USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 928 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 132 HIS : no HE2:sc= -2.49 K(o=-0.9,f=-4.8!) USER MOD Set 1.2: A 135 THR OG1 : rot 157:sc= 1.59 USER MOD Set 2.1: A 93 MET CE :methyl -125:sc= -5.69! (180deg=-3.6!) USER MOD Set 2.2: A 110 MET CE :methyl -163:sc= -2.14 (180deg=-3.28!) USER MOD Set 3.1: A 72 ASN : amide:sc= -3.36! C(o=-3.8!,f=-7.4!) USER MOD Set 3.2: A 114 LYS NZ :NH3+ -157:sc= -0.442 (180deg=-0.174) USER MOD Set 4.1: A 65 SER OG : rot 62:sc= 1.63 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 0.273 K(o=2.4,f=0.89) USER MOD Set 4.3: A 111 THR OG1 : rot -112:sc= 0.46 USER MOD Set 5.1: A 63 MET CE :methyl -140:sc= -4.19 (180deg=-4.63) USER MOD Set 5.2: A 151 THR OG1 : rot -83:sc= -0.844 USER MOD Set 6.1: A 54 ASN : amide:sc= -0.469 K(o=-2.5,f=-3.5!) USER MOD Set 6.2: A 57 THR OG1 : rot 4:sc= -1.99! USER MOD Set 7.1: A 41 GLN : amide:sc= -3.12! C(o=-2.7!,f=-3.6!) USER MOD Set 7.2: A 84 LYS NZ :NH3+ 177:sc= 0.429 (180deg=0) USER MOD Set 8.1: A 35 SER OG : rot 100:sc= 0.176 USER MOD Set 8.2: A 154 LYS NZ :NH3+ -149:sc= 1.35 (180deg=0.955) USER MOD Single : A 28 THR OG1 : rot 25:sc= 0.364 USER MOD Single : A 31 GLN : amide:sc=-0.00151 X(o=-0.0015,f=-0.46) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 36 CYS SG : rot -171:sc= -5.36! USER MOD Single : A 37 TYR OH : rot 176:sc= 0.583 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc=-0.00782 (180deg=-0.107) USER MOD Single : A 48 SER OG : rot -71:sc= 1.02 USER MOD Single : A 55 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.9!) USER MOD Single : A 59 HIS : no HE2:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.26) USER MOD Single : A 78 THR OG1 : rot -176:sc= 1.53 USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 0.532 (180deg=-1.12!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc=-0.00433 F(o=-0.78,f=-0.0043) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0321 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00468 USER MOD Single : A 103 LYS NZ :NH3+ -171:sc= 0.276 (180deg=-0.063!) USER MOD Single : A 107 ASN : amide:sc=0.000642 X(o=0.00064,f=0) USER MOD Single : A 108 SER OG : rot 98:sc= 1.25 USER MOD Single : A 109 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.71) USER MOD Single : A 116 THR OG1 : rot 102:sc= 1.29 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -117:sc= 0.433 (180deg=0.0731) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.81 F(o=-4.6!,f=-1.8) USER MOD Single : A 146 SER OG : rot -33:sc= 1.14 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 114:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 28 0.409 -15.308 -2.998 1.00 0.00 N ATOM 79 CA THR A 28 0.585 -13.948 -3.452 1.00 0.00 C ATOM 80 C THR A 28 0.548 -13.040 -2.217 1.00 0.00 C ATOM 81 O THR A 28 0.952 -11.873 -2.249 1.00 0.00 O ATOM 82 CB THR A 28 -0.576 -13.573 -4.386 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.766 -14.635 -5.339 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.280 -12.270 -5.124 1.00 0.00 C ATOM 0 HA THR A 28 1.528 -13.838 -3.987 1.00 0.00 H new ATOM 0 HB THR A 28 -1.479 -13.431 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.435 -15.476 -4.962 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.116 -12.025 -5.779 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.138 -11.467 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.625 -12.387 -5.719 1.00 0.00 H new ATOM 92 N TRP A 29 0.059 -13.620 -1.142 1.00 0.00 N ATOM 93 CA TRP A 29 -0.067 -12.974 0.113 1.00 0.00 C ATOM 94 C TRP A 29 1.189 -13.193 0.918 1.00 0.00 C ATOM 95 O TRP A 29 1.712 -14.313 1.007 1.00 0.00 O ATOM 96 CB TRP A 29 -1.271 -13.512 0.849 1.00 0.00 C ATOM 97 CG TRP A 29 -2.569 -13.135 0.250 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.123 -13.636 -0.854 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.469 -12.189 0.756 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.320 -13.047 -1.100 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.555 -12.137 -0.111 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.447 -11.382 1.851 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.618 -11.285 0.100 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.512 -10.528 2.072 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.579 -10.487 1.196 1.00 0.00 C ATOM 0 H TRP A 29 -0.268 -14.586 -1.135 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.206 -11.904 -0.039 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.203 -14.599 0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.242 -13.155 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.680 -14.406 -1.469 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.937 -13.249 -1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.612 -11.408 2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.453 -11.254 -0.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.509 -9.885 2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.397 -9.808 1.387 1.00 0.00 H new ATOM 116 N ILE A 30 1.666 -12.137 1.468 1.00 0.00 N ATOM 117 CA ILE A 30 2.892 -12.111 2.195 1.00 0.00 C ATOM 118 C ILE A 30 2.632 -11.871 3.666 1.00 0.00 C ATOM 119 O ILE A 30 2.175 -10.813 4.060 1.00 0.00 O ATOM 120 CB ILE A 30 3.793 -11.019 1.590 1.00 0.00 C ATOM 121 CG1 ILE A 30 4.039 -11.394 0.137 1.00 0.00 C ATOM 122 CG2 ILE A 30 5.109 -10.862 2.351 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.898 -10.460 -0.585 1.00 0.00 C ATOM 0 H ILE A 30 1.200 -11.231 1.425 1.00 0.00 H new ATOM 0 HA ILE A 30 3.398 -13.073 2.116 1.00 0.00 H new ATOM 0 HB ILE A 30 3.297 -10.051 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.489 -12.386 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.080 -11.460 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.708 -10.080 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.901 -10.591 3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.658 -11.803 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.023 -10.800 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.442 -9.470 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.872 -10.411 -0.098 1.00 0.00 H new ATOM 135 N GLN A 31 2.892 -12.864 4.454 1.00 0.00 N ATOM 136 CA GLN A 31 2.671 -12.796 5.870 1.00 0.00 C ATOM 137 C GLN A 31 3.840 -12.104 6.526 1.00 0.00 C ATOM 138 O GLN A 31 5.003 -12.408 6.227 1.00 0.00 O ATOM 139 CB GLN A 31 2.505 -14.197 6.459 1.00 0.00 C ATOM 140 CG GLN A 31 2.253 -14.234 7.933 1.00 0.00 C ATOM 141 CD GLN A 31 2.179 -15.640 8.434 1.00 0.00 C ATOM 142 OE1 GLN A 31 1.731 -16.558 7.744 1.00 0.00 O ATOM 143 NE2 GLN A 31 2.684 -15.833 9.583 1.00 0.00 N ATOM 0 H GLN A 31 3.268 -13.756 4.133 1.00 0.00 H new ATOM 0 HA GLN A 31 1.756 -12.233 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.678 -14.693 5.951 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.404 -14.775 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.048 -13.701 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.321 -13.715 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.044 -15.045 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.730 -16.776 9.968 1.00 0.00 H new ATOM 152 N PHE A 32 3.538 -11.175 7.374 1.00 0.00 N ATOM 153 CA PHE A 32 4.506 -10.468 8.106 1.00 0.00 C ATOM 154 C PHE A 32 3.987 -10.269 9.505 1.00 0.00 C ATOM 155 O PHE A 32 2.924 -9.659 9.701 1.00 0.00 O ATOM 156 CB PHE A 32 4.789 -9.168 7.413 1.00 0.00 C ATOM 157 CG PHE A 32 5.856 -8.348 8.024 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.183 -8.723 7.919 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.538 -7.193 8.672 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.175 -7.944 8.459 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.517 -6.400 9.212 1.00 0.00 C ATOM 162 CZ PHE A 32 7.846 -6.779 9.105 1.00 0.00 C ATOM 0 H PHE A 32 2.580 -10.888 7.573 1.00 0.00 H new ATOM 0 HA PHE A 32 5.445 -11.018 8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.062 -9.378 6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.871 -8.581 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.441 -9.638 7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.503 -6.899 8.761 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.209 -8.246 8.376 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.254 -5.483 9.719 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.621 -6.158 9.529 1.00 0.00 H new ATOM 172 N GLN A 33 4.715 -10.830 10.456 1.00 0.00 N ATOM 173 CA GLN A 33 4.374 -10.840 11.876 1.00 0.00 C ATOM 174 C GLN A 33 3.047 -11.541 12.150 1.00 0.00 C ATOM 175 O GLN A 33 3.020 -12.748 12.415 1.00 0.00 O ATOM 176 CB GLN A 33 4.420 -9.454 12.516 1.00 0.00 C ATOM 177 CG GLN A 33 5.792 -8.819 12.492 1.00 0.00 C ATOM 178 CD GLN A 33 5.817 -7.486 13.194 1.00 0.00 C ATOM 179 OE1 GLN A 33 5.059 -7.244 14.133 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.685 -6.627 12.775 1.00 0.00 N ATOM 0 H GLN A 33 5.593 -11.310 10.257 1.00 0.00 H new ATOM 0 HA GLN A 33 5.156 -11.427 12.358 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.718 -8.801 11.998 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.082 -9.529 13.550 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.509 -9.490 12.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.112 -8.689 11.458 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.298 -6.861 11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.758 -5.715 13.225 1.00 0.00 H new ATOM 189 N ASP A 34 1.964 -10.823 12.050 1.00 0.00 N ATOM 190 CA ASP A 34 0.656 -11.396 12.304 1.00 0.00 C ATOM 191 C ASP A 34 -0.346 -10.886 11.296 1.00 0.00 C ATOM 192 O ASP A 34 -1.555 -10.963 11.499 1.00 0.00 O ATOM 193 CB ASP A 34 0.175 -11.103 13.736 1.00 0.00 C ATOM 194 CG ASP A 34 -0.085 -9.630 14.013 1.00 0.00 C ATOM 195 OD1 ASP A 34 0.875 -8.894 14.340 1.00 0.00 O ATOM 196 OD2 ASP A 34 -1.247 -9.189 13.937 1.00 0.00 O ATOM 0 H ASP A 34 1.953 -9.836 11.794 1.00 0.00 H new ATOM 0 HA ASP A 34 0.743 -12.478 12.201 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.741 -11.664 13.923 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.922 -11.468 14.441 1.00 0.00 H new ATOM 201 N SER A 35 0.140 -10.391 10.202 1.00 0.00 N ATOM 202 CA SER A 35 -0.728 -9.952 9.154 1.00 0.00 C ATOM 203 C SER A 35 -0.276 -10.504 7.831 1.00 0.00 C ATOM 204 O SER A 35 0.840 -10.995 7.709 1.00 0.00 O ATOM 205 CB SER A 35 -0.757 -8.447 9.069 1.00 0.00 C ATOM 206 OG SER A 35 -1.188 -7.871 10.283 1.00 0.00 O ATOM 0 H SER A 35 1.136 -10.280 10.010 1.00 0.00 H new ATOM 0 HA SER A 35 -1.729 -10.317 9.383 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.237 -8.076 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.422 -8.139 8.262 1.00 0.00 H new ATOM 0 HG SER A 35 -0.410 -7.560 10.792 1.00 0.00 H new ATOM 212 N CYS A 36 -1.130 -10.420 6.862 1.00 0.00 N ATOM 213 CA CYS A 36 -0.801 -10.830 5.542 1.00 0.00 C ATOM 214 C CYS A 36 -1.066 -9.692 4.612 1.00 0.00 C ATOM 215 O CYS A 36 -1.985 -8.887 4.814 1.00 0.00 O ATOM 216 CB CYS A 36 -1.542 -12.080 5.148 1.00 0.00 C ATOM 217 SG CYS A 36 -0.658 -13.059 3.921 1.00 0.00 S ATOM 0 H CYS A 36 -2.079 -10.063 6.968 1.00 0.00 H new ATOM 0 HA CYS A 36 0.257 -11.089 5.490 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.716 -12.689 6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.520 -11.807 4.752 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.429 -14.013 3.490 1.00 0.00 H new ATOM 222 N TYR A 37 -0.204 -9.590 3.677 1.00 0.00 N ATOM 223 CA TYR A 37 -0.109 -8.498 2.782 1.00 0.00 C ATOM 224 C TYR A 37 -0.254 -8.898 1.337 1.00 0.00 C ATOM 225 O TYR A 37 0.209 -9.946 0.940 1.00 0.00 O ATOM 226 CB TYR A 37 1.263 -7.937 3.005 1.00 0.00 C ATOM 227 CG TYR A 37 1.416 -7.240 4.286 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.684 -7.937 5.398 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.295 -5.908 4.360 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.837 -7.352 6.607 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.438 -5.257 5.555 1.00 0.00 C ATOM 232 CZ TYR A 37 1.708 -5.984 6.691 1.00 0.00 C ATOM 233 OH TYR A 37 1.886 -5.333 7.885 1.00 0.00 O ATOM 0 H TYR A 37 0.499 -10.309 3.502 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.914 -7.788 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.990 -8.748 2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.499 -7.246 2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.782 -9.010 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.082 -5.341 3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.055 -7.943 7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.340 -4.183 5.606 1.00 0.00 H new ATOM 0 HH TYR A 37 1.820 -4.366 7.743 1.00 0.00 H new ATOM 243 N ILE A 38 -0.902 -8.061 0.566 1.00 0.00 N ATOM 244 CA ILE A 38 -1.024 -8.270 -0.863 1.00 0.00 C ATOM 245 C ILE A 38 -1.127 -6.927 -1.585 1.00 0.00 C ATOM 246 O ILE A 38 -1.779 -6.012 -1.089 1.00 0.00 O ATOM 247 CB ILE A 38 -2.210 -9.200 -1.232 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.219 -9.499 -2.742 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.528 -8.600 -0.780 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.327 -10.426 -3.184 1.00 0.00 C ATOM 0 H ILE A 38 -1.361 -7.216 0.906 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.121 -8.782 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.080 -10.146 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.308 -8.559 -3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.261 -9.938 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.344 -9.270 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.513 -8.463 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.674 -7.636 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.261 -10.584 -4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.228 -11.382 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.292 -9.981 -2.941 1.00 0.00 H new ATOM 262 N PHE A 39 -0.430 -6.777 -2.694 1.00 0.00 N ATOM 263 CA PHE A 39 -0.559 -5.574 -3.486 1.00 0.00 C ATOM 264 C PHE A 39 -1.290 -5.930 -4.680 1.00 0.00 C ATOM 265 O PHE A 39 -0.906 -6.866 -5.398 1.00 0.00 O ATOM 266 CB PHE A 39 0.748 -5.046 -3.980 1.00 0.00 C ATOM 267 CG PHE A 39 0.777 -3.573 -4.193 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.676 -2.719 -3.134 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.917 -3.045 -5.437 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.703 -1.355 -3.311 1.00 0.00 C ATOM 271 CE2 PHE A 39 0.949 -1.677 -5.621 1.00 0.00 C ATOM 272 CZ PHE A 39 0.839 -0.838 -4.564 1.00 0.00 