 0.28 C ATOM 1669 OG SER A 108 14.270 -9.491 -5.309 1.00 -0.68 O ATOM 0 H SER A 108 14.461 -7.170 -8.837 1.00 -0.73 H new ATOM 0 HA SER A 108 14.120 -6.957 -5.902 1.00 0.36 H new ATOM 0 HB2 SER A 108 12.921 -9.030 -6.787 1.00 0.28 H new ATOM 0 HB3 SER A 108 14.481 -9.596 -7.349 1.00 0.28 H new ATOM 0 HG SER A 108 13.947 -10.414 -5.251 1.00 -0.68 H new ATOM 1675 N SER A 109 16.703 -7.617 -5.732 1.00 -0.73 N ATOM 1676 CA SER A 109 18.172 -7.616 -5.646 1.00 0.36 C ATOM 1677 C SER A 109 18.857 -6.332 -6.185 1.00 0.57 C ATOM 1678 O SER A 109 19.855 -6.386 -6.910 1.00 -0.57 O ATOM 1679 CB SER A 109 18.696 -8.906 -6.288 1.00 0.28 C ATOM 1680 OG SER A 109 20.075 -9.044 -6.037 1.00 -0.68 O ATOM 0 H SER A 109 16.256 -7.845 -4.844 1.00 -0.73 H new ATOM 0 HA SER A 109 18.447 -7.597 -4.591 1.00 0.36 H new ATOM 0 HB2 SER A 109 18.158 -9.765 -5.888 1.00 0.28 H new ATOM 0 HB3 SER A 109 18.514 -8.887 -7.362 1.00 0.28 H new ATOM 0 HG SER A 109 20.545 -8.240 -6.341 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.322 -5.143 -5.871 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.832 -3.901 -6.474 1.00 0.36 C ATOM 1688 C LEU A 110 18.586 -2.661 -5.617 1.00 0.57 C ATOM 1689 O LEU A 110 19.444 -1.784 -5.546 1.00 -0.57 O ATOM 1690 CB LEU A 110 18.182 -3.729 -7.866 1.00 0.00 C ATOM 1691 CG LEU A 110 19.170 -3.282 -8.962 1.00 0.00 C ATOM 1692 CD1 LEU A 110 18.700 -3.805 -10.325 1.00 0.00 C ATOM 1693 CD2 LEU A 110 19.318 -1.756 -9.025 1.00 0.00 C ATOM 0 H LEU A 110 17.551 -5.014 -5.216 1.00 -0.73 H new ATOM 0 HA LEU A 110 19.915 -3.994 -6.556 1.00 0.36 H new ATOM 0 HB2 LEU A 110 17.727 -4.674 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 110 17.378 -2.996 -7.794 1.00 0.00 H new ATOM 0 HG LEU A 110 20.145 -3.699 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.400 -3.488 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.655 -4.894 -10.301 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.710 -3.406 -10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 110 20.024 -1.491 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 110 18.349 -1.305 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.686 -1.386 -8.068 1.00 0.00 H new ATOM 1705 N GLY A 111 17.422 -2.590 -4.972 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.946 -1.431 -4.241 1.00 0.36 C ATOM 1707 C GLY A 111 15.659 -1.809 -3.515 1.00 0.57 C ATOM 1708 O GLY A 111 15.444 -2.986 -3.214 1.00 -0.57 O ATOM 0 H GLY A 111 16.765 -3.370 -4.947 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.699 -1.098 -3.527 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.765 -0.601 -4.924 1.00 0.36 H new ATOM 1712 N ILE A 112 14.813 -0.820 -3.229 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.563 -1.008 -2.497 1.00 0.36 C ATOM 1714 C ILE A 112 12.471 -1.380 -3.500 1.00 0.57 C ATOM 1715 O ILE A 112 12.190 -0.597 -4.409 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.242 0.301 -1.746 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.390 0.719 -0.790 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.902 0.236 -1.000 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.899 -0.378 0.161 1.00 0.00 C ATOM 0 H ILE A 112 14.980 0.148 -3.504 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.636 -1.811 -1.763 1.00 0.36 H new ATOM 0 HB ILE A 112 13.149 1.073 -2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.229 1.071 -1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.050 1.564 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.724 1.182 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.098 0.052 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.931 -0.572 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.700 0.022 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.081 -0.717 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.278 -1.218 -0.422 1.00 0.00 H new ATOM 1731 N ASN A 113 11.864 -2.563 -3.345 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.812 -3.039 -4.239 1.00 0.36 C ATOM 1733 C ASN A 113 9.592 -2.116 -4.138 1.00 0.57 C ATOM 1734 O ASN A 113 8.816 -2.197 -3.180 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.463 -4.504 -3.927 1.00 0.06 C ATOM 1736 CG ASN A 113 9.497 -5.119 -4.938 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.793 -4.424 -5.661 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.413 -6.441 -4.985 1.00 -0.80 N ATOM 0 H ASN A 113 12.092 -3.215 -2.594 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.166 -3.010 -5.270 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.380 -5.093 -3.905 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.023 -4.562 -2.931 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.758 -6.888 -5.627 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 10.003 -7.011 -4.379 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.422 -1.257 -5.152 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.308 -0.330 -5.279 1.00 0.36 C ATOM 1747 C PHE A 114 6.981 -1.073 -5.211 1.00 0.57 C ATOM 1748 O PHE A 114 6.026 -0.547 -4.645 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.412 0.446 -6.608 1.00 0.14 C ATOM 1750 CG PHE A 114 7.208 1.341 -6.861 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.046 0.813 -7.464 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.203 2.665 -6.385 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 4.868 1.576 -7.524 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.028 3.433 -6.457 1.00 -0.15 C ATOM 1755 CZ PHE A 114 4.854 2.879 -6.997 1.00 -0.15 C ATOM 0 H PHE A 114 10.082 -1.192 -5.927 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.352 0.377 -4.450 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.316 1.054 -6.599 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.512 -0.262 -7.431 1.00 0.14 H new ATOM 0 HD1 PHE A 114 6.063 -0.183 -7.881 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.102 3.091 -5.964 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 3.977 1.163 -7.973 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 6.027 4.451 -6.097 1.00 -0.15 H new ATOM 0 HZ PHE A 114 3.941 3.455 -7.007 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.903 -2.287 -5.772 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.669 -3.049 -5.760 1.00 0.36 C ATOM 1767 C LEU A 115 5.329 -3.412 -4.321 1.00 0.57 C ATOM 1768 O LEU A 115 4.197 -3.211 -3.898 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.804 -4.310 -6.641 1.00 0.00 C ATOM 1770 CG LEU A 115 4.454 -4.888 -7.106 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.766 -3.916 -8.055 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.666 -6.209 -7.858 1.00 0.00 C ATOM 0 H LEU A 115 7.683 -2.753 -6.236 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.859 -2.449 -6.175 