C ATOM 0 H PHE A 39 0.225 -7.467 -3.063 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.034 -4.823 -2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.527 -5.313 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.994 -5.541 -4.919 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.573 -3.122 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.004 -3.702 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.617 -0.696 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.063 -1.273 -6.616 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.859 0.231 -4.713 1.00 0.00 H new ATOM 282 N LEU A 40 -2.313 -5.270 -4.907 1.00 0.00 N ATOM 283 CA LEU A 40 -3.005 -5.475 -6.045 1.00 0.00 C ATOM 284 C LEU A 40 -3.125 -4.214 -6.799 1.00 0.00 C ATOM 285 O LEU A 40 -3.877 -3.316 -6.425 1.00 0.00 O ATOM 286 CB LEU A 40 -4.332 -6.269 -5.870 1.00 0.00 C ATOM 287 CG LEU A 40 -5.213 -6.085 -4.600 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.491 -6.532 -3.355 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.752 -4.670 -4.448 1.00 0.00 C ATOM 0 H LEU A 40 -2.696 -4.556 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.424 -6.162 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.959 -6.037 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.082 -7.328 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.080 -6.731 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.137 -6.389 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.232 -7.587 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.582 -5.944 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.358 -4.607 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.920 -3.969 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.365 -4.419 -5.314 1.00 0.00 H new ATOM 301 N GLN A 41 -2.263 -4.045 -7.753 1.00 0.00 N ATOM 302 CA GLN A 41 -2.437 -2.927 -8.620 1.00 0.00 C ATOM 303 C GLN A 41 -3.687 -3.097 -9.492 1.00 0.00 C ATOM 304 O GLN A 41 -3.675 -3.766 -10.536 1.00 0.00 O ATOM 305 CB GLN A 41 -1.186 -2.634 -9.439 1.00 0.00 C ATOM 306 CG GLN A 41 -0.072 -2.176 -8.552 1.00 0.00 C ATOM 307 CD GLN A 41 1.156 -1.694 -9.256 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.085 -1.188 -10.369 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.306 -1.802 -8.602 1.00 0.00 N ATOM 0 H GLN A 41 -1.460 -4.644 -7.946 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.597 -2.047 -7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.882 -3.529 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.403 -1.868 -10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.444 -1.372 -7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.207 -2.999 -7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.328 -2.229 -7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.168 -1.458 -9.025 1.00 0.00 H new ATOM 318 N GLU A 42 -4.757 -2.520 -9.000 1.00 0.00 N ATOM 319 CA GLU A 42 -6.051 -2.469 -9.645 1.00 0.00 C ATOM 320 C GLU A 42 -6.386 -1.017 -9.979 1.00 0.00 C ATOM 321 O GLU A 42 -6.527 -0.186 -9.081 1.00 0.00 O ATOM 322 CB GLU A 42 -7.130 -3.033 -8.712 1.00 0.00 C ATOM 323 CG GLU A 42 -6.986 -4.523 -8.360 1.00 0.00 C ATOM 324 CD GLU A 42 -7.137 -5.428 -9.559 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.294 -5.684 -9.990 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.122 -5.911 -10.097 1.00 0.00 O ATOM 0 H GLU A 42 -4.750 -2.050 -8.095 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.020 -3.067 -10.556 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.124 -2.457 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.104 -2.880 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.010 -4.691 -7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.735 -4.789 -7.614 1.00 0.00 H new ATOM 333 N ALA A 43 -6.493 -0.708 -11.236 1.00 0.00 N ATOM 334 CA ALA A 43 -6.838 0.641 -11.653 1.00 0.00 C ATOM 335 C ALA A 43 -8.344 0.810 -11.618 1.00 0.00 C ATOM 336 O ALA A 43 -9.070 0.124 -12.355 1.00 0.00 O ATOM 337 CB ALA A 43 -6.320 0.902 -13.052 1.00 0.00 C ATOM 0 H ALA A 43 -6.348 -1.366 -12.002 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.378 1.357 -10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.584 1.915 -13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.236 0.790 -13.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.767 0.189 -13.744 1.00 0.00 H new ATOM 343 N ILE A 44 -8.815 1.695 -10.774 1.00 0.00 N ATOM 344 CA ILE A 44 -10.243 1.931 -10.606 1.00 0.00 C ATOM 345 C ILE A 44 -10.481 3.409 -10.386 1.00 0.00 C ATOM 346 O ILE A 44 -9.557 4.138 -10.004 1.00 0.00 O ATOM 347 CB ILE A 44 -10.901 1.171 -9.403 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.400 1.700 -8.071 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.685 -0.342 -9.482 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.237 1.239 -6.913 1.00 0.00 C ATOM 0 H ILE A 44 -8.225 2.277 -10.180 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.704 1.553 -11.519 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.973 1.358 -9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.370 1.377 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.392 2.790 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.160 -0.822 -8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.125 -0.725 -10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.617 -0.558 -9.473 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.833 1.647 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.262 1.584 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.224 0.150 -6.866 1.00 0.00 H new ATOM 362 N LYS A 45 -11.671 3.860 -10.688 1.00 0.00 N ATOM 363 CA LYS A 45 -12.056 5.202 -10.432 1.00 0.00 C ATOM 364 C LYS A 45 -12.154 5.396 -8.928 1.00 0.00 C ATOM 365 O LYS A 45 -13.053 4.868 -8.279 1.00 0.00 O ATOM 366 CB LYS A 45 -13.408 5.500 -11.083 1.00 0.00 C ATOM 367 CG LYS A 45 -13.913 6.908 -10.852 1.00 0.00 C ATOM 368 CD LYS A 45 -12.959 7.915 -11.447 1.00 0.00 C ATOM 369 CE LYS A 45 -13.426 9.345 -11.214 1.00 0.00 C ATOM 370 NZ LYS A 45 -14.708 9.634 -11.877 1.00 0.00 N ATOM 0 H LYS A 45 -12.398 3.292 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.316 5.883 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.328 5.327 -12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.146 4.795 -10.701 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.900 7.025 -11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.024 7.090 -9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.970 7.780 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.862 7.735 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.527 9.521 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.667 10.036 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.899 10.655 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.660 9.333 -12.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.472 9.118 -11.396 1.00 0.00 H new ATOM 384 N VAL A 46 -11.228 6.101 -8.388 1.00 0.00 N ATOM 385 CA VAL A 46 -11.204 6.356 -6.993 1.00 0.00 C ATOM 386 C VAL A 46 -11.798 7.704 -6.722 1.00 0.00 C ATOM 387 O VAL A 46 -11.335 8.722 -7.218 1.00 0.00 O ATOM 388 CB VAL A 46 -9.777 6.254 -6.425 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.748 6.475 -4.928 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.192 4.913 -6.775 1.00 0.00 C ATOM 0 H VAL A 46 -10.457 6.522 -8.907 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.801 5.596 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.174 7.043 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.722 6.394 -4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.136 7.468 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.365 5.722 -4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.181 4.841 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.810 4.124 -6.347 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.160 4.802 -7.859 1.00 0.00 H new ATOM 400 N GLU A 47 -12.858 7.682 -6.016 1.00 0.00 N ATOM 401 CA GLU A 47 -13.551 8.865 -5.627 1.00 0.00 C ATOM 402 C GLU A 47 -13.036 9.301 -4.273 1.00 0.00 C ATOM 403 O GLU A 47 -12.824 10.487 -4.003 1.00 0.00 O ATOM 404 CB GLU A 47 -15.024 8.545 -5.537 1.00 0.00 C ATOM 405 CG GLU A 47 -15.627 8.105 -6.804 1.00 0.00 C ATOM 406 CD GLU A 47 -15.845 9.209 -7.800 1.00 0.00 C ATOM 407 OE1 GLU A 47 -14.889 9.658 -8.430 1.00 0.00 O ATOM 408 OE2 GLU A 47 -17.004 9.650 -7.975 1.00 0.00 O ATOM 0 H GLU A 47 -13.289 6.821 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.393 9.665 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.169 7.765 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.555 9.429 -5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.986 7.347 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.584 7.629 -6.592 1.00 0.00 H new ATOM 415 N SER A 48 -12.805 8.330 -3.448 1.00 0.00 N ATOM 416 CA SER A 48 -12.356 8.517 -2.122 1.00 0.00 C ATOM 417 C SER A 48 -11.418 7.431 -1.805 1.00 0.00 C ATOM 418 O SER A 48 -11.406 6.436 -2.497 1.00 0.00 O ATOM 419 CB SER A 48 -13.526 8.437 -1.177 1.00 0.00 C ATOM 420 OG SER A 48 -14.407 9.540 -1.353 1.00 0.00 O ATOM 0 H SER A 48 -12.932 7.349 -3.698 1.00 0.00 H new ATOM 0 HA SER A 48 -11.875 9.490 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.068 7.506 -1.343 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.165 8.417 -0.149 1.00 0.00 H new ATOM 0 HG SER A 48 -13.985 10.354 -1.007 1.00 0.00 H new ATOM 426 N ILE A 49 -10.653 7.570 -0.751 1.00 0.00 N ATOM 427 CA ILE A 49 -9.737 6.552 -0.380 1.00 0.00 C ATOM 428 C ILE A 49 -10.506 5.273 -0.009 1.00 0.00 C ATOM 429 O ILE A 49 -10.021 4.182 -0.126 1.00 0.00 O ATOM 430 CB ILE A 49 -8.821 7.013 0.736 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.751 6.004 0.973 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.603 7.244 1.963 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.662 6.477 1.942 1.00 0.00 C ATOM 0 H ILE A 49 -10.656 8.387 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.094 6.326 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.347 7.951 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.203 5.093 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.290 5.746 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.938 7.575 2.761 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.355 8.010 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.094 6.318 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.918 5.690 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.182 7.370 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.110 6.707 2.909 1.00 0.00 H new ATOM 445 N GLU A 50 -11.715 5.467 0.373 1.00 0.00 N ATOM 446 CA GLU A 50 -12.679 4.390 0.590 1.00 0.00 C ATOM 447 C GLU A 50 -12.821 3.528 -0.675 1.00 0.00 C ATOM 448 O GLU A 50 -12.952 2.331 -0.596 1.00 0.00 O ATOM 449 CB GLU A 50 -14.032 4.953 0.943 1.00 0.00 C ATOM 450 CG GLU A 50 -14.106 5.606 2.294 1.00 0.00 C ATOM 451 CD GLU A 50 -13.916 4.607 3.398 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.621 3.573 3.400 1.00 0.00 O ATOM 453 OE2 GLU A 50 -13.104 4.843 4.291 1.00 0.00 O ATOM 0 H GLU A 50 -12.096 6.395 0.555 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.310 3.777 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.316 5.683 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.767 4.149 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.343 6.381 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.072 6.098 2.409 1.00 0.00 H new ATOM 460 N ASP A 51 -12.733 4.147 -1.820 1.00 0.00 N ATOM 461 CA ASP A 51 -12.848 3.474 -3.077 1.00 0.00 C ATOM 462 C ASP A 51 -11.665 2.585 -3.320 1.00 0.00 C ATOM 463 O ASP A 51 -11.795 1.503 -3.844 1.00 0.00 O ATOM 464 CB ASP A 51 -12.949 4.490 -4.200 1.00 0.00 C ATOM 465 CG ASP A 51 -14.284 5.158 -4.290 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.559 6.062 -3.493 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.084 4.792 -5.153 1.00 0.00 O ATOM 0 H ASP A 51 -12.576 5.151 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.748 2.860 -3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.181 5.251 -4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.737 3.994 -5.147 1.00 0.00 H new ATOM 472 N VAL A 52 -10.528 3.016 -2.867 1.00 0.00 N ATOM 473 CA VAL A 52 -9.309 2.326 -3.132 1.00 0.00 C ATOM 474 C VAL A 52 -9.076 1.287 -2.078 1.00 0.00 C ATOM 475 O VAL A 52 -8.598 0.204 -2.342 1.00 0.00 O ATOM 476 CB VAL A 52 -8.109 3.299 -3.281 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.197 4.448 -2.363 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.787 2.571 -3.207 1.00 0.00 C ATOM 0 H VAL A 52 -10.422 3.859 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.398 1.820 -4.093 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.164 3.727 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.333 5.097 -2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.110 5.008 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.213 4.091 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.971 3.286 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.702 2.067 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.732 1.834 -4.008 1.00 0.00 H new ATOM 488 N ARG A 53 -9.490 1.604 -0.896 1.00 0.00 N ATOM 489 CA ARG A 53 -9.376 0.739 0.205 1.00 0.00 C ATOM 490 C ARG A 53 -10.270 -0.510 -0.025 1.00 0.00 C ATOM 491 O ARG A 53 -9.987 -1.605 0.473 1.00 0.00 O ATOM 492 CB ARG A 53 -9.687 1.569 1.497 1.00 0.00 C ATOM 493 CG ARG A 53 -11.063 2.006 1.705 1.00 0.00 C ATOM 494 CD ARG A 53 -11.905 0.879 2.123 1.00 0.00 C ATOM 495 NE ARG A 53 -11.749 0.491 3.528 1.00 0.00 N ATOM 496 CZ ARG A 53 -12.779 0.320 4.361 1.00 0.00 C ATOM 497 NH1 ARG A 53 -13.943 0.919 4.114 1.00 0.00 N ATOM 498 NH2 ARG A 53 -12.613 -0.347 5.479 1.00 0.00 N ATOM 0 H ARG A 53 -9.927 2.499 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.370 0.338 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.390 0.972 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.051 2.454 1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.091 2.789 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.456 2.439 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.949 1.136 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.676 0.018 1.494 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.806 0.344 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.048 1.509 3.288 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.729 0.788 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.698 -0.734 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.399 -0.478 6.116 1.00 0.00 H new ATOM 512 N ASN A 54 -11.310 -0.312 -0.855 1.00 0.00 N ATOM 513 CA ASN A 54 -12.278 -1.356 -1.244 1.00 0.00 C ATOM 514 C ASN A 54 -11.595 -2.492 -1.940 1.00 0.00 C ATOM 515 O ASN A 54 -12.057 -3.631 -1.908 1.00 0.00 O ATOM 516 CB ASN A 54 -13.344 -0.801 -2.178 1.00 0.00 C ATOM 517 CG ASN A 54 -14.463 -0.055 -1.483 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.784 -0.313 -0.318 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.091 0.845 -2.191 1.00 0.00 N ATOM 0 H ASN A 54 -11.506 0.593 -1.282 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.743 -1.710 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.868 -0.131 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.773 -1.625 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.872 1.359 -1.785 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.800 1.033 -3.150 1.00 0.00 H new ATOM 526 N GLN A 55 -10.492 -2.175 -2.558 1.00 0.00 N ATOM 527 CA GLN A 55 -9.688 -3.146 -3.276 1.00 0.00 C ATOM 528 C GLN A 55 -9.122 -4.170 -2.305 1.00 0.00 C ATOM 529 O GLN A 55 -8.996 -5.342 -2.625 1.00 0.00 O ATOM 530 CB GLN A 55 -8.554 -2.453 -4.012 1.00 0.00 C ATOM 531 CG GLN A 55 -9.017 -1.395 -4.988 1.00 0.00 C ATOM 532 CD GLN A 55 -7.862 -0.677 -5.677 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.786 -1.230 -5.877 1.00 0.00 O ATOM 534 NE2 GLN A 55 -8.083 0.562 -6.039 1.00 0.00 N ATOM 0 H GLN A 55 -10.115 -1.228 -2.583 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.321 -3.653 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.887 -1.994 -3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.972 -3.201 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.653 -1.858 -5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.629 -0.664 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.990 0.992 -5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.348 1.097 -6.502 1.00 0.00 H new ATOM 543 N CYS A 56 -8.818 -3.734 -1.109 1.00 0.00 N ATOM 544 CA CYS A 56 -8.287 -4.595 -0.122 1.00 0.00 C ATOM 545 C CYS A 56 -9.363 -5.305 0.623 1.00 0.00 C ATOM 546 O CYS A 56 -9.261 -6.517 0.874 1.00 0.00 O ATOM 547 CB CYS A 56 -7.417 -3.835 0.820 1.00 0.00 C ATOM 548 SG CYS A 56 -5.994 -3.118 0.017 1.00 0.00 S ATOM 0 H CYS A 56 -8.938 -2.767 -0.806 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.684 -5.347 -0.630 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.001 -3.044 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.083 -4.500 1.616 1.00 0.00 H new ATOM 553 N THR A 57 -10.428 -4.591 0.925 1.00 0.00 N ATOM 554 CA THR A 57 -11.545 -5.142 1.669 1.00 0.00 C ATOM 555 C THR A 57 -12.237 -6.221 0.867 1.00 0.00 C ATOM 556 O THR A 57 -12.895 -7.103 1.405 1.00 0.00 O ATOM 557 CB THR A 57 -12.508 -4.034 2.082 1.00 0.00 C ATOM 558 OG1 THR A 57 -12.943 -3.331 0.923 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.802 -3.064 3.002 1.00 0.00 C ATOM 0 H THR A 57 -10.545 -3.612 0.662 1.00 0.00 H new ATOM 0 HA THR A 57 -11.168 -5.606 2.581 1.00 0.00 H new ATOM 0 HB THR A 57 -13.363 -4.475 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.580 -3.764 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.492 -2.273 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.456 -3.592 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.948 -2.627 2.484 1.00 0.00 H new ATOM 567 N ASP A 58 -11.982 -6.178 -0.423 1.00 0.00 N ATOM 568 CA ASP A 58 -12.457 -7.156 -1.396 1.00 0.00 C ATOM 569 C ASP A 58 -11.837 -8.534 -1.132 1.00 0.00 C ATOM 570 O ASP A 58 -12.324 -9.558 -1.605 1.00 0.00 O ATOM 571 CB ASP A 58 -12.091 -6.675 -2.814 1.00 0.00 C ATOM 572 CG ASP A 58 -12.528 -7.609 -3.915 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.743 -7.829 -4.073 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.649 -8.151 -4.634 1.00 0.00 O ATOM 0 H ASP A 58 -11.420 -5.439 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.539 -7.250 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.542 -5.697 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.011 -6.542 -2.873 1.00 0.00 H new ATOM 579 N HIS A 59 -10.770 -8.557 -0.360 1.00 0.00 N ATOM 580 CA HIS A 59 -10.074 -9.793 -0.065 1.00 0.00 C ATOM 581 C HIS A 59 -10.121 -10.083 1.419 1.00 0.00 C ATOM 582 O HIS A 59 -9.340 -10.891 1.919 1.00 0.00 O ATOM 583 CB HIS A 59 -8.604 -9.728 -0.465 1.00 0.00 C ATOM 584 CG HIS A 59 -8.285 -9.391 -1.890 1.00 0.00 C ATOM 585 ND1 HIS A 59 -7.923 -10.317 -2.848 1.00 0.00 N ATOM 586 CD2 HIS A 59 -8.193 -8.197 -2.488 1.00 0.00 C ATOM 587 CE1 HIS A 59 -7.619 -9.683 -3.964 1.00 0.00 C ATOM 588 NE2 HIS A 59 -7.777 -8.401 -3.762 1.00 0.00 N ATOM 0 H HIS A 59 -10.364 -7.729 0.077 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.576 -10.574 -0.636 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.115 -8.991 0.172 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.152 -10.694 -0.239 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -7.895 -11.328 -2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.411 -7.241 -2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.295 -10.144 -4.886 1.00 0.00 H new ATOM 597 N GLY A 60 -11.012 -9.425 2.130 1.00 0.00 N ATOM 598 CA GLY A 60 -11.050 -9.606 3.565 1.00 0.00 C ATOM 599 C GLY A 60 -9.847 -8.966 4.219 1.00 0.00 C ATOM 600 O GLY A 60 -9.377 -9.390 5.275 1.00 0.00 O ATOM 0 H GLY A 60 -11.702 -8.777 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -11.964 -9.169 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.075 -10.670 3.801 1.00 0.00 H new ATOM 604 N ALA A 61 -9.326 -7.979 3.561 1.00 0.00 N ATOM 605 CA ALA A 61 -8.190 -7.240 4.041 1.00 0.00 C ATOM 606 C ALA A 61 -8.588 -5.792 4.110 1.00 0.00 C ATOM 607 O ALA A 61 -9.709 -5.471 3.817 1.00 0.00 O ATOM 608 CB ALA A 61 -7.012 -7.427 3.080 1.00 0.00 C ATOM 0 H ALA A 61 -9.680 -7.655 2.661 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.883 -7.592 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.152 -6.866 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.756 -8.485 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.288 -7.063 2.090 1.00 0.00 H new ATOM 614 N ASP A 62 -7.718 -4.946 4.516 1.00 0.00 N ATOM 615 CA ASP A 62 -7.968 -3.517 4.455 1.00 0.00 C ATOM 616 C ASP A 62 -6.652 -2.902 4.084 1.00 0.00 C ATOM 617 O ASP A 62 -5.664 -3.636 3.992 1.00 0.00 O ATOM 618 CB ASP A 62 -8.515 -2.928 5.766 1.00 0.00 C ATOM 619 CG ASP A 62 -9.398 -1.694 5.513 1.00 0.00 C ATOM 620 OD1 ASP A 62 -9.157 -0.944 4.532 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.400 -1.501 6.257 1.00 0.00 O ATOM 0 H ASP A 62 -6.809 -5.201 4.902 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.750 -3.302 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.094 -3.687 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.684 -2.653 6.416 1.00 0.00 H new ATOM 626 N MET A 63 -6.610 -1.643 3.773 1.00 0.00 N ATOM 627 CA MET A 63 -5.344 -1.045 3.352 1.00 0.00 C ATOM 628 C MET A 63 -4.266 -1.115 4.445 1.00 0.00 C ATOM 629 O MET A 63 -4.559 -1.073 5.646 1.00 0.00 O ATOM 630 CB MET A 63 -5.490 0.384 2.823 1.00 0.00 C ATOM 631 CG MET A 63 -6.270 0.511 1.538 1.00 0.00 C ATOM 632 SD MET A 63 -6.400 2.223 0.940 1.00 0.00 S ATOM 633 CE MET A 63 -4.680 2.647 0.618 1.00 0.00 C ATOM 0 H MET A 63 -7.408 -1.008 3.796 1.00 0.00 H new ATOM 0 HA MET A 63 -5.011 -1.659 2.515 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.976 0.990 3.587 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.495 0.802 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.794 -0.099 0.771 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.272 0.109 1.688 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.492 3.672 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.029 1.969 1.170 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.477 2.557 -0.449 1.00 0.00 H new ATOM 643 N ILE A 64 -3.046 -1.266 3.973 1.00 0.00 N ATOM 644 CA ILE A 64 -1.786 -1.352 4.743 1.00 0.00 C ATOM 645 C ILE A 64 -1.711 -0.434 6.006 1.00 0.00 C ATOM 646 O ILE A 64 -2.203 0.689 6.015 1.00 0.00 O ATOM 647 CB ILE A 64 -0.603 -1.032 3.785 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.664 -0.690 4.550 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.969 0.043 2.773 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.785 -0.192 3.698 1.00 0.00 C ATOM 0 H ILE A 64 -2.878 -1.339 2.970 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.734 -2.368 5.135 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.394 -1.939 3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.429 0.067 5.298 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.999 -1.577 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.116 0.237 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.813 -0.295 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.241 0.959 3.297 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.649 0.028 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.052 -0.954 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.473 0.715 3.180 1.00 0.00 H new ATOM 662 N SER A 65 -1.032 -0.907 7.037 1.00 0.00 N ATOM 663 CA SER A 65 -0.926 -0.176 8.256 1.00 0.00 C ATOM 664 C SER A 65 0.416 -0.424 8.918 1.00 0.00 C ATOM 665 O SER A 65 0.747 -1.559 9.292 1.00 0.00 O ATOM 666 CB SER A 65 -2.064 -0.562 9.174 1.00 0.00 C ATOM 667 OG SER A 65 -1.947 0.012 10.462 1.00 0.00 O ATOM 0 H SER A 65 -0.547 -1.804 7.038 1.00 0.00 H new ATOM 0 HA SER A 65 -0.992 0.890 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.008 -0.250 8.726 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.098 -1.648 9.266 1.00 0.00 H new ATOM 0 HG SER A 65 -1.975 0.989 10.389 1.00 0.00 H new ATOM 673 N ILE A 66 1.131 0.650 9.142 1.00 0.00 N ATOM 674 CA ILE A 66 2.451 0.586 9.661 1.00 0.00 C ATOM 675 C ILE A 66 2.472 0.852 11.132 1.00 0.00 C ATOM 676 O ILE A 66 2.053 1.914 11.611 1.00 0.00 O ATOM 677 CB ILE A 66 3.350 1.599 8.949 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.247 1.332 7.446 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.771 1.467 9.463 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.099 2.155 6.544 1.00 0.00 C ATOM 0 H ILE A 66 0.799 1.598 8.963 1.00 0.00 H new ATOM 0 HA ILE A 66 2.825 -0.423 9.487 1.00 0.00 H new ATOM 0 HB ILE A 66 3.037 2.624 9.147 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.488 0.283 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.208 1.473 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.410 2.189 8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.789 1.658 10.536 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.136 0.459 9.268 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.925 1.860 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.848 3.209 6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.149 2.000 6.793 1.00 0.00 H new ATOM 692 N HIS A 67 2.922 -0.123 11.854 1.00 0.00 N ATOM 693 CA HIS A 67 3.072 0.010 13.265 1.00 0.00 C ATOM 694 C HIS A 67 4.531 -0.018 13.651 1.00 0.00 C ATOM 695 O HIS A 67 4.858 0.165 14.819 1.00 0.00 O ATOM 696 CB HIS A 67 2.263 -1.051 14.034 1.00 0.00 C ATOM 697 CG HIS A 67 0.775 -0.877 13.904 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.021 -0.381 14.907 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.056 -1.121 12.867 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.261 -0.325 14.488 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.312 -0.773 13.256 1.00 0.00 N ATOM 0 H HIS A 67 3.195 -1.032 11.482 1.00 0.00 H new ATOM 0 HA HIS A 67 2.665 0.980 13.550 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.539 -2.041 13.671 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.535 -1.011 15.089 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.226 -1.520 11.904 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.103 0.032 15.063 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.154 -0.848 12.685 1.00 0.00 H new ATOM 710 N ASN A 68 5.438 -0.174 12.654 1.00 0.00 N ATOM 711 CA ASN A 68 6.886 -0.237 12.942 1.00 0.00 C ATOM 712 C ASN A 68 7.654 0.022 11.679 1.00 0.00 C ATOM 713 O ASN A 68 7.103 -0.069 10.596 1.00 0.00 O ATOM 714 CB ASN A 68 7.357 -1.634 13.431 1.00 0.00 C ATOM 715 CG ASN A 68 6.745 -2.190 14.685 1.00 0.00 C ATOM 716 OD1 ASN A 68 7.227 -1.974 15.797 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.707 -2.942 14.508 1.00 0.00 N ATOM 0 H ASN A 68 5.196 -0.256 11.666 1.00 0.00 H new ATOM 0 HA ASN A 68 7.064 0.503 13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.175 -2.347 12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.436 -1.589 13.579 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.254 -3.383 15.309 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.341 -3.093 13.568 1.00 0.00 H new ATOM 724 N GLU A 69 8.950 0.286 11.826 1.00 0.00 N ATOM 725 CA GLU A 69 9.862 0.432 10.711 1.00 0.00 C ATOM 726 C GLU A 69 9.931 -0.886 9.991 1.00 0.00 C ATOM 727 O GLU A 69 10.176 -0.946 8.818 1.00 0.00 O ATOM 728 CB GLU A 69 11.259 0.771 11.207 1.00 0.00 C ATOM 729 CG GLU A 69 11.882 -0.313 12.040 1.00 0.00 C ATOM 730 CD GLU A 69 13.246 0.011 12.538 1.00 0.00 C ATOM 731 OE1 GLU A 69 13.373 0.587 13.632 1.00 0.00 O ATOM 732 OE2 GLU A 69 14.230 -0.353 11.864 1.00 0.00 O ATOM 0 H GLU A 69 9.395 0.405 12.736 1.00 0.00 H new ATOM 0 HA GLU A 69 9.508 1.230 10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.901 0.973 10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.214 1.688 11.794 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.235 -0.518 12.893 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.930 -1.228 11.449 1.00 0.00 H new ATOM 739 N GLU A 70 9.683 -1.936 10.756 1.00 0.00 N ATOM 740 CA GLU A 70 9.653 -3.240 10.342 1.00 0.00 C ATOM 741 C GLU A 70 8.639 -3.400 9.250 1.00 0.00 C ATOM 742 O GLU A 70 8.952 -3.906 8.210 1.00 0.00 O ATOM 743 CB GLU A 70 9.295 -4.017 11.568 1.00 0.00 C ATOM 744 CG GLU A 70 10.431 -4.188 12.542 1.00 0.00 C ATOM 745 CD GLU A 70 11.577 -4.975 11.968 1.00 0.00 C ATOM 746 OE1 GLU A 70 11.581 -6.204 12.109 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.522 -4.377 11.397 1.00 0.00 O ATOM 0 H GLU A 70 9.488 -1.840 11.753 1.00 0.00 H new ATOM 0 HA GLU A 70 10.599 -3.585 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.469 -3.517 12.074 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.936 -5.002 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.789 -3.206 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.064 -4.690 13.437 1.00 0.00 H new ATOM 754 N GLU A 71 7.442 -2.904 9.502 1.00 0.00 N ATOM 755 CA GLU A 71 6.357 -2.918 8.536 1.00 0.00 C ATOM 756 C GLU A 71 6.770 -2.008 7.394 1.00 0.00 C ATOM 757 O GLU A 71 6.863 -2.438 6.284 1.00 0.00 O ATOM 758 CB GLU A 71 5.098 -2.361 9.211 1.00 0.00 C ATOM 759 CG GLU A 71 3.724 -2.767 8.659 1.00 0.00 C ATOM 760 CD GLU A 71 3.332 -2.267 7.359 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.957 -1.373 6.886 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.268 -2.725 6.868 1.00 0.00 O ATOM 0 H GLU A 71 7.192 -2.475 10.393 1.00 0.00 H new ATOM 0 HA GLU A 71 6.152 -3.924 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.131 -2.650 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.159 -1.273 9.