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.406 -4.068 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.344 -5.075 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 115 3.840 -5.055 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.813 -4.335 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.592 -2.970 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.400 -3.746 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.702 -6.603 -8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.296 -6.034 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.151 -6.929 -7.199 1.00 0.00 H new ATOM 1784 N TYR A 116 6.305 -3.939 -3.566 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.082 -4.397 -2.193 1.00 0.36 C ATOM 1786 C TYR A 116 5.682 -3.192 -1.336 1.00 0.57 C ATOM 1787 O TYR A 116 4.752 -3.297 -0.536 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.327 -5.151 -1.674 1.00 0.14 C ATOM 1789 CG TYR A 116 7.097 -6.329 -0.732 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.402 -7.459 -1.203 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.704 -6.386 0.543 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.344 -8.644 -0.452 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.643 -7.570 1.309 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.980 -8.714 0.805 1.00 0.08 C ATOM 1795 OH TYR A 116 6.971 -9.880 1.515 1.00 -0.53 O ATOM 0 H TYR A 116 7.265 -4.058 -3.891 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.264 -5.115 -2.143 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.884 -5.515 -2.538 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.967 -4.432 -1.163 1.00 0.14 H new ATOM 0 HD1 TYR A 116 5.904 -7.414 -2.160 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 8.217 -5.519 0.933 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 5.812 -9.502 -0.837 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 8.105 -7.603 2.285 1.00 -0.15 H new ATOM 0 HH TYR A 116 7.455 -9.754 2.358 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.314 -2.033 -1.576 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.955 -0.773 -0.940 1.00 0.36 C ATOM 1807 C ALA A 117 4.521 -0.384 -1.271 1.00 0.57 C ATOM 1808 O ALA A 117 3.716 -0.218 -0.359 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.931 0.322 -1.379 1.00 0.00 C ATOM 0 H ALA A 117 7.096 -1.952 -2.226 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.022 -0.894 0.141 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.660 1.264 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.944 0.045 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.885 0.438 -2.462 1.00 0.00 H new ATOM 1815 N ALA A 118 4.192 -0.280 -2.563 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.870 0.112 -3.016 1.00 0.36 C ATOM 1817 C ALA A 118 1.823 -0.820 -2.415 1.00 0.57 C ATOM 1818 O ALA A 118 0.915 -0.342 -1.754 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.816 0.121 -4.548 1.00 0.00 C ATOM 0 H ALA A 118 4.846 -0.469 -3.322 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.651 1.125 -2.677 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.819 0.417 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.549 0.829 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.041 -0.876 -4.926 1.00 0.00 H new ATOM 1825 N THR A 119 1.963 -2.138 -2.565 1.00 -0.73 N ATOM 1826 CA THR A 119 1.004 -3.111 -2.050 1.00 0.36 C ATOM 1827 C THR A 119 0.836 -2.993 -0.533 1.00 0.57 C ATOM 1828 O THR A 119 -0.299 -2.996 -0.052 1.00 -0.57 O ATOM 1829 CB THR A 119 1.480 -4.506 -2.472 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.545 -4.519 -3.876 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.557 -5.649 -2.050 1.00 0.00 C ATOM 0 H THR A 119 2.753 -2.562 -3.052 1.00 -0.73 H new ATOM 0 HA THR A 119 0.016 -2.919 -2.468 1.00 0.36 H new ATOM 0 HB THR A 119 2.437 -4.675 -1.978 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.413 -4.170 -4.167 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.973 -6.597 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.467 -5.662 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.428 -5.504 -2.494 1.00 0.00 H new ATOM 1839 N HIS A 120 1.939 -2.850 0.211 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.903 -2.635 1.651 1.00 0.36 C ATOM 1841 C HIS A 120 1.082 -1.374 1.967 1.00 0.57 C ATOM 1842 O HIS A 120 0.175 -1.412 2.797 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.366 -2.571 2.140 1.00 0.17 C ATOM 1844 CG HIS A 120 3.583 -2.349 3.613 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.477 -3.030 4.419 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.957 -1.421 4.393 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.372 -2.521 5.665 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.434 -1.556 5.668 1.00 -0.70 N ATOM 0 H HIS A 120 2.882 -2.881 -0.176 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.405 -3.447 2.181 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.858 -3.503 1.861 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.870 -1.770 1.598 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.102 -3.781 4.125 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.217 -0.707 4.063 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.948 -2.837 6.522 1.00 0.65 H new ATOM 1857 N GLU A 121 1.407 -0.251 1.324 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.802 1.055 1.582 1.00 0.36 C ATOM 1859 C GLU A 121 -0.687 1.039 1.205 1.00 0.57 C ATOM 1860 O GLU A 121 -1.544 1.404 2.012 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.580 2.100 0.765 1.00 0.00 C ATOM 1862 CG GLU A 121 3.048 2.255 1.214 1.00 0.06 C ATOM 1863 CD GLU A 121 3.262 3.395 2.198 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.571 3.103 3.342 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.125 4.633 1.730 1.00 -0.65 O ATOM 0 H GLU A 121 2.116 -0.225 0.591 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.857 1.304 2.642 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.557 1.819 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.078 3.064 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.381 1.323 1.671 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.673 2.420 0.336 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.992 0.538 0.004 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.332 0.407 -0.558 1.00 0.36 C ATOM 1875 C LEU A 122 -3.210 -0.505 0.294 1.00 0.57 C ATOM 1876 O LEU A 122 -4.424 -0.308 0.337 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.233 -0.167 -1.982 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.624 0.800 -3.018 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.240 0.017 -4.278 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.588 1.938 -3.358 1.00 0.00 C ATOM 0 