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.690 -3.856 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.969 -2.449 9.379 1.00 0.00 H new ATOM 769 N ASN A 72 7.169 -0.783 7.742 1.00 0.00 N ATOM 770 CA ASN A 72 7.465 0.259 6.778 1.00 0.00 C ATOM 771 C ASN A 72 8.478 -0.223 5.738 1.00 0.00 C ATOM 772 O ASN A 72 8.246 -0.166 4.537 1.00 0.00 O ATOM 773 CB ASN A 72 8.022 1.494 7.509 1.00 0.00 C ATOM 774 CG ASN A 72 8.346 2.610 6.554 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.528 3.448 6.283 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.561 2.653 6.082 1.00 0.00 N ATOM 0 H ASN A 72 7.294 -0.492 8.711 1.00 0.00 H new ATOM 0 HA ASN A 72 6.542 0.520 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.293 1.842 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.920 1.216 8.061 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.841 3.414 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.231 1.926 6.332 1.00 0.00 H new ATOM 783 N ALA A 73 9.571 -0.732 6.234 1.00 0.00 N ATOM 784 CA ALA A 73 10.663 -1.217 5.422 1.00 0.00 C ATOM 785 C ALA A 73 10.347 -2.580 4.783 1.00 0.00 C ATOM 786 O ALA A 73 10.948 -2.959 3.761 1.00 0.00 O ATOM 787 CB ALA A 73 11.903 -1.280 6.259 1.00 0.00 C ATOM 0 H ALA A 73 9.736 -0.825 7.236 1.00 0.00 H new ATOM 0 HA ALA A 73 10.819 -0.523 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.732 -1.645 5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.139 -0.285 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.741 -1.956 7.099 1.00 0.00 H new ATOM 793 N PHE A 74 9.429 -3.314 5.395 1.00 0.00 N ATOM 794 CA PHE A 74 8.915 -4.556 4.843 1.00 0.00 C ATOM 795 C PHE A 74 8.265 -4.266 3.528 1.00 0.00 C ATOM 796 O PHE A 74 8.719 -4.709 2.495 1.00 0.00 O ATOM 797 CB PHE A 74 7.855 -5.146 5.775 1.00 0.00 C ATOM 798 CG PHE A 74 6.982 -6.161 5.239 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.425 -7.392 4.812 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.700 -5.868 5.169 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.524 -8.300 4.314 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.820 -6.706 4.698 1.00 0.00 C ATOM 803 CZ PHE A 74 5.197 -7.946 4.252 1.00 0.00 C ATOM 0 H PHE A 74 9.018 -3.062 6.294 1.00 0.00 H new ATOM 0 HA PHE A 74 9.738 -5.261 4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.366 -5.566 6.641 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.234 -4.327 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.474 -7.642 4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.367 -4.900 5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.851 -9.273 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.779 -6.419 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.463 -8.634 3.858 1.00 0.00 H new ATOM 813 N ILE A 75 7.290 -3.388 3.599 1.00 0.00 N ATOM 814 CA ILE A 75 6.348 -3.039 2.521 1.00 0.00 C ATOM 815 C ILE A 75 7.125 -2.560 1.398 1.00 0.00 C ATOM 816 O ILE A 75 6.953 -2.964 0.258 1.00 0.00 O ATOM 817 CB ILE A 75 5.466 -1.872 3.000 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.819 -2.186 4.290 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.426 -1.501 2.028 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.864 -3.321 4.271 1.00 0.00 C ATOM 0 H ILE A 75 7.110 -2.860 4.453 1.00 0.00 H new ATOM 0 HA ILE A 75 5.738 -3.901 2.251 1.00 0.00 H new ATOM 0 HB ILE A 75 6.141 -1.024 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.597 -2.402 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.292 -1.297 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.837 -0.673 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.895 -1.199 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.774 -2.356 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.448 -3.464 5.269 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.058 -3.107 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.383 -4.228 3.961 1.00 0.00 H new ATOM 832 N LEU A 76 8.040 -1.788 1.782 1.00 0.00 N ATOM 833 CA LEU A 76 8.923 -1.115 0.972 1.00 0.00 C ATOM 834 C LEU A 76 9.654 -2.036 0.008 1.00 0.00 C ATOM 835 O LEU A 76 9.726 -1.771 -1.160 1.00 0.00 O ATOM 836 CB LEU A 76 9.884 -0.415 1.870 1.00 0.00 C ATOM 837 CG LEU A 76 10.096 0.997 1.496 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.905 1.751 1.923 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.344 1.614 2.014 1.00 0.00 C ATOM 0 H LEU A 76 8.200 -1.597 2.771 1.00 0.00 H new ATOM 0 HA LEU A 76 8.379 -0.410 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.516 -0.463 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.840 -0.938 1.849 1.00 0.00 H new ATOM 0 HG LEU A 76 10.232 1.033 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.027 2.802 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.023 1.352 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.782 1.657 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.402 2.651 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.341 1.581 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.206 1.063 1.637 1.00 0.00 H new ATOM 851 N ASP A 77 10.186 -3.091 0.499 1.00 0.00 N ATOM 852 CA ASP A 77 10.907 -4.059 -0.360 1.00 0.00 C ATOM 853 C ASP A 77 9.958 -5.040 -0.932 1.00 0.00 C ATOM 854 O ASP A 77 10.069 -5.424 -2.071 1.00 0.00 O ATOM 855 CB ASP A 77 11.907 -4.814 0.470 1.00 0.00 C ATOM 856 CG ASP A 77 12.818 -5.733 -0.310 1.00 0.00 C ATOM 857 OD1 ASP A 77 13.876 -5.264 -0.776 1.00 0.00 O ATOM 858 OD2 ASP A 77 12.531 -6.933 -0.418 1.00 0.00 O ATOM 0 H ASP A 77 10.157 -3.340 1.488 1.00 0.00 H new ATOM 0 HA ASP A 77 11.403 -3.510 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.520 -4.096 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.369 -5.404 1.212 1.00 0.00 H new ATOM 863 N THR A 78 8.953 -5.323 -0.169 1.00 0.00 N ATOM 864 CA THR A 78 8.066 -6.429 -0.406 1.00 0.00 C ATOM 865 C THR A 78 7.225 -6.177 -1.593 1.00 0.00 C ATOM 866 O THR A 78 6.880 -7.095 -2.363 1.00 0.00 O ATOM 867 CB THR A 78 7.232 -6.667 0.840 1.00 0.00 C ATOM 868 OG1 THR A 78 8.096 -7.134 1.867 1.00 0.00 O ATOM 869 CG2 THR A 78 6.114 -7.632 0.621 1.00 0.00 C ATOM 0 H THR A 78 8.715 -4.780 0.661 1.00 0.00 H new ATOM 0 HA THR A 78 8.643 -7.330 -0.615 1.00 0.00 H new ATOM 0 HB THR A 78 6.762 -5.725 1.122 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.569 -7.353 2.664 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.556 -7.759 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.449 -7.249 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.520 -8.594 0.307 1.00 0.00 H new ATOM 877 N LEU A 79 6.958 -4.940 -1.757 1.00 0.00 N ATOM 878 CA LEU A 79 6.221 -4.456 -2.804 1.00 0.00 C ATOM 879 C LEU A 79 6.862 -4.867 -4.121 1.00 0.00 C ATOM 880 O LEU A 79 6.266 -5.545 -4.932 1.00 0.00 O ATOM 881 CB LEU A 79 6.211 -2.976 -2.694 1.00 0.00 C ATOM 882 CG LEU A 79 4.894 -2.311 -2.842 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.081 -2.958 -3.926 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.164 -2.306 -1.494 1.00 0.00 C ATOM 0 H LEU A 79 7.277 -4.214 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 79 5.206 -4.854 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.624 -2.703 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.884 -2.573 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 79 5.047 -1.275 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.120 -2.450 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.616 -2.887 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.916 -4.007 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.196 -1.817 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.015 -3.332 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.761 -1.766 -0.759 1.00 0.00 H new ATOM 896 N LYS A 80 8.074 -4.445 -4.279 1.00 0.00 N ATOM 897 CA LYS A 80 8.886 -4.750 -5.441 1.00 0.00 C ATOM 898 C LYS A 80 9.367 -6.216 -5.488 1.00 0.00 C ATOM 899 O LYS A 80 9.586 -6.768 -6.565 1.00 0.00 O ATOM 900 CB LYS A 80 10.064 -3.814 -5.436 1.00 0.00 C ATOM 901 CG LYS A 80 9.624 -2.387 -5.404 1.00 0.00 C ATOM 902 CD LYS A 80 9.954 -1.777 -4.095 1.00 0.00 C ATOM 903 CE LYS A 80 11.479 -1.687 -3.877 1.00 0.00 C ATOM 904 NZ LYS A 80 11.865 -0.933 -2.661 1.00 0.00 N ATOM 0 H LYS A 80 8.552 -3.862 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 80 8.271 -4.615 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.693 -4.022 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.674 -3.989 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.111 -1.831 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.550 -2.326 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.518 -0.779 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.506 -2.367 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.888 -2.695 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.934 -1.213 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.685 -1.391 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.113 0.043 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.069 -0.921 -1.992 1.00 0.00 H new ATOM 918 N LYS A 81 9.572 -6.827 -4.330 1.00 0.00 N ATOM 919 CA LYS A 81 10.047 -8.141 -4.246 1.00 0.00 C ATOM 920 C LYS A 81 9.024 -9.196 -4.762 1.00 0.00 C ATOM 921 O LYS A 81 9.398 -10.155 -5.451 1.00 0.00 O ATOM 922 CB LYS A 81 10.503 -8.393 -2.814 1.00 0.00 C ATOM 923 CG LYS A 81 9.492 -9.010 -1.961 1.00 0.00 C ATOM 924 CD LYS A 81 9.978 -9.184 -0.533 1.00 0.00 C ATOM 925 CE LYS A 81 11.101 -10.166 -0.484 1.00 0.00 C ATOM 926 NZ LYS A 81 11.403 -10.591 0.891 1.00 0.00 N ATOM 0 H LYS A 81 9.401 -6.389 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 81 10.899 -8.258 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.385 -9.033 -2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.807 -7.445 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.591 -8.396 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.217 -9.982 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.307 -8.224 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.158 -9.527 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.846 -11.039 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.991 -9.721 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.189 -11.272 0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.672 -9.763 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.562 -11.039 1.308 1.00 0.00 H new ATOM 940 N GLN A 82 7.758 -9.038 -4.417 1.00 0.00 N ATOM 941 CA GLN A 82 6.742 -9.986 -4.835 1.00 0.00 C ATOM 942 C GLN A 82 5.944 -9.469 -6.002 1.00 0.00 C ATOM 943 O GLN A 82 5.647 -10.201 -6.954 1.00 0.00 O ATOM 944 CB GLN A 82 5.795 -10.230 -3.708 1.00 0.00 C ATOM 945 CG GLN A 82 4.762 -11.334 -3.981 1.00 0.00 C ATOM 946 CD GLN A 82 5.317 -12.754 -3.969 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.279 -13.027 -3.121 1.00 0.00 O flip ATOM 948 NE2 GLN A 82 4.822 -13.620 -4.693 1.00 0.00 N flip ATOM 0 H GLN A 82 7.410 -8.264 -3.850 1.00 0.00 H new ATOM 0 HA GLN A 82 7.253 -10.902 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.367 -10.495 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.268 -9.303 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.971 -11.263 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.302 -11.148 -4.952 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.075 -13.376 -5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.160 -14.581 -4.643 1.00 0.00 H new ATOM 957 N TRP A 83 5.586 -8.224 -5.922 1.00 0.00 N ATOM 958 CA TRP A 83 4.688 -7.632 -6.866 1.00 0.00 C ATOM 959 C TRP A 83 5.468 -6.650 -7.738 1.00 0.00 C ATOM 960 O TRP A 83 6.691 -6.758 -7.836 1.00 0.00 O ATOM 961 CB TRP A 83 3.535 -6.939 -6.087 1.00 0.00 C ATOM 962 CG TRP A 83 2.896 -7.830 -5.026 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.150 -8.967 -5.195 1.00 0.00 C ATOM 964 CD2 TRP A 83 2.955 -7.609 -3.627 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.765 -9.453 -3.951 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.247 -8.625 -2.988 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.543 -6.642 -2.878 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.122 -8.684 -1.604 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.430 -6.672 -1.510 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.723 -7.687 -0.872 1.00 0.00 C ATOM 0 H TRP A 83 5.911 -7.586 -5.195 1.00 0.00 H new ATOM 0 HA TRP A 83 4.247 -8.383 -7.522 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.920 -6.038 -5.610 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.768 -6.622 -6.794 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.900 -9.415 -6.145 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.211 -10.294 -3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.099 -5.850 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.575 -9.481 -1.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.897 -5.897 -0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.646 -7.692 0.205 1.00 0.00 H new ATOM 981 N LYS A 84 4.777 -5.728 -8.373 1.00 0.00 N ATOM 982 CA LYS A 84 5.419 -4.757 -9.255 1.00 0.00 C ATOM 983 C LYS A 84 6.285 -3.776 -8.478 1.00 0.00 C ATOM 984 O LYS A 84 7.516 -3.818 -8.526 1.00 0.00 O ATOM 985 CB LYS A 84 4.370 -3.987 -10.057 1.00 0.00 C ATOM 986 CG LYS A 84 3.432 -4.846 -10.893 1.00 0.00 C ATOM 987 CD LYS A 84 2.352 -3.995 -11.558 1.00 0.00 C ATOM 988 CE LYS A 84 2.940 -2.992 -12.547 1.00 0.00 C ATOM 989 NZ LYS A 84 1.919 -2.090 -13.114 1.00 0.00 N ATOM 0 H LYS A 84 3.765 -5.624 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 84 6.062 -5.315 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.773 -3.392 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.883 -3.288 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.002 -5.376 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.966 -5.602 -10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.647 -4.645 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.789 -3.461 -10.792 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.705 -2.399 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.433 -3.531 -13.