H LEU A 122 -0.271 0.197 -0.632 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.789 1.396 -0.578 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.631 -1.075 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.230 -0.455 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.731 1.254 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.809 0.698 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.509 -0.750 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.128 -0.455 -4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.126 2.600 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.508 1.524 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.818 2.502 -2.454 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.619 -1.477 0.992 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.351 -2.297 1.934 1.00 0.36 C ATOM 1894 C GLY A 123 -3.925 -1.469 3.072 1.00 0.57 C ATOM 1895 O GLY A 123 -5.111 -1.593 3.396 1.00 -0.57 O ATOM 0 H GLY A 123 -1.629 -1.709 0.915 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.159 -2.813 1.416 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.691 -3.064 2.339 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.119 -0.566 3.639 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.640 0.384 4.606 1.00 0.36 C ATOM 1901 C HIS A 124 -4.687 1.274 3.947 1.00 0.57 C ATOM 1902 O HIS A 124 -5.732 1.462 4.563 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.525 1.187 5.276 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.540 0.289 5.976 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.828 -0.646 6.949 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.209 0.183 5.687 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.684 -1.295 7.230 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.337 -0.817 6.499 1.00 -0.70 N ATOM 0 H HIS A 124 -2.121 -0.479 3.445 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.128 -0.169 5.408 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.005 1.784 4.527 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.958 1.883 5.994 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.329 0.770 4.957 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.597 -2.096 7.949 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.310 -1.121 6.530 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.495 1.715 2.696 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.520 2.474 1.982 1.00 0.36 C ATOM 1919 C SER A 125 -6.840 1.707 1.792 1.00 0.57 C ATOM 1920 O SER A 125 -7.893 2.341 1.739 1.00 -0.57 O ATOM 1921 CB SER A 125 -5.002 2.962 0.626 1.00 0.28 C ATOM 1922 OG SER A 125 -3.759 3.618 0.758 1.00 -0.68 O ATOM 0 H SER A 125 -3.640 1.557 2.162 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.742 3.330 2.619 1.00 0.36 H new ATOM 0 HB2 SER A 125 -4.899 2.115 -0.052 1.00 0.28 H new ATOM 0 HB3 SER A 125 -5.728 3.641 0.180 1.00 0.28 H new ATOM 0 HG SER A 125 -3.909 4.564 0.966 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.822 0.371 1.706 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.039 -0.445 1.693 1.00 0.36 C ATOM 1930 C LEU A 126 -8.688 -0.566 3.083 1.00 0.57 C ATOM 1931 O LEU A 126 -9.895 -0.809 3.160 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.750 -1.862 1.141 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.224 -2.143 -0.299 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.680 -1.732 -0.551 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.293 -1.511 -1.337 1.00 0.00 C ATOM 0 H LEU A 126 -5.962 -0.173 1.643 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.741 0.071 1.038 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.675 -2.035 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.218 -2.590 1.804 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.182 -3.226 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.948 -1.957 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.336 -2.283 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.792 -0.663 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.662 -1.732 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.265 -0.431 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.289 -1.919 -1.222 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.911 -0.418 4.165 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.386 -0.471 5.548 1.00 0.36 C ATOM 1949 C GLY A 127 -7.529 -1.330 6.481 1.00 0.57 C ATOM 1950 O GLY A 127 -7.858 -1.429 7.670 1.00 -0.57 O ATOM 0 H GLY A 127 -6.907 -0.254 4.096 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.426 0.544 5.944 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.406 -0.857 5.554 1.00 0.36 H new ATOM 1954 N MET A 128 -6.467 -1.974 5.977 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.770 -3.024 6.715 1.00 0.36 C ATOM 1956 C MET A 128 -5.013 -2.513 7.944 1.00 0.57 C ATOM 1957 O MET A 128 -4.763 -1.316 8.117 1.00 -0.57 O ATOM 1958 CB MET A 128 -4.836 -3.829 5.791 1.00 0.00 C ATOM 1959 CG MET A 128 -5.013 -5.336 6.014 1.00 0.23 C ATOM 1960 SD MET A 128 -6.218 -6.116 4.919 1.00 -0.46 S ATOM 1961 CE MET A 128 -7.708 -5.141 5.198 1.00 0.23 C ATOM 0 H MET A 128 -6.074 -1.781 5.056 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.549 -3.686 7.093 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.048 -3.584 4.750 1.00 0.00 H new ATOM 0 HB3 MET A 128 -3.800 -3.548 5.980 1.00 0.00 H new ATOM 0 HG2 MET A 128 -4.049 -5.826 5.881 1.00 0.23 H new ATOM 0 HG3 MET A 128 -5.317 -5.505 7.047 1.00 0.23 H new ATOM 0 HE1 MET A 128 -8.539 -5.581 4.647 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.943 -5.132 6.262 1.00 0.23 H new ATOM 0 HE3 MET A 128 -7.544 -4.120 4.854 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.638 -3.454 8.811 1.00 -0.73 N ATOM 1972 CA GLY A 129 -3.775 -3.239 9.960 1.00 0.36 C ATOM 1973 C GLY A 129 -2.474 -4.020 9.782 1.00 0.57 C ATOM 1974 O GLY A 129 -2.366 -4.861 8.888 1.00 -0.57 O ATOM 0 H GLY A 129 -4.942 -4.424 8.723 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -3.560 -2.176 10.071 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.280 -3.559 10.871 1.00 0.36 H new ATOM 1978 N HIS A 130 -1.482 -3.698 10.617 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.207 -4.408 10.668 1.00 0.36 C ATOM 1980 C HIS A 130 -0.350 -5.840 11.214 1.00 0.57 C ATOM 1981 O HIS A 130 -1.419 -6.275 11.642 1.00 -0.57 O ATOM 1982 CB HIS A 130 0.800 -3.577 11.487 1.00 0.17 C ATOM 1983 CG HIS A 130 1.320 -2.363 10.758 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.534 -1.112 11.298 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.771 -2.326 9.465 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.086 -0.345 10.344 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.232 -1.036 9.207 1.00 -0.70 