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.377 -1.397 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.229 -2.646 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.430 -1.591 -12.343 1.00 0.00 H new ATOM 1003 N GLY A 85 5.633 -2.911 -7.785 1.00 0.00 N ATOM 1004 CA GLY A 85 6.265 -1.911 -7.047 1.00 0.00 C ATOM 1005 C GLY A 85 6.331 -0.625 -7.752 1.00 0.00 C ATOM 1006 O GLY A 85 7.044 -0.459 -8.747 1.00 0.00 O ATOM 0 H GLY A 85 4.615 -2.891 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.735 -1.774 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.276 -2.235 -6.800 1.00 0.00 H new ATOM 1010 N PRO A 86 5.568 0.272 -7.273 1.00 0.00 N ATOM 1011 CA PRO A 86 5.488 1.619 -7.750 1.00 0.00 C ATOM 1012 C PRO A 86 6.498 2.518 -7.034 1.00 0.00 C ATOM 1013 O PRO A 86 7.284 2.031 -6.233 1.00 0.00 O ATOM 1014 CB PRO A 86 4.073 1.952 -7.399 1.00 0.00 C ATOM 1015 CG PRO A 86 3.788 1.208 -6.146 1.00 0.00 C ATOM 1016 CD PRO A 86 4.714 0.072 -6.107 1.00 0.00 C ATOM 0 HA PRO A 86 5.723 1.752 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.947 3.025 -7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.391 1.655 -8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.926 1.849 -5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.754 0.864 -6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.294 0.062 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.182 -0.878 -6.160 1.00 0.00 H new ATOM 1024 N ASP A 87 6.518 3.796 -7.361 1.00 0.00 N ATOM 1025 CA ASP A 87 7.406 4.751 -6.659 1.00 0.00 C ATOM 1026 C ASP A 87 6.982 4.886 -5.222 1.00 0.00 C ATOM 1027 O ASP A 87 7.813 4.875 -4.306 1.00 0.00 O ATOM 1028 CB ASP A 87 7.451 6.121 -7.327 1.00 0.00 C ATOM 1029 CG ASP A 87 8.290 6.155 -8.589 1.00 0.00 C ATOM 1030 OD1 ASP A 87 7.910 5.522 -9.602 1.00 0.00 O ATOM 1031 OD2 ASP A 87 9.368 6.804 -8.588 1.00 0.00 O ATOM 0 H ASP A 87 5.944 4.209 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 87 8.416 4.344 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.434 6.432 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.847 6.848 -6.618 1.00 0.00 H new ATOM 1036 N ASP A 88 5.696 5.019 -5.012 1.00 0.00 N ATOM 1037 CA ASP A 88 5.147 5.009 -3.677 1.00 0.00 C ATOM 1038 C ASP A 88 3.891 4.219 -3.733 1.00 0.00 C ATOM 1039 O ASP A 88 3.211 4.181 -4.770 1.00 0.00 O ATOM 1040 CB ASP A 88 4.793 6.398 -3.091 1.00 0.00 C ATOM 1041 CG ASP A 88 5.766 7.509 -3.350 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.610 8.219 -4.355 1.00 0.00 O ATOM 1043 OD2 ASP A 88 6.649 7.755 -2.539 1.00 0.00 O ATOM 0 H ASP A 88 5.005 5.136 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 88 5.919 4.596 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.823 6.697 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.677 6.292 -2.012 1.00 0.00 H new ATOM 1048 N ILE A 89 3.608 3.565 -2.675 1.00 0.00 N ATOM 1049 CA ILE A 89 2.393 2.791 -2.523 1.00 0.00 C ATOM 1050 C ILE A 89 1.472 3.522 -1.624 1.00 0.00 C ATOM 1051 O ILE A 89 1.931 4.268 -0.763 1.00 0.00 O ATOM 1052 CB ILE A 89 2.645 1.437 -1.894 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.233 1.594 -0.490 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.547 0.679 -2.779 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.738 1.596 -0.369 1.00 0.00 C ATOM 0 H ILE A 89 4.216 3.538 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 89 1.977 2.646 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 89 1.708 0.892 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.859 2.527 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.845 0.787 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.743 -0.302 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.080 0.557 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.486 1.220 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.019 1.714 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.135 0.654 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.149 2.422 -0.950 1.00 0.00 H new ATOM 1067 N LEU A 90 0.192 3.343 -1.776 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.677 4.032 -0.919 1.00 0.00 C ATOM 1069 C LEU A 90 -0.637 3.385 0.429 1.00 0.00 C ATOM 1070 O LEU A 90 -0.605 2.160 0.539 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.114 4.115 -1.468 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.793 5.473 -1.520 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.108 5.320 -2.170 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.003 6.045 -0.161 1.00 0.00 C ATOM 0 H LEU A 90 -0.248 2.739 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.338 5.065 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.106 3.709 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.738 3.455 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.147 6.150 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.607 6.288 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.972 4.936 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.719 4.623 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.491 7.016 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.631 5.373 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.040 6.165 0.336 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.592 4.209 1.426 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.643 3.761 2.763 1.00 0.00 C ATOM 1088 C LEU A 91 -2.053 3.627 3.064 1.00 0.00 C ATOM 1089 O LEU A 91 -2.897 4.286 2.463 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.112 4.795 3.716 1.00 0.00 C ATOM 1091 CG LEU A 91 1.084 4.462 4.617 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.055 3.550 3.949 1.00 0.00 C ATOM 1093 CD2 LEU A 91 1.775 5.736 5.038 1.00 0.00 C ATOM 0 H LEU A 91 -0.518 5.221 1.324 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.058 2.847 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.160 5.671 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.936 5.091 4.366 1.00 0.00 H new ATOM 0 HG LEU A 91 0.702 3.941 5.495 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.884 3.343 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.557 2.616 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.435 4.023 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.624 5.495 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.126 6.269 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.074 6.366 5.586 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.313 2.897 4.028 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.666 2.647 4.373 1.00 0.00 C ATOM 1107 C GLY A 92 -4.063 3.595 5.413 1.00 0.00 C ATOM 1108 O GLY A 92 -4.552 3.229 6.478 1.00 0.00 O ATOM 0 H GLY A 92 -1.619 2.441 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.306 2.755 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.783 1.623 4.729 1.00 0.00 H new ATOM 1112 N MET A 93 -3.843 4.819 5.100 1.00 0.00 N ATOM 1113 CA MET A 93 -3.973 5.850 5.967 1.00 0.00 C ATOM 1114 C MET A 93 -4.899 6.835 5.418 1.00 0.00 C ATOM 1115 O MET A 93 -4.752 7.259 4.271 1.00 0.00 O ATOM 1116 CB MET A 93 -2.638 6.445 6.231 1.00 0.00 C ATOM 1117 CG MET A 93 -2.660 7.790 6.834 1.00 0.00 C ATOM 1118 SD MET A 93 -1.047 8.566 6.825 1.00 0.00 S ATOM 1119 CE MET A 93 -0.057 7.356 7.670 1.00 0.00 C ATOM 0 H MET A 93 -3.551 5.108 4.166 1.00 0.00 H new ATOM 0 HA MET A 93 -4.380 5.496 6.914 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.084 5.777 6.891 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.087 6.494 5.292 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.366 8.418 6.290 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.021 7.720 7.860 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.445 7.824 8.517 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.696 6.549 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.688 6.952 6.984 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.831 7.223 6.197 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.778 8.118 5.717 1.00 0.00 C ATOM 1131 C PHE A 94 -6.779 9.325 6.517 1.00 0.00 C ATOM 1132 O PHE A 94 -6.589 9.289 7.729 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.152 7.492 5.590 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.852 7.055 6.825 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.503 5.912 7.372 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.891 7.770 7.378 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.104 5.398 8.449 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.527 7.279 8.494 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.110 6.069 9.019 1.00 0.00 C ATOM 0 H PHE A 94 -5.950 6.930 7.167 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.497 8.397 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.796 8.209 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.061 6.624 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.688 5.360 6.928 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.203 8.706 6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.781 4.451 8.855 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.337 7.828 8.952 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.599 5.665 9.893 1.00 0.00 H new ATOM 1149 N TYR A 95 -6.946 10.380 5.859 1.00 0.00 N ATOM 1150 CA TYR A 95 -6.957 11.637 6.501 1.00 0.00 C ATOM 1151 C TYR A 95 -8.364 11.982 6.848 1.00 0.00 C ATOM 1152 O TYR A 95 -9.151 12.375 6.000 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.270 12.746 5.668 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.289 14.096 6.341 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.801 14.236 7.609 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.814 15.210 5.717 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.823 15.432 8.263 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.840 16.434 6.359 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.342 16.537 7.636 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.378 17.744 8.293 1.00 0.00 O ATOM 0 H TYR A 95 -7.082 10.414 4.849 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.365 11.568 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.236 12.458 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.765 12.823 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.385 13.373 8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.209 15.124 4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.435 15.509 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.248 17.302 5.862 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.775 18.423 7.708 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.691 11.777 8.078 1.00 0.00 N ATOM 1171 CA ASP A 96 -9.980 12.099 8.561 1.00 0.00 C ATOM 1172 C ASP A 96 -9.964 13.561 8.775 1.00 0.00 C ATOM 1173 O ASP A 96 -9.212 14.029 9.590 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.218 11.444 9.877 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.628 11.621 10.370 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.905 12.607 11.035 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -12.471 10.756 10.105 1.00 0.00 O ATOM 0 H ASP A 96 -8.064 11.379 8.777 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.753 11.773 7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.998 10.380 9.793 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.527 11.855 10.613 1.00 0.00 H new ATOM 1182 N THR A 97 -10.719 14.277 8.039 1.00 0.00 N ATOM 1183 CA THR A 97 -10.684 15.716 8.093 1.00 0.00 C ATOM 1184 C THR A 97 -11.447 16.268 9.279 1.00 0.00 C ATOM 1185 O THR A 97 -11.268 17.415 9.684 1.00 0.00 O ATOM 1186 CB THR A 97 -11.220 16.276 6.795 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.501 15.671 6.514 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.263 15.946 5.681 1.00 0.00 C ATOM 0 H THR A 97 -11.390 13.897 7.371 1.00 0.00 H new ATOM 0 HA THR A 97 -9.647 16.026 8.226 1.00 0.00 H new ATOM 0 HB THR A 97 -11.331 17.357 6.877 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.856 16.031 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.645 16.348 4.742 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.289 16.387 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.161 14.864 5.598 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.262 15.438 9.842 1.00 0.00 N ATOM 1197 CA ASP A 98 -13.063 15.794 10.998 1.00 0.00 C ATOM 1198 C ASP A 98 -12.184 15.838 12.234 1.00 0.00 C ATOM 1199 O ASP A 98 -12.222 16.780 13.014 1.00 0.00 O ATOM 1200 CB ASP A 98 -14.155 14.765 11.171 1.00 0.00 C ATOM 1201 CG ASP A 98 -15.066 15.038 12.341 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -14.748 14.623 13.467 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -16.140 15.646 12.151 1.00 0.00 O ATOM 0 H ASP A 98 -12.402 14.480 9.520 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.510 16.777 10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.751 14.724 10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.700 13.783 11.298 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.381 14.814 12.377 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.412 14.681 13.487 1.00 0.00 C ATOM 1210 C ASP A 99 -9.183 15.422 13.109 1.00 0.00 C ATOM 1211 O ASP A 99 -8.395 15.853 13.950 1.00 0.00 O ATOM 1212 CB ASP A 99 -10.027 13.217 13.650 1.00 0.00 C ATOM 1213 CG ASP A 99 -9.126 12.923 14.837 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -9.387 13.408 15.953 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -8.183 12.127 14.685 1.00 0.00 O ATOM 0 H ASP A 99 -11.365 14.027 11.728 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.850 15.063 14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.937 12.625 13.748 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.526 12.884 12.741 1.00 0.00 H new ATOM 1220 N ALA A 100 -9.042 15.547 11.809 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.937 16.155 11.154 1.00 0.00 C ATOM 1222 C ALA A 100 -6.685 15.339 11.391 1.00 0.00 C ATOM 1223 O ALA A 100 -5.611 15.882 11.622 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.777 17.618 11.530 1.00 0.00 C ATOM 0 H ALA A 100 -9.744 15.202 11.154 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.130 16.160 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.919 18.037 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.677 18.166 11.251 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.619 17.702 12.605 1.00 0.00 H new ATOM 1230 N SER A 101 -6.801 