N ATOM 0 H HIS A 130 -1.545 -2.928 11.283 1.00 -0.73 H new ATOM 0 HA HIS A 130 0.167 -4.522 9.650 1.00 0.36 H new ATOM 0 HB2 HIS A 130 0.324 -3.257 12.414 1.00 0.17 H new ATOM 0 HB3 HIS A 130 1.642 -4.212 11.763 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.770 -3.151 8.768 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.373 0.688 10.476 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.607 -0.687 8.325 1.00 -0.70 H new ATOM 1996 N SER A 131 0.759 -6.582 11.176 1.00 -0.73 N ATOM 1997 CA SER A 131 0.865 -7.972 11.588 1.00 0.36 C ATOM 1998 C SER A 131 2.297 -8.228 12.075 1.00 0.57 C ATOM 1999 O SER A 131 3.145 -7.333 12.044 1.00 -0.57 O ATOM 2000 CB SER A 131 0.515 -8.873 10.389 1.00 0.28 C ATOM 2001 OG SER A 131 -0.692 -9.577 10.615 1.00 -0.68 O ATOM 0 H SER A 131 1.646 -6.207 10.840 1.00 -0.73 H new ATOM 0 HA SER A 131 0.174 -8.195 12.401 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.422 -8.266 9.489 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.325 -9.581 10.214 1.00 0.28 H new ATOM 0 HG SER A 131 -0.605 -10.493 10.277 1.00 -0.68 H new ATOM 2007 N SER A 132 2.558 -9.465 12.494 1.00 -0.73 N ATOM 2008 CA SER A 132 3.804 -9.947 13.057 1.00 0.36 C ATOM 2009 C SER A 132 4.144 -11.270 12.360 1.00 0.57 C ATOM 2010 O SER A 132 4.034 -12.346 12.951 1.00 -0.57 O ATOM 2011 CB SER A 132 3.628 -10.086 14.577 1.00 0.28 C ATOM 2012 OG SER A 132 4.216 -9.001 15.266 1.00 -0.68 O ATOM 0 H SER A 132 1.853 -10.201 12.443 1.00 -0.73 H new ATOM 0 HA SER A 132 4.635 -9.261 12.895 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.566 -10.140 14.818 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.079 -11.020 14.913 1.00 0.28 H new ATOM 0 HG SER A 132 4.086 -9.117 16.230 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.541 -11.194 11.084 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.978 -12.347 10.294 1.00 0.36 C ATOM 2020 C ASP A 133 6.227 -11.927 9.509 1.00 0.57 C ATOM 2021 O ASP A 133 6.264 -10.793 9.024 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.861 -12.806 9.342 1.00 0.06 C ATOM 2023 CG ASP A 133 4.106 -14.221 8.810 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.946 -15.154 9.579 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 4.539 -14.341 7.558 1.00 -0.65 O ATOM 0 H ASP A 133 4.567 -10.316 10.565 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.210 -13.189 10.947 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.905 -12.775 9.864 1.00 0.06 H new ATOM 0 HB3 ASP A 133 3.790 -12.111 8.505 1.00 0.06 H new ATOM 2031 N PRO A 134 7.252 -12.788 9.365 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.475 -12.437 8.651 1.00 0.36 C ATOM 2033 C PRO A 134 8.236 -12.238 7.150 1.00 0.57 C ATOM 2034 O PRO A 134 8.965 -11.474 6.514 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.454 -13.584 8.905 1.00 0.00 C ATOM 2036 CG PRO A 134 8.604 -14.764 9.364 1.00 0.00 C ATOM 2037 CD PRO A 134 7.309 -14.149 9.877 1.00 0.30 C ATOM 0 HA PRO A 134 8.867 -11.485 9.009 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.010 -13.831 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.187 -13.311 9.665 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.413 -15.455 8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 134 9.108 -15.331 10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.448 -14.725 9.538 1.00 0.30 H new ATOM 0 HD3 PRO A 134 7.286 -14.152 10.967 1.00 0.30 H new ATOM 2045 N ASN A 135 7.203 -12.890 6.597 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.799 -12.785 5.197 1.00 0.36 C ATOM 2047 C ASN A 135 5.452 -12.059 5.093 1.00 0.57 C ATOM 2048 O ASN A 135 4.743 -12.221 4.100 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.783 -14.182 4.542 1.00 0.06 C ATOM 2050 CG ASN A 135 8.180 -14.718 4.242 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.104 -13.968 3.950 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.366 -16.030 4.291 1.00 -0.80 N ATOM 0 H ASN A 135 6.610 -13.524 7.133 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.524 -12.188 4.645 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.266 -14.880 5.201 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.211 -14.136 3.615 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.284 -16.423 4.085 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.591 -16.646 4.535 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.089 -11.252 6.103 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.989 -10.315 5.955 1.00 0.36 C ATOM 2061 C ALA A 136 4.375 -9.288 4.893 1.00 0.57 C ATOM 2062 O ALA A 136 5.375 -8.587 5.032 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.642 -9.626 7.287 1.00 0.00 C ATOM 0 H ALA A 136 5.542 -11.237 7.017 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.095 -10.856 5.645 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.815 -8.933 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.354 -10.378 8.021 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.511 -9.078 7.651 1.00 0.00 H new ATOM 2069 N VAL A 137 3.551 -9.141 3.863 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.643 -8.014 2.938 1.00 0.36 C ATOM 2071 C VAL A 137 3.453 -6.686 3.707 1.00 0.57 C ATOM 2072 O VAL A 137 4.113 -5.693 3.388 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.679 -8.265 1.759 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.243 -8.575 2.197 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.656 -7.131 0.727 1.00 0.00 C ATOM 0 H VAL A 137 2.801 -9.797 3.644 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.633 -7.922 2.490 1.00 0.36 H new ATOM 0 HB VAL A 137 3.094 -9.153 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.622 -8.740 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.237 -9.471 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.847 -7.735 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.956 -7.379 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.342 -6.206 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.653 -7.001 0.307 1.00 0.00 H new ATOM 2085 N MET A 138 2.660 -6.687 4.792 1.00 -0.73 N ATOM 2086 CA MET A 138 2.546 -5.552 5.710 1.00 0.36 C ATOM 2087 C MET A 138 3.645 -5.514 6.803 1.00 0.57 C ATOM 2088 O MET A 138 3.551 -4.679 7.703 1.00 -0.57 O ATOM 2089 CB MET A 138 1.123 -5.464 6.305 1.00 0.00 C ATOM 2090 CG MET A 138 0.285 -4.387 5.600 1.00 0.23 C ATOM 2091 SD MET A 138 -0.429 -4.849 3.998 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.605 -6.093 4.584 1.00 0.23 C ATOM 0 H MET A 138 2.078 -7.483 5.054 1.00 -0.73 H new ATOM 0 HA MET A 138 2.719 -4.657 5.112 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.628 -6.431 6.212 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.186 -5.239 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.527 -4.095 6.266 1.00 0.23 H new ATOM 0 HG3 MET A 138 0.911 -3.506 5.455 1.00 0.23 H new ATOM 0 HE1 MET A 138 -2.563 -5.953 4.083 1.00 0.23 H new ATOM 0 HE2 MET A 138 -1.222 -7.089 4.362 1.00 0.23 H new ATOM 0 HE3 MET A 138 -1.740 -5.988 5.660 1.00 0.23 H new ATOM 2102 N TYR A 139 4.688 -6.361 6.756 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.775 -6.360 7.746 1.00 0.36 C ATOM 2104 C TYR A 139 6.438 -4.972 7.820 1.00 0.57 C ATOM 2105 O TYR A 139 6.767 -4.411 6.768 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.828 -7.426 7.385 1.00 0.14 C ATOM 2107 CG TYR A 139 8.005 -7.558 8.335 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.804 -7.971 9.666 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.312 -7.303 7.876 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.892 -8.071 10.551 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.410 -7.420 8.746 1.00 -0.15 C ATOM 2112 CZ TYR A 139 10.201 -7.786 10.097 1.00 0.08 C ATOM 2113 OH TYR A 139 11.250 -7.862 10.965 1.00 -0.53 O ATOM 0 H TYR A 139 4.800 -7.067 6.028 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.350 -6.597 8.721 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.329 -8.393 7.323 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.214 -7.202 6.391 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.809 -8.212 10.009 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.472 -7.015 6.847 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 8.728 -8.365 11.577 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.410 -7.231 8.384 1.00 -0.15 H new ATOM 0 HH TYR A 139 12.080 -7.637 10.495 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.632 -4.389 9.019 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.451 -3.196 9.178 1.00 0.36 C ATOM 2125 C PRO A 140 8.942 -3.566 9.148 1.00 0.57 C ATOM 2126 O PRO A 140 9.311 -4.640 9.616 1.00 -0.57 O ATOM 2127 CB PRO A 140 7.033 -2.609 10.529 1.00 0.00 C ATOM 2128 CG PRO A 140 6.621 -3.833 11.349 1.00 0.00 C ATOM 2129 CD PRO A 140 6.084 -4.811 10.302 1.00 0.30 C ATOM 0 HA PRO A 140 7.307 -2.474 8.374 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.854 -2.069 11.001 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.208 -1.904 10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.467 -4.254 11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.861 -3.582 12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.385 -5.832 10.535 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.994 -4.797 10.281 1.00 0.30 H new ATOM 2137 N THR A 141 9.790 -2.641 8.671 1.00 -0.73 N ATOM 2138 CA THR A 141 11.237 -2.809 8.460 1.00 0.36 C ATOM 2139 C THR A 141 11.532 -3.709 7.237 1.00 0.57 C ATOM 2140 O THR A 141 10.695 -4.508 6.820 1.00 -0.57 O ATOM 2141 CB THR A 141 11.940 -3.215 9.782 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.731 -2.192 10.749 1.00 -0.68 O ATOM 2143 CG2 THR A 141 13.447 -3.481 9.647 1.00 0.00 C ATOM 0 H THR A 141 9.469 -1.709 8.409 1.00 -0.73 H new ATOM 0 HA THR A 141 11.682 -1.851 8.191 1.00 0.36 H new ATOM 0 HB THR A 141 11.493 -4.161 10.087 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.171 -2.441 11.589 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.856 -3.758 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.611 -4.293 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.945 -2.580 9.288 1.00 0.00 H new ATOM 2151 N TYR A 142 12.727 -3.571 6.634 1.00 -0.73 N ATOM 2152 CA TYR A 142 13.171 -4.372 5.492 1.00 0.36 C ATOM 2153 C TYR A 142 14.284 -5.324 5.936 1.00 0.57 C ATOM 2154 O TYR A 142 15.246 -4.894 6.580 1.00 -0.57 O ATOM 2155 CB TYR A 142 13.676 -3.466 4.347 1.00 0.14 C ATOM 2156 CG TYR A 142 13.106 -3.793 2.976 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 13.237 -5.080 2.416 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.442 -2.786 2.249 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 12.681 -5.370 1.155 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 11.889 -3.068 0.990 1.00 -0.15 C ATOM 2161 CZ TYR A 142 12.004 -4.355 0.439 1.00 0.08 C ATOM 2162 OH TYR A 142 11.454 -4.593 -0.781 1.00 -0.53 O ATOM 0 H TYR A 142 13.419 -2.886 6.937 1.00 -0.73 H new ATOM 0 HA TYR A 142 12.324 -4.949 5.121 1.00 0.36 H new ATOM 0 HB2 TYR A 142 13.434 -2.431 4.588 1.00 0.14 H new ATOM 0 HB3 TYR A 142 14.763 -3.536 4.299 1.00 0.14 H new ATOM 0 HD1 TYR A 142 13.767 -5.849 2.958 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 12.358 -1.792 2.662 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 12.771 -6.362 0.737 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 11.373 -2.293 0.443 1.00 -0.15 H new ATOM 0 HH TYR A 142 10.836 -3.867 -1.008 1.00 -0.53 H new ATOM 2172 N GLY A 143 14.169 -6.601 5.548 1.00 -0.73 N ATOM 2173 CA GLY A 143 15.208 -7.608 5.707 1.00 0.36 C ATOM 2174 C GLY A 143 14.596 -8.953 6.084 1.00 0.57 C ATOM 2175 O GLY A 143 14.320 -9.172 7.268 1.00 -0.57 O ATOM 0 H GLY A 143 13.326 -6.964 5.104 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 15.772 -7.706 4.780 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.912 -7.294 6.477 1.00 0.36 H new ATOM 2179 N ASN A 144 14.385 -9.858 5.116 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.964 -11.232 5.418 1.00 0.36 C ATOM 2181 C ASN A 144 14.235 -12.217 4.277 1.00 0.57 C ATOM 2182 O ASN A 144 14.721 -13.321 4.517 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.467 -11.269 5.781 1.00 0.06 C ATOM 2184 CG ASN A 144 12.308 -11.998 7.107 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.163 -13.211 7.146 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.448 -11.273 8.213 1.00 -0.80 N ATOM 0 H ASN A 144 14.499 -9.663 4.121 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.568 -11.551 6.268 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.071 -10.256 5.856 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.901 -11.776 5.000 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.436 -11.728 9.126 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.567 -10.262 8.148 1.00 -0.80 H new ATOM 2193 N GLY A 145 13.945 -11.812 3.041 1.00 -0.73 N ATOM 2194 CA GLY A 145 14.051 -12.638 1.851 1.00 0.36 C ATOM 2195 C GLY A 145 13.599 -11.823 0.643 1.00 0.57 C ATOM 2196 O GLY A 145 13.282 -10.641 0.784 1.00 -0.57 O ATOM 0 H GLY A 145 13.619 -10.867 2.840 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 15.079 -12.974 1.716 1.00 0.36 H new ATOM 0 HA3 GLY A 145 13.435 -13.531 1.956 1.00 0.36 H new ATOM 2200 N ASP A 146 13.583 -12.464 -0.529 1.00 -0.73 N ATOM 2201 CA ASP A 146 13.215 -11.874 -1.818 1.00 0.36 C ATOM 2202 C ASP A 146 11.856 -11.162 -1.729 1.00 0.57 C ATOM 2203 O ASP A 146 10.830 -11.838 -1.589 1.00 -0.57 O ATOM 2204 CB ASP A 146 13.198 -12.997 -2.870 1.00 0.06 C ATOM 2205 CG ASP A 