14.019 11.274 1.00 0.00 N ATOM 1231 CA SER A 101 -5.659 13.215 11.500 1.00 0.00 C ATOM 1232 C SER A 101 -5.631 12.094 10.564 1.00 0.00 C ATOM 1233 O SER A 101 -6.623 11.770 9.897 1.00 0.00 O ATOM 1234 CB SER A 101 -5.663 12.660 12.884 1.00 0.00 C ATOM 1235 OG SER A 101 -4.355 12.352 13.338 1.00 0.00 O ATOM 0 H SER A 101 -7.656 13.519 11.031 1.00 0.00 H new ATOM 0 HA SER A 101 -4.783 13.848 11.359 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.122 13.380 13.562 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.277 11.760 12.912 1.00 0.00 H new ATOM 0 HG SER A 101 -4.401 11.993 14.249 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.530 11.484 10.560 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.299 10.370 9.751 1.00 0.00 C ATOM 1243 C PHE A 102 -4.618 9.141 10.522 1.00 0.00 C ATOM 1244 O PHE A 102 -4.434 9.106 11.733 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.910 10.354 9.216 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.610 11.507 8.391 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.015 11.531 7.085 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.941 12.589 8.926 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.750 12.638 6.315 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.672 13.685 8.171 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.074 13.720 6.868 1.00 0.00 C ATOM 0 H PHE A 102 -3.734 11.752 11.138 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.951 10.417 8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.206 10.316 10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.762 9.446 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.539 10.687 6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.627 12.564 9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.066 12.668 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.143 14.524 8.599 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.867 14.591 6.264 1.00 0.00 H new ATOM 1261 N LYS A 103 -5.096 8.132 9.850 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.672 6.996 10.524 1.00 0.00 C ATOM 1263 C LYS A 103 -5.400 5.791 9.731 1.00 0.00 C ATOM 1264 O LYS A 103 -5.236 5.890 8.538 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.193 7.192 10.617 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.553 8.530 11.175 1.00 0.00 C ATOM 1267 CD LYS A 103 -8.953 8.724 11.510 1.00 0.00 C ATOM 1268 CE LYS A 103 -9.043 9.874 12.475 1.00 0.00 C ATOM 1269 NZ LYS A 103 -8.381 9.609 13.775 1.00 0.00 N ATOM 0 H LYS A 103 -5.099 8.070 8.832 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.245 6.896 11.522 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.634 7.082 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.621 6.411 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.958 8.699 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.264 9.293 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.535 8.933 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.368 7.819 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.592 10.756 12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.093 10.108 12.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.609 10.373 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.718 8.703 14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.351 9.565 13.638 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.338 4.677 10.362 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.135 3.469 9.667 1.00 0.00 C ATOM 1285 C TRP A 104 -6.444 2.831 9.334 1.00 0.00 C ATOM 1286 O TRP A 104 -7.336 2.744 10.180 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.302 2.495 10.485 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.873 2.887 10.670 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.203 2.960 11.843 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.928 3.243 9.647 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.893 3.297 11.614 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.706 3.498 10.281 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.997 3.364 8.261 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.437 3.867 9.579 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.875 3.733 7.571 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.331 3.982 8.229 1.00 0.00 C ATOM 0 H TRP A 104 -5.427 4.581 11.374 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.598 3.707 8.749 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.762 2.382 11.467 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.336 1.518 10.003 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.636 2.780 12.816 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.172 3.383 12.330 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.922 3.169 7.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.372 4.055 10.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.923 3.834 6.497 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.198 4.272 7.653 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.551 2.354 8.110 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.693 1.572 7.692 1.00 0.00 C ATOM 1309 C PHE A 105 -7.723 0.261 8.451 1.00 0.00 C ATOM 1310 O PHE A 105 -8.740 -0.386 8.561 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.694 1.312 6.188 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.299 2.415 5.397 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.615 2.764 5.619 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.581 3.119 4.445 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.192 3.777 4.914 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.153 4.107 3.761 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.458 4.449 3.985 1.00 0.00 C ATOM 0 H PHE A 105 -5.852 2.498 7.382 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.590 2.149 7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.668 1.156 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.239 0.390 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.193 2.229 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.549 2.864 4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.223 4.045 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.580 4.645 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.908 5.254 3.423 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.590 -0.075 9.037 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.454 -1.279 9.878 1.00 0.00 C ATOM 1329 C ASP A 106 -7.307 -1.150 11.157 1.00 0.00 C ATOM 1330 O ASP A 106 -7.561 -2.136 11.858 1.00 0.00 O ATOM 1331 CB ASP A 106 -4.986 -1.459 10.233 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.675 -2.611 11.154 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.627 -3.764 10.697 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -4.424 -2.377 12.347 1.00 0.00 O ATOM 0 H ASP A 106 -5.731 0.469 8.952 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.811 -2.150 9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.421 -1.592 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.627 -0.540 10.696 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.766 0.093 11.419 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.638 0.485 12.554 1.00 0.00 C ATOM 1341 C ASN A 107 -7.850 0.739 13.811 1.00 0.00 C ATOM 1342 O ASN A 107 -8.368 1.302 14.782 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.816 -0.498 12.831 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.781 -0.650 11.664 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -11.734 0.129 11.518 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -10.570 -1.655 10.846 1.00 0.00 N ATOM 0 H ASN A 107 -7.531 0.886 10.822 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.096 1.421 12.234 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.408 -1.477 13.082 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.369 -0.150 13.704 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.201 -1.814 10.060 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.775 -2.277 10.996 1.00 0.00 H new ATOM 1353 N SER A 108 -6.603 0.370 13.784 1.00 0.00 N ATOM 1354 CA SER A 108 -5.749 0.509 14.924 1.00 0.00 C ATOM 1355 C SER A 108 -5.073 1.886 14.949 1.00 0.00 C ATOM 1356 O SER A 108 -5.112 2.632 13.952 1.00 0.00 O ATOM 1357 CB SER A 108 -4.724 -0.609 14.916 1.00 0.00 C ATOM 1358 OG SER A 108 -5.355 -1.872 14.728 1.00 0.00 O ATOM 0 H SER A 108 -6.149 -0.037 12.967 1.00 0.00 H new ATOM 0 HA SER A 108 -6.349 0.436 15.831 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.999 -0.438 14.121 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.172 -0.609 15.856 1.00 0.00 H new ATOM 0 HG SER A 108 -5.301 -2.127 13.783 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.478 2.208 16.084 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.802 3.487 16.323 1.00 0.00 C ATOM 1366 C ASN A 109 -2.585 3.636 15.444 1.00 0.00 C ATOM 1367 O ASN A 109 -1.882 2.650 15.148 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.315 3.561 17.780 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.708 4.870 18.169 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -3.038 5.927 17.632 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.850 4.823 19.124 1.00 0.00 N ATOM 0 H ASN A 109 -4.446 1.580 16.887 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.522 4.276 16.104 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.157 3.355 18.441 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.581 2.772 17.944 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.416 5.682 19.463 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.603 3.927 19.544 1.00 0.00 H new ATOM 1378 N MET A 110 -2.338 4.835 15.012 1.00 0.00 N ATOM 1379 CA MET A 110 -1.124 5.134 14.329 1.00 0.00 C ATOM 1380 C MET A 110 -0.020 5.274 15.353 1.00 0.00 C ATOM 1381 O MET A 110 0.175 6.328 15.959 1.00 0.00 O ATOM 1382 CB MET A 110 -1.274 6.373 13.483 1.00 0.00 C ATOM 1383 CG MET A 110 -0.067 6.700 12.628 1.00 0.00 C ATOM 1384 SD MET A 110 -0.446 7.954 11.403 1.00 0.00 S ATOM 1385 CE MET A 110 -1.823 7.157 10.582 1.00 0.00 C ATOM 0 H MET A 110 -2.971 5.627 15.124 1.00 0.00 H new ATOM 0 HA MET A 110 -0.869 4.325 13.645 1.00 0.00 H new ATOM 0 HB2 MET A 110 -2.141 6.251 12.834 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.481 7.221 14.136 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.747 7.047 13.264 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.281 5.796 12.128 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.997 7.634 9.617 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.595 6.102 10.429 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.717 7.249 11.199 1.00 0.00 H new ATOM 1395 N THR A 111 0.627 4.182 15.607 1.00 0.00 N ATOM 1396 CA THR A 111 1.635 4.117 16.596 1.00 0.00 C ATOM 1397 C THR A 111 3.017 4.486 16.033 1.00 0.00 C ATOM 1398 O THR A 111 3.812 5.143 16.702 1.00 0.00 O ATOM 1399 CB THR A 111 1.631 2.712 17.218 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.721 1.726 16.166 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.336 2.482 18.015 1.00 0.00 C ATOM 0 H THR A 111 0.461 3.301 15.121 1.00 0.00 H new ATOM 0 HA THR A 111 1.420 4.853 17.371 1.00 0.00 H new ATOM 0 HB THR A 111 2.483 2.622 17.892 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.880 1.226 16.113 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.349 1.482 18.449 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.262 3.223 18.811 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.522 2.578 17.350 1.00 0.00 H new ATOM 1409 N PHE A 112 3.278 4.125 14.791 1.00 0.00 N ATOM 1410 CA PHE A 112 4.567 4.402 14.181 1.00 0.00 C ATOM 1411 C PHE A 112 4.383 5.300 12.997 1.00 0.00 C ATOM 1412 O PHE A 112 3.292 5.329 12.412 1.00 0.00 O ATOM 1413 CB PHE A 112 5.236 3.120 13.739 1.00 0.00 C ATOM 1414 CG PHE A 112 6.678 3.293 13.384 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.646 3.461 14.356 1.00 0.00 C ATOM 1416 CD2 PHE A 112 7.044 3.307 12.083 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.969 3.637 14.002 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.357 3.482 11.708 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.326 3.648 12.674 1.00 0.00 C ATOM 0 H PHE A 112 2.617 3.640 14.185 1.00 0.00 H new ATOM 0 HA PHE A 112 5.200 4.892 14.921 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.152 2.382 14.537 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.703 2.720 12.877 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.366 3.455 15.399 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.290 3.178 11.321 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.721 3.766 14.766 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.626 3.489 10.662 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.359 3.786 12.390 1.00 0.00 H new ATOM 1429 N ASP A 113 5.431 6.024 12.641 1.00 0.00 N ATOM 1430 CA ASP A 113 5.384 6.922 11.523 1.00 0.00 C ATOM 1431 C ASP A 113 6.730 7.179 10.953 1.00 0.00 C ATOM 1432 O ASP A 113 7.737 7.177 11.653 1.00 0.00 O ATOM 1433 CB ASP A 113 4.686 8.240 11.868 1.00 0.00 C ATOM 1434 CG ASP A 113 5.432 9.050 12.927 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.237 8.787 14.137 1.00 0.00 O ATOM 1436 OD2 ASP A 113 6.220 9.957 12.579 1.00 0.00 O ATOM 0 H ASP A 113 6.330 5.999 13.123 1.00 0.00 H new ATOM 0 HA ASP A 113 4.789 6.420 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.586 8.840 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.677 8.029 12.224 1.00 0.00 H new ATOM 1441 N LYS A 114 6.736 7.324 9.655 1.00 0.00 N ATOM 1442 CA LYS A 114 7.896 7.699 8.920 1.00 0.00 C ATOM 1443 C LYS A 114 7.519 8.872 8.045 1.00 0.00 C ATOM 1444 O LYS A 114 7.430 8.755 6.837 1.00 0.00 O ATOM 1445 CB LYS A 114 8.328 6.562 8.022 1.00 0.00 C ATOM 1446 CG LYS A 114 8.775 5.313 8.717 1.00 0.00 C ATOM 1447 CD LYS A 114 10.151 5.446 9.318 1.00 0.00 C ATOM 1448 CE LYS A 114 11.214 5.644 8.240 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.181 4.642 7.197 1.00 0.00 N ATOM 0 H LYS A 114 5.911 7.179 9.073 1.00 0.00 H new ATOM 0 HA LYS A 114 8.707 7.948 9.604 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.498 6.310 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.143 6.914 7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.062 5.063 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.771 4.485 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.168 6.290 10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.383 4.554 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.083 6.628 7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.199 5.636 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.113 4.588 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.945 3.718 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.462 4.899 6.491 1.00 0.00 H new ATOM 1463 N TRP A 115 7.277 9.980 8.648 1.00 0.00 N ATOM 1464 CA TRP A 115 6.848 11.148 7.916 1.00 0.00 C ATOM 1465 C TRP A 115 7.999 11.903 7.331 1.00 0.00 C ATOM 1466 O TRP A 115 9.139 11.802 7.800 1.00 0.00 O ATOM 1467 CB TRP A 115 6.023 12.081 8.785 1.00 0.00 C ATOM 1468 CG TRP A 115 4.684 11.585 9.100 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.231 11.218 10.286 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.628 11.428 8.192 1.00 0.00 C ATOM 1471 NE1 TRP A 115 2.923 10.822 10.195 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.531 10.945 8.902 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.511 11.650 6.845 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.319 10.677 8.295 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.330 11.390 6.244 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.240 10.911 6.953 1.00 0.00 C ATOM 0 H TRP A 115 7.366 10.117 9.655 1.00 0.00 H new ATOM 0 HA TRP A 115 6.227 10.780 7.099 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.560 12.260 9.717 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.932 13.043 8.280 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.810 11.229 11.198 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.343 10.492 10.967 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.348 12.026 6.