146 12.622 -12.586 -4.236 1.00 0.66 C ATOM 2206 OD1 ASP A 146 12.862 -11.461 -4.642 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 11.909 -13.510 -4.874 1.00 -0.65 O ATOM 0 H ASP A 146 13.837 -13.449 -0.608 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.944 -11.117 -2.106 1.00 0.36 H new ATOM 0 HB2 ASP A 146 14.216 -13.358 -3.014 1.00 0.06 H new ATOM 0 HB3 ASP A 146 12.616 -13.832 -2.481 1.00 0.06 H new ATOM 2213 N PRO A 147 11.791 -9.819 -1.825 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.531 -9.093 -1.725 1.00 0.36 C ATOM 2215 C PRO A 147 9.617 -9.343 -2.933 1.00 0.57 C ATOM 2216 O PRO A 147 8.488 -8.857 -2.940 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.914 -7.622 -1.559 1.00 0.00 C ATOM 2218 CG PRO A 147 12.279 -7.518 -2.243 1.00 0.00 C ATOM 2219 CD PRO A 147 12.901 -8.897 -2.022 1.00 0.30 C ATOM 0 HA PRO A 147 9.940 -9.435 -0.876 1.00 0.36 H new ATOM 0 HB2 PRO A 147 10.182 -6.963 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.971 -7.340 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.179 -7.289 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 147 12.888 -6.729 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.505 -9.193 -2.880 1.00 0.30 H new ATOM 0 HD3 PRO A 147 13.561 -8.892 -1.154 1.00 0.30 H new ATOM 2227 N GLN A 148 10.056 -10.094 -3.955 1.00 -0.73 N ATOM 2228 CA GLN A 148 9.149 -10.563 -4.995 1.00 0.36 C ATOM 2229 C GLN A 148 8.223 -11.705 -4.516 1.00 0.57 C ATOM 2230 O GLN A 148 7.272 -12.034 -5.233 1.00 -0.57 O ATOM 2231 CB GLN A 148 9.936 -10.969 -6.254 1.00 0.00 C ATOM 2232 CG GLN A 148 9.126 -10.599 -7.508 1.00 0.06 C ATOM 2233 CD GLN A 148 9.552 -11.315 -8.788 1.00 0.57 C ATOM 2234 OE1 GLN A 148 10.149 -12.383 -8.795 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 9.146 -10.793 -9.936 1.00 -0.80 N ATOM 0 H GLN A 148 11.026 -10.384 -4.077 1.00 -0.73 H new ATOM 0 HA GLN A 148 8.494 -9.729 -5.247 1.00 0.36 H new ATOM 0 HB2 GLN A 148 10.902 -10.464 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.136 -12.040 -6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 148 8.075 -10.818 -7.320 1.00 0.06 H new ATOM 0 HG3 GLN A 148 9.204 -9.524 -7.668 1.00 0.06 H new ATOM 0 HE21 GLN A 148 8.647 -9.903 -9.944 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 9.332 -11.281 -10.812 1.00 -0.80 H new ATOM 2244 N ASN A 149 8.449 -12.292 -3.323 1.00 -0.73 N ATOM 2245 CA ASN A 149 7.679 -13.441 -2.816 1.00 0.36 C ATOM 2246 C ASN A 149 6.175 -13.190 -2.587 1.00 0.57 C ATOM 2247 O ASN A 149 5.469 -14.155 -2.319 1.00 -0.57 O ATOM 2248 CB ASN A 149 8.325 -14.055 -1.555 1.00 0.06 C ATOM 2249 CG ASN A 149 7.969 -13.332 -0.253 1.00 0.57 C ATOM 2250 OD1 ASN A 149 7.043 -13.708 0.454 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 8.700 -12.284 0.089 1.00 -0.80 N ATOM 0 H ASN A 149 9.177 -11.978 -2.681 1.00 -0.73 H new ATOM 0 HA ASN A 149 7.724 -14.159 -3.634 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.018 -15.098 -1.474 1.00 0.06 H new ATOM 0 HB3 ASN A 149 9.408 -14.050 -1.676 1.00 0.06 H new ATOM 0 HD21 ASN A 149 8.495 -11.779 0.951 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 9.469 -11.981 -0.509 1.00 -0.80 H new ATOM 2258 N PHE A 150 5.693 -11.944 -2.726 1.00 -0.73 N ATOM 2259 CA PHE A 150 4.297 -11.474 -2.698 1.00 0.36 C ATOM 2260 C PHE A 150 3.269 -12.398 -2.035 1.00 0.57 C ATOM 2261 O PHE A 150 2.990 -12.219 -0.853 1.00 -0.57 O ATOM 2262 CB PHE A 150 3.865 -11.065 -4.119 1.00 0.14 C ATOM 2263 CG PHE A 150 4.122 -9.606 -4.338 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.401 -9.148 -4.700 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 3.099 -8.698 -4.025 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.668 -7.774 -4.732 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.369 -7.330 -4.071 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.645 -6.875 -4.409 1.00 -0.15 C ATOM 0 H PHE A 150 6.333 -11.164 -2.875 1.00 -0.73 H new ATOM 0 HA PHE A 150 4.302 -10.613 -2.030 1.00 0.36 H new ATOM 0 HB2 PHE A 150 4.412 -11.653 -4.856 1.00 0.14 H new ATOM 0 HB3 PHE A 150 2.806 -11.281 -4.261 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.177 -9.855 -4.953 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 2.116 -9.053 -3.752 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.649 -7.413 -5.002 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.588 -6.620 -3.844 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.846 -5.814 -4.421 1.00 -0.15 H new ATOM 2278 N LYS A 151 2.695 -13.310 -2.835 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.799 -14.416 -2.498 1.00 0.36 C ATOM 2280 C LYS A 151 1.108 -14.231 -1.140 1.00 0.57 C ATOM 2281 O LYS A 151 1.496 -14.886 -0.175 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.595 -15.738 -2.595 1.00 0.00 C ATOM 2283 CG LYS A 151 3.347 -15.929 -3.929 1.00 0.00 C ATOM 2284 CD LYS A 151 2.461 -16.176 -5.160 1.00 0.00 C ATOM 2285 CE LYS A 151 2.339 -17.683 -5.425 1.00 0.50 C ATOM 2286 NZ LYS A 151 2.270 -17.993 -6.867 1.00 -0.85 N ATOM 0 H LYS A 151 2.869 -13.283 -3.840 1.00 -0.73 H new ATOM 0 HA LYS A 151 0.978 -14.442 -3.215 1.00 0.36 H new ATOM 0 HB2 LYS A 151 3.314 -15.776 -1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 151 1.909 -16.573 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.955 -15.043 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 151 4.032 -16.770 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 151 1.473 -15.745 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 151 2.888 -15.679 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.193 -18.198 -4.985 1.00 0.50 H new ATOM 0 HE3 LYS A 151 1.447 -18.066 -4.930 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 2.188 -19.022 -6.997 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 1.440 -17.524 -7.284 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 3.133 -17.652 -7.337 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.126 -13.307 -1.115 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.655 -12.852 0.043 1.00 0.36 C ATOM 2302 C LEU A 152 -0.707 -13.953 1.112 1.00 0.57 C ATOM 2303 O LEU A 152 -1.349 -14.981 0.889 1.00 -0.57 O ATOM 2304 CB LEU A 152 -2.075 -12.394 -0.385 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.140 -11.077 -1.196 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -2.065 -11.320 -2.709 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.442 -10.287 -0.968 1.00 0.00 C ATOM 0 H LEU A 152 -0.159 -12.827 -1.969 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.160 -11.984 0.479 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.529 -13.187 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.685 -12.278 0.511 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.280 -10.511 