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.476 10.301 8.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.232 11.560 5.182 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.312 10.720 6.435 1.00 0.00 H new ATOM 1487 N THR A 116 7.714 12.623 6.299 1.00 0.00 N ATOM 1488 CA THR A 116 8.658 13.486 5.708 1.00 0.00 C ATOM 1489 C THR A 116 7.996 14.840 5.565 1.00 0.00 C ATOM 1490 O THR A 116 6.766 14.956 5.731 1.00 0.00 O ATOM 1491 CB THR A 116 9.139 12.964 4.330 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.257 13.727 3.878 1.00 0.00 O ATOM 1493 CG2 THR A 116 8.042 12.991 3.265 1.00 0.00 C ATOM 0 H THR A 116 6.802 12.623 5.841 1.00 0.00 H new ATOM 0 HA THR A 116 9.546 13.547 6.337 1.00 0.00 H new ATOM 0 HB THR A 116 9.425 11.922 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.082 13.222 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.440 12.614 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.210 12.364 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.693 14.015 3.128 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.106 18.919 3.240 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.359 18.102 2.347 1.00 0.00 C ATOM 1595 C LEU A 124 -4.277 17.075 1.723 1.00 0.00 C ATOM 1596 O LEU A 124 -3.888 15.972 1.400 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.126 17.459 3.043 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.221 17.050 4.537 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.160 18.240 5.485 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.435 16.191 4.812 1.00 0.00 C ATOM 0 HA LEU A 124 -2.951 18.725 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.859 16.567 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.295 18.158 2.948 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.335 16.447 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.231 17.889 6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.217 18.768 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.989 18.916 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.462 15.928 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.338 16.743 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.381 15.282 4.213 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.487 17.497 1.488 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.540 16.641 0.979 1.00 0.00 C ATOM 1614 C VAL A 125 -6.376 16.454 -0.544 1.00 0.00 C ATOM 1615 O VAL A 125 -6.967 15.555 -1.159 1.00 0.00 O ATOM 1616 CB VAL A 125 -7.937 17.260 1.329 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.111 16.404 0.868 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.035 17.527 2.823 1.00 0.00 C ATOM 0 H VAL A 125 -5.782 18.461 1.645 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.474 15.659 1.448 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.005 18.199 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.047 16.891 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.069 16.282 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.058 15.426 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.010 17.957 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -7.913 16.591 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.252 18.225 3.120 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.530 17.278 -1.123 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.256 17.256 -2.571 1.00 0.00 C ATOM 1630 C ASP A 126 -4.306 16.112 -2.927 1.00 0.00 C ATOM 1631 O ASP A 126 -4.183 15.692 -4.089 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.676 18.605 -2.994 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.377 18.722 -4.458 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.326 18.839 -5.271 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.180 18.724 -4.830 1.00 0.00 O ATOM 0 H ASP A 126 -5.004 17.989 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.187 17.085 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.378 19.391 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.758 18.783 -2.433 1.00 0.00 H new ATOM 1640 N THR A 127 -3.702 15.586 -1.922 1.00 0.00 N ATOM 1641 CA THR A 127 -2.761 14.526 -2.033 1.00 0.00 C ATOM 1642 C THR A 127 -3.190 13.423 -1.084 1.00 0.00 C ATOM 1643 O THR A 127 -4.184 13.581 -0.363 1.00 0.00 O ATOM 1644 CB THR A 127 -1.322 15.043 -1.709 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.355 13.971 -1.618 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.315 15.859 -0.441 1.00 0.00 C ATOM 0 H THR A 127 -3.855 15.893 -0.961 1.00 0.00 H new ATOM 0 HA THR A 127 -2.734 14.136 -3.050 1.00 0.00 H new ATOM 0 HB THR A 127 -1.025 15.679 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.529 14.344 -1.416 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.302 16.207 -0.238 1.00 0.00 H new ATOM 0 HG22 THR A 127 -1.977 16.717 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.661 15.244 0.390 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.478 12.333 -1.075 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.808 11.236 -0.222 1.00 0.00 C ATOM 1656 C CYS A 128 -1.572 10.834 0.532 1.00 0.00 C ATOM 1657 O CYS A 128 -0.560 11.544 0.479 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.291 10.056 -1.013 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.054 10.433 -2.604 1.00 0.00 S ATOM 0 H CYS A 128 -1.655 12.183 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.604 11.547 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.447 9.389 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -4.012 9.507 -0.407 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.602 9.684 1.170 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.463 9.264 1.889 1.00 0.00 C ATOM 1666 C ALA A 129 0.098 8.083 1.215 1.00 0.00 C ATOM 1667 O ALA A 129 -0.543 7.053 1.117 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.869 8.856 3.312 1.00 0.00 C ATOM 0 H ALA A 129 -2.398 9.046 1.195 1.00 0.00 H new ATOM 0 HA ALA A 129 0.264 10.075 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.014 8.532 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.322 9.708 3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.588 8.038 3.265 1.00 0.00 H new ATOM 1674 N PHE A 130 1.296 8.192 0.786 1.00 0.00 N ATOM 1675 CA PHE A 130 1.921 7.094 0.190 1.00 0.00 C ATOM 1676 C PHE A 130 3.229 6.928 0.818 1.00 0.00 C ATOM 1677 O PHE A 130 3.931 7.910 1.076 1.00 0.00 O ATOM 1678 CB PHE A 130 2.165 7.228 -1.318 1.00 0.00 C ATOM 1679 CG PHE A 130 0.978 7.259 -2.283 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.125 8.062 -2.086 1.00 0.00 C ATOM 1681 CD2 PHE A 130 1.015 6.471 -3.427 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.160 8.073 -3.007 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.017 6.481 -4.339 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.104 7.283 -4.127 1.00 0.00 C ATOM 0 H PHE A 130 1.861 9.039 0.840 1.00 0.00 H new ATOM 0 HA PHE A 130 1.246 6.250 0.331 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.735 8.144 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.806 6.399 -1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.183 8.687 -1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.871 5.837 -3.605 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.017 8.708 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 130 0.032 5.857 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 130 -1.916 7.294 -4.839 1.00 0.00 H new ATOM 1694 N LEU A 131 3.506 5.748 1.137 1.00 0.00 N ATOM 1695 CA LEU A 131 4.812 5.367 1.554 1.00 0.00 C ATOM 1696 C LEU A 131 5.751 5.244 0.350 1.00 0.00 C ATOM 1697 O LEU A 131 5.447 4.567 -0.627 1.00 0.00 O ATOM 1698 CB LEU A 131 4.702 4.074 2.267 1.00 0.00 C ATOM 1699 CG LEU A 131 5.955 3.320 2.513 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.876 4.057 3.399 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.657 1.951 3.031 1.00 0.00 C ATOM 0 H LEU A 131 2.831 4.983 1.123 1.00 0.00 H new ATOM 0 HA LEU A 131 5.231 6.126 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.227 4.260 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 131 4.029 3.432 1.698 1.00 0.00 H new ATOM 0 HG LEU A 131 6.468 3.208 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.781 3.469 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.137 5.011 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.392 4.236 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.591 1.416 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.104 2.029 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.058 1.408 2.300 1.00 0.00 H new ATOM 1713 N HIS A 132 6.873 5.919 0.430 1.00 0.00 N ATOM 1714 CA HIS A 132 7.867 5.911 -0.632 1.00 0.00 C ATOM 1715 C HIS A 132 8.622 4.620 -0.652 1.00 0.00 C ATOM 1716 O HIS A 132 9.327 4.318 0.269 1.00 0.00 O ATOM 1717 CB HIS A 132 8.858 7.073 -0.459 1.00 0.00 C ATOM 1718 CG HIS A 132 9.706 7.394 -1.666 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.754 8.256 -1.621 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.619 6.998 -2.944 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.269 8.389 -2.811 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.596 7.638 -3.644 1.00 0.00 N ATOM 0 H HIS A 132 7.129 6.493 1.233 1.00 0.00 H new ATOM 0 HA HIS A 132 7.336 6.027 -1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.298 7.966 -0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.519 6.841 0.376 1.00 0.00 H new ATOM 0 HD1 HIS A 132 11.088 8.729 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.902 6.297 -3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.111 9.015 -3.067 1.00 0.00 H new ATOM 1731 N ILE A 133 8.529 3.939 -1.750 1.00 0.00 N ATOM 1732 CA ILE A 133 9.199 2.688 -2.001 1.00 0.00 C ATOM 1733 C ILE A 133 10.703 2.830 -1.925 1.00 0.00 C ATOM 1734 O ILE A 133 11.412 1.896 -1.541 1.00 0.00 O ATOM 1735 CB ILE A 133 8.744 2.107 -3.384 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.490 1.244 -3.261 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.843 1.438 -4.209 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.573 0.187 -2.226 1.00 0.00 C ATOM 0 H ILE A 133 7.959 4.249 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 133 8.915 1.985 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 133 8.482 2.986 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.640 1.889 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.290 0.777 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.423 1.071 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.629 2.162 -4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.262 0.603 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.641 -0.377 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.399 -0.485 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.740 0.645 -1.251 1.00 0.00 H new ATOM 1750 N LYS A 134 11.180 3.993 -2.254 1.00 0.00 N ATOM 1751 CA LYS A 134 12.604 4.212 -2.258 1.00 0.00 C ATOM 1752 C LYS A 134 13.152 4.542 -0.882 1.00 0.00 C ATOM 1753 O LYS A 134 14.129 3.953 -0.459 1.00 0.00 O ATOM 1754 CB LYS A 134 13.017 5.266 -3.265 1.00 0.00 C ATOM 1755 CG LYS A 134 12.676 4.919 -4.713 1.00 0.00 C ATOM 1756 CD LYS A 134 13.174 5.962 -5.688 1.00 0.00 C ATOM 1757 CE LYS A 134 14.666 5.984 -5.715 1.00 0.00 C ATOM 1758 NZ LYS A 134 15.197 7.074 -6.554 1.00 0.00 N ATOM 0 H LYS A 134 10.616 4.800 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 134 13.046 3.264 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.534 6.208 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.092 5.426 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.113 3.952 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.596 4.817 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.790 5.748 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.795 6.944 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.043 6.095 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.034 5.029 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 16.237 7.047 -6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.860 6.956 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.869 7.989 -6.183 1.00 0.00 H new ATOM 1772 N THR A 135 12.512 5.451 -0.170 1.00 0.00 N ATOM 1773 CA THR A 135 13.088 5.890 1.110 1.00 0.00 C ATOM 1774 C THR A 135 12.264 5.501 2.337 1.00 0.00 C ATOM 1775 O THR A 135 12.787 5.445 3.461 1.00 0.00 O ATOM 1776 CB THR A 135 13.335 7.400 1.107 1.00 0.00 C ATOM 1777 OG1 THR A 135 12.127 8.087 0.731 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.452 7.761 0.145 1.00 0.00 C ATOM 0 H THR A 135 11.630 5.891 -0.431 1.00 0.00 H new ATOM 0 HA THR A 135 14.035 5.356 1.195 1.00 0.00 H new ATOM 0 HB THR A 135 13.632 7.705 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 135 12.154 9.006 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.610 8.839 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.369 7.256 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 