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.115 -10.366 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -1.127 -11.819 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.900 -11.948 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.424 -9.375 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.295 -10.898 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.530 -10.028 0.087 1.00 0.00 H new ATOM 2319 N SER A 153 0.048 -13.765 2.207 1.00 -0.73 N ATOM 2320 CA SER A 153 0.447 -14.853 3.097 1.00 0.36 C ATOM 2321 C SER A 153 -0.686 -15.178 4.073 1.00 0.57 C ATOM 2322 O SER A 153 -1.529 -16.025 3.778 1.00 -0.57 O ATOM 2323 CB SER A 153 1.773 -14.467 3.788 1.00 0.28 C ATOM 2324 OG SER A 153 2.159 -15.421 4.761 1.00 -0.68 O ATOM 0 H SER A 153 0.396 -12.851 2.495 1.00 -0.73 H new ATOM 0 HA SER A 153 0.629 -15.771 2.538 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.559 -14.374 3.039 1.00 0.28 H new ATOM 0 HB3 SER A 153 1.666 -13.490 4.260 1.00 0.28 H new ATOM 0 HG SER A 153 3.003 -15.143 5.175 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.735 -14.483 5.215 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.817 -14.572 6.184 1.00 0.36 C ATOM 2332 C GLN A 154 -2.115 -13.187 6.736 1.00 0.57 C ATOM 2333 O GLN A 154 -3.287 -12.891 6.899 1.00 -0.57 O ATOM 2334 CB GLN A 154 -1.502 -15.501 7.369 1.00 0.00 C ATOM 2335 CG GLN A 154 -1.317 -16.998 7.050 1.00 0.06 C ATOM 2336 CD GLN A 154 0.061 -17.542 7.439 1.00 0.57 C ATOM 2337 OE1 GLN A 154 0.665 -17.108 8.421 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 0.579 -18.499 6.678 1.00 -0.80 N ATOM 0 H GLN A 154 -0.003 -13.829 5.491 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.672 -14.990 5.653 1.00 0.36 H new ATOM 0 HB2 GLN A 154 -0.592 -15.141 7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -2.307 -15.406 8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -2.085 -17.570 7.572 1.00 0.06 H new ATOM 0 HG3 GLN A 154 -1.473 -17.155 5.983 1.00 0.06 H new ATOM 0 HE21 GLN A 154 0.062 -18.844 5.869 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 1.494 -18.889 6.902 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.115 -12.322 6.965 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.338 -10.917 7.316 1.00 0.36 C ATOM 2349 C ASP A 155 -2.356 -10.283 6.371 1.00 0.57 C ATOM 2350 O ASP A 155 -3.348 -9.696 6.812 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.012 -10.129 7.272 1.00 0.06 C ATOM 2352 CG ASP A 155 0.636 -10.024 5.881 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.107 -8.949 5.548 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.653 -11.117 5.124 1.00 -0.65 O ATOM 0 H ASP A 155 -0.130 -12.580 6.911 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.733 -10.879 8.331 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.192 -9.122 7.649 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.697 -10.602 7.952 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.128 -10.481 5.073 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.933 -9.888 4.029 1.00 0.36 C ATOM 2362 C ASP A 156 -4.249 -10.657 3.891 1.00 0.57 C ATOM 2363 O ASP A 156 -5.310 -10.064 4.056 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.117 -9.852 2.731 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.569 -8.738 1.787 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.778 -8.368 0.935 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -3.803 -8.266 1.944 1.00 -0.65 O ATOM 0 H ASP A 156 -1.369 -11.065 4.723 1.00 -0.73 H new ATOM 0 HA ASP A 156 -3.198 -8.860 4.277 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.063 -9.714 2.972 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.205 -10.812 2.223 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.204 -11.987 3.698 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.409 -12.808 3.511 1.00 0.36 C ATOM 2375 C ILE A 157 -6.362 -12.667 4.702 1.00 0.57 C ATOM 2376 O ILE A 157 -7.559 -12.495 4.498 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.043 -14.294 3.259 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.268 -14.491 1.942 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.265 -15.237 3.283 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -5.019 -14.122 0.655 1.00 0.00 C ATOM 0 H ILE A 157 -3.334 -12.519 3.668 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.927 -12.441 2.625 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.396 -14.565 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -3.355 -13.897 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -3.965 -15.536 1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.938 -16.261 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.750 -15.180 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.971 -14.937 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.375 -14.302 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -5.918 -14.733 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -5.298 -13.069 0.686 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.857 -12.732 5.939 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.670 -12.631 7.148 1.00 0.36 C ATOM 2394 C LYS A 158 -7.240 -11.224 7.263 1.00 0.57 C ATOM 2395 O LYS A 158 -8.423 -11.084 7.567 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.790 -12.956 8.368 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.497 -13.137 9.719 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.904 -14.591 10.002 1.00 0.00 C ATOM 2399 CE LYS A 158 -8.169 -14.993 9.242 1.00 0.50 C ATOM 2400 NZ LYS A 158 -8.651 -16.321 9.666 1.00 -0.85 N ATOM 0 H LYS A 158 -4.862 -12.857 6.127 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.498 -13.338 7.104 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -5.238 -13.870 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -5.055 -12.158 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.838 -12.790 10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.386 -12.507 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -6.087 -15.256 9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -7.068 -14.719 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -8.949 -14.250 9.411 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -7.965 -15.003 8.171 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -9.510 -16.565 9.133 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -7.915 -17.032 9.482 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -8.868 -16.303 10.683 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.414 -10.200 7.013 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.850 -8.815 7.018 1.00 0.36 C ATOM 2416 C GLY A 159 -7.985 -8.618 6.016 1.00 0.57 C ATOM 2417 O GLY A 159 -9.053 -8.134 6.393 1.00 -0.57 O ATOM 0 H GLY A 159 -5.423 -10.319 6.802 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -7.184 -8.534 8.017 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -6.015 -8.162 6.766 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.784 -9.063 4.773 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.768 -8.990 3.703 1.00 0.36 C ATOM 2423 C ILE A 160 -10.029 -9.770 4.089 1.00 0.57 C ATOM 2424 O ILE A 160 -11.116 -9.197 4.057 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.117 -9.443 2.368 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.480 -8.243 1.634 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -9.077 -10.196 1.435 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.513 -7.299 1.004 1.00 0.00 C ATOM 0 H ILE A 160 -6.907 -9.495 4.481 1.00 -0.73 H new ATOM 0 HA ILE A 160 -9.097 -7.962 3.549 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.339 -10.155 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.865 -7.681 2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.814 -8.614 0.855 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.551 -10.480 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.444 -11.092 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.919 -9.551 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.999 -6.478 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.112 -7.848 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -9.163 -6.900 1.782 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.904 -11.035 4.505 1.00 -0.73 N ATOM 2441 CA GLN A 161 -11.036 -11.864 4.914 1.00 0.36 C ATOM 2442 C GLN A 161 -11.826 -11.247 6.063 1.00 0.57 C ATOM 2443 O GLN A 161 -13.006 -11.565 6.220 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.567 -13.257 5.347 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.382 -14.245 4.189 1.00 0.06 C ATOM 2446 CD GLN A 161 -10.153 -15.670 4.705 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -9.941 -15.908 5.899 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.232 -16.651 3.815 1.00 -0.80 N ATOM 0 H GLN A 161 -9.005 -11.513 4.567 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.685 -11.936 4.041 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.622 -13.160 5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.291 -13.670 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -11.263 -14.225 3.547 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.534 -13.937 3.577 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.408 -16.436 2.833 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.117 -17.620 4.112 1.00 -0.80 H new ATOM 2457 N LYS A 162 -11.192 -10.398 6.878 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.883 -9.653 7.913 1.00 0.36 C ATOM 2459 C LYS A 162 -12.560 -8.415 7.308 1.00 0.57 C ATOM 2460 O LYS A 162 -13.734 -8.205 7.607 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.890 -9.317 9.036 1.00 0.00 C ATOM 2462 CG LYS A 162 -11.597 -9.215 10.392 1.00 0.00 C ATOM 2463 CD LYS A 162 -11.477 -10.432 11.316 1.00 0.00 C ATOM 2464 CE LYS A 162 -11.707 -11.791 10.655 1.00 0.50 C ATOM 2465 NZ LYS A 162 -12.123 -12.774 11.669 1.00 -0.85 N ATOM 0 H LYS A 162 -10.190 -10.215 6.832 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.681 -10.251 8.354 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -10.117 -10.085 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -10.390 -8.375 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -11.202 -8.346 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.655 -9.025 10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.483 -10.429 11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -12.193 -10.319 12.130 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -12.472 -11.705 9.883 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -10.794 -12.126 10.163 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -12.278 -13.697 11.215 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -11.380 -12.864 12.391 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -13.005 -12.457 12.119 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.867 -7.677 6.421 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.321 -6.478 5.700 1.00 0.36 C ATOM 2481 C LEU A 163 -13.707 -6.681 5.085 1.00 0.57 C ATOM 2482 O LEU A 163 -14.629 -5.917 5.371 1.00 -0.57 O ATOM 2483 CB LEU A 163 -11.298 -6.122 4.586 1.00 0.00 C ATOM 2484 CG LEU A 163 -11.190 -4.644 4.151 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -10.395 -4.478 2.844 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -12.541 -3.998 3.885 1.00 0.00 C ATOM 0 H LEU A 163 -10.908 -7.922 6.173 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.391 -5.659 6.416 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.312 -6.445 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.544 -6.713 3.704 1.00 0.00 H new ATOM 0 HG LEU A 163 -10.690 -4.163 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -10.347 -3.422 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -9.385 -4.864 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.890 -5.030 2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -12.395 -2.961 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -13.052 -4.539 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -13.145 -4.031 4.792 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.864 -7.714 4.243 1.00 -0.73 N ATOM 2499 CA TYR A 164 -15.146 -8.000 3.586 1.00 0.36 C ATOM 2500 C TYR A 164 -15.983 -9.009 4.371 1.00 0.57 C ATOM 2501 O TYR A 164 -17.078 -9.360 3.919 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.954 -8.460 2.131 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.465 -9.887 1.935 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -13.087 -10.143 1.974 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.355 -10.944 1.652 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.587 -11.425 1.710 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.862 -12.240 1.382 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.465 -12.479 1.404 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.915 -13.692 1.124 1.00 -0.53 O ATOM 0 H TYR A 164 -13.117 -8.365 4.002 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.699 -7.061 3.568 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.904 -8.349 1.609 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -14.245 -7.786 1.650 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.402 -9.342 2.211 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.419 -10.761 1.642 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.522 -11.604 1.742 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.547 -13.045 1.160 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.627 -14.337 0.930 1.00 -0.53 H new