135 14.180 7.448 -0.863 1.00 0.00 H new ATOM 1786 N GLY A 136 10.995 5.240 2.141 1.00 0.00 N ATOM 1787 CA GLY A 136 10.150 4.878 3.246 1.00 0.00 C ATOM 1788 C GLY A 136 9.699 6.067 4.002 1.00 0.00 C ATOM 1789 O GLY A 136 9.733 6.080 5.229 1.00 0.00 O ATOM 0 H GLY A 136 10.530 5.272 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.283 4.331 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.691 4.206 3.913 1.00 0.00 H new ATOM 1793 N GLU A 137 9.306 7.051 3.264 1.00 0.00 N ATOM 1794 CA GLU A 137 8.826 8.300 3.792 1.00 0.00 C ATOM 1795 C GLU A 137 7.397 8.451 3.396 1.00 0.00 C ATOM 1796 O GLU A 137 7.016 8.000 2.308 1.00 0.00 O ATOM 1797 CB GLU A 137 9.635 9.442 3.236 1.00 0.00 C ATOM 1798 CG GLU A 137 11.022 9.559 3.826 1.00 0.00 C ATOM 1799 CD GLU A 137 11.856 10.591 3.117 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.500 10.256 2.113 1.00 0.00 O ATOM 1801 OE2 GLU A 137 11.877 11.752 3.526 1.00 0.00 O ATOM 0 H GLU A 137 9.307 7.015 2.245 1.00 0.00 H new ATOM 0 HA GLU A 137 8.921 8.309 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.720 9.321 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.097 10.374 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.945 9.819 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.521 8.591 3.772 1.00 0.00 H new ATOM 1808 N TRP A 138 6.601 9.003 4.266 1.00 0.00 N ATOM 1809 CA TRP A 138 5.194 9.127 4.001 1.00 0.00 C ATOM 1810 C TRP A 138 4.815 10.525 3.594 1.00 0.00 C ATOM 1811 O TRP A 138 5.428 11.509 4.013 1.00 0.00 O ATOM 1812 CB TRP A 138 4.374 8.717 5.213 1.00 0.00 C ATOM 1813 CG TRP A 138 4.726 7.385 5.757 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.467 6.415 5.166 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.319 6.855 6.999 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.611 5.376 6.013 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.899 5.601 7.116 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.539 7.322 8.025 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.734 4.807 8.200 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.359 6.505 9.128 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.962 5.258 9.197 1.00 0.00 C ATOM 0 H TRP A 138 6.901 9.375 5.167 1.00 0.00 H new ATOM 0 HA TRP A 138 4.975 8.457 3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.504 9.464 5.996 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.318 8.720 4.942 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.879 6.467 4.169 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.177 4.546 5.837 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.079 8.298 7.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.210 3.840 8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.740 6.843 9.946 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.806 4.640 10.069 1.00 0.00 H new ATOM 1832 N LYS A 139 3.768 10.590 2.846 1.00 0.00 N ATOM 1833 CA LYS A 139 3.197 11.771 2.342 1.00 0.00 C ATOM 1834 C LYS A 139 1.898 11.937 2.979 1.00 0.00 C ATOM 1835 O LYS A 139 1.292 10.979 3.381 1.00 0.00 O ATOM 1836 CB LYS A 139 3.082 11.679 0.834 1.00 0.00 C ATOM 1837 CG LYS A 139 4.381 12.034 0.209 1.00 0.00 C ATOM 1838 CD LYS A 139 4.411 11.924 -1.299 1.00 0.00 C ATOM 1839 CE LYS A 139 4.293 10.504 -1.788 1.00 0.00 C ATOM 1840 NZ LYS A 139 4.493 10.436 -3.253 1.00 0.00 N ATOM 0 H LYS A 139 3.260 9.755 2.556 1.00 0.00 H new ATOM 0 HA LYS A 139 3.817 12.640 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.792 10.670 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.301 12.351 0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.636 13.056 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.155 11.387 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.596 12.515 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.341 12.354 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 139 5.031 9.879 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 139 3.311 10.106 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.622 10.093 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 4.722 11.383 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 5.275 9.784 -3.467 1.00 0.00 H new ATOM 1854 N LYS A 140 1.508 13.123 3.129 1.00 0.00 N ATOM 1855 CA LYS A 140 0.306 13.412 3.856 1.00 0.00 C ATOM 1856 C LYS A 140 -0.861 13.600 2.957 1.00 0.00 C ATOM 1857 O LYS A 140 -0.751 14.300 1.972 1.00 0.00 O ATOM 1858 CB LYS A 140 0.472 14.654 4.678 1.00 0.00 C ATOM 1859 CG LYS A 140 1.477 14.554 5.770 1.00 0.00 C ATOM 1860 CD LYS A 140 1.461 15.796 6.586 1.00 0.00 C ATOM 1861 CE LYS A 140 2.502 15.730 7.673 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.587 16.979 8.446 1.00 0.00 N ATOM 0 H LYS A 140 1.994 13.941 2.761 1.00 0.00 H new ATOM 0 HA LYS A 140 0.120 12.552 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.755 15.474 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.492 14.915 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.258 13.692 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.470 14.398 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.648 16.659 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.474 15.934 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.269 14.905 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.474 15.514 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.317 16.883 9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.836 17.764 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.668 17.174 8.893 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.965 12.978 3.292 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.169 13.191 2.579 1.00 0.00 C ATOM 1878 C GLY A 141 -4.133 12.047 2.695 1.00 0.00 C ATOM 1879 O GLY A 141 -3.980 11.158 3.526 1.00 0.00 O ATOM 0 H GLY A 141 -2.039 12.316 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.646 14.099 2.947 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.937 13.357 1.527 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.086 12.067 1.822 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.125 11.073 1.693 1.00 0.00 C ATOM 1885 C ASN A 142 -6.376 10.876 0.219 1.00 0.00 C ATOM 1886 O ASN A 142 -6.379 11.843 -0.530 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.435 11.484 2.435 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.931 12.935 2.209 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.633 13.527 1.091 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.576 13.509 3.069 1.00 0.00 N flip ATOM 0 H ASN A 142 -5.174 12.817 1.136 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.801 10.143 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.228 10.801 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.282 11.338 3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -8.802 13.031 3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -8.890 14.467 2.917 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.549 9.672 -0.230 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.699 9.475 -1.648 1.00 0.00 C ATOM 1899 C CYS A 143 -8.066 9.670 -2.150 1.00 0.00 C ATOM 1900 O CYS A 143 -8.746 8.750 -2.538 1.00 0.00 O ATOM 1901 CB CYS A 143 -6.065 8.225 -2.182 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.598 8.591 -3.199 1.00 0.00 S ATOM 0 H CYS A 143 -6.590 8.828 0.342 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.113 10.294 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.780 7.579 -1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.793 7.675 -2.779 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.452 10.893 -2.122 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.720 11.335 -2.626 1.00 0.00 C ATOM 1909 C GLU A 144 -9.549 11.755 -4.089 1.00 0.00 C ATOM 1910 O GLU A 144 -10.268 12.606 -4.610 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.229 12.485 -1.763 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.393 12.132 -0.278 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.385 11.048 -0.030 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.592 11.264 -0.215 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -10.974 9.938 0.366 1.00 0.00 O ATOM 0 H GLU A 144 -7.882 11.646 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.457 10.533 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.539 13.324 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.190 12.820 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.426 11.828 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.698 13.025 0.268 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.605 11.112 -4.727 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.259 11.328 -6.108 1.00 0.00 C ATOM 1924 C VAL A 145 -8.396 10.014 -6.840 1.00 0.00 C ATOM 1925 O VAL A 145 -8.296 8.955 -6.230 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.805 11.863 -6.279 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.633 13.138 -5.506 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.753 10.833 -5.857 1.00 0.00 C ATOM 0 H VAL A 145 -8.034 10.395 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 145 -8.931 12.084 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.650 12.059 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.614 13.505 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.336 13.885 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.824 12.951 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.757 11.253 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.896 10.576 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.856 9.936 -6.468 1.00 0.00 H new ATOM 1938 N SER A 146 -8.574 10.077 -8.119 1.00 0.00 N ATOM 1939 CA SER A 146 -8.813 8.895 -8.917 1.00 0.00 C ATOM 1940 C SER A 146 -7.536 8.209 -9.361 1.00 0.00 C ATOM 1941 O SER A 146 -7.570 7.110 -9.925 1.00 0.00 O ATOM 1942 CB SER A 146 -9.649 9.260 -10.096 1.00 0.00 C ATOM 1943 OG SER A 146 -10.820 9.932 -9.661 1.00 0.00 O ATOM 0 H SER A 146 -8.560 10.947 -8.652 1.00 0.00 H new ATOM 0 HA SER A 146 -9.340 8.176 -8.290 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.082 9.899 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.919 8.364 -10.655 1.00 0.00 H new ATOM 0 HG SER A 146 -11.097 9.576 -8.791 1.00 0.00 H new ATOM 1949 N SER A 147 -6.430 8.826 -9.069 1.00 0.00 N ATOM 1950 CA SER A 147 -5.129 8.379 -9.519 1.00 0.00 C ATOM 1951 C SER A 147 -4.560 7.157 -8.753 1.00 0.00 C ATOM 1952 O SER A 147 -3.351 6.917 -8.777 1.00 0.00 O ATOM 1953 CB SER A 147 -4.176 9.553 -9.466 1.00 0.00 C ATOM 1954 OG SER A 147 -4.709 10.661 -10.190 1.00 0.00 O ATOM 0 H SER A 147 -6.397 9.672 -8.500 1.00 0.00 H new ATOM 0 HA SER A 147 -5.248 8.018 -10.541 1.00 0.00 H new ATOM 0 HB2 SER A 147 -3.999 9.839 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.212 9.266 -9.886 1.00 0.00 H new ATOM 0 HG SER A 147 -4.082 11.413 -10.145 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.401 6.370 -8.125 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.886 5.212 -7.418 1.00 0.00 C ATOM 1962 C VAL A 148 -5.150 3.966 -8.201 1.00 0.00 C ATOM 1963 O VAL A 148 -6.292 3.628 -8.517 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.401 5.012 -6.003 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.453 4.085 -5.282 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.568 6.326 -5.300 1.00 0.00 C ATOM 0 H VAL A 148 -6.412 6.499 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.820 5.417 -7.321 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.391 4.556 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.804 3.927 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.412 3.129 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.458 4.529 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.938 6.153 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.607 6.838 -5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.281 6.943 -5.847 1.00 0.00 H new ATOM 1976 N GLU A 149 -4.096 3.307 -8.506 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.117 2.143 -9.338 1.00 0.00 C ATOM 1978 C GLU A 149 -3.562 0.939 -8.636 1.00 0.00 C ATOM 1979 O GLU A 149 -3.272 -0.060 -9.275 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.396 2.402 -10.634 1.00 0.00 C ATOM 1981 CG GLU A 149 -4.056 3.495 -11.465 1.00 0.00 C ATOM 1982 CD GLU A 149 -3.231 3.946 -12.634 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.274 4.734 -12.439 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -3.545 3.556 -13.780 1.00 0.00 O ATOM 0 H GLU A 149 -3.164 3.562 -8.180 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.160 1.922 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.365 2.685 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.360 1.481 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -5.017 3.132 -11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.261 4.352 -10.824 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.361 1.052 -7.354 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.850 -0.044 -6.603 1.00 0.00 C ATOM 1993 C GLY A 150 -2.680 0.291 -5.159 1.00 0.00 C ATOM 1994 O GLY A 150 -2.186 1.366 -4.816 1.00 0.00 O ATOM 0 H GLY A 150 -3.545 1.896 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.525 -0.894 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.890 -0.350 -7.018 1.00 0.00 H new ATOM 1998 N THR A 151 -3.086 -0.602 -4.325 1.00 0.00 N ATOM 1999 CA THR A 151 -2.976 -0.431 -2.914 1.00 0.00 C ATOM 2000 C THR A 151 -2.452 -1.693 -2.288 1.00 0.00 C ATOM 2001 O THR A 151 -2.599 -2.795 -2.857 1.00 0.00 O ATOM 2002 CB THR A 151 -4.330 -0.039 -2.264 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.212 -0.046 -0.844 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.451 -0.970 -2.690 1.00 0.00 C ATOM 0 H THR A 151 -3.511 -1.486 -4.606 1.00 0.00 H new ATOM 0 HA THR A 151 -2.280 0.388 -2.735 1.00 0.00 H new ATOM 0 HB THR A 151 -4.580 0.965 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.326 -0.961 -0.511 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.381 -0.661 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.567 -0.928 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.211 -1.990 -2.390 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.775 -1.539 -1.173 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.321 -2.658 -0.448 1.00 0.00 C ATOM 2014 C LEU A 152 -2.337 -2.969 0.589 1.00 0.00 C ATOM 2015 O LEU A 152 -2.886 -2.069 1.236 1.00 0.00 O ATOM 2016 CB LEU A 152 0.009 -2.442 0.231 1.00 0.00 C ATOM 2017 CG LEU A 152 0.519 -3.720 0.879 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.146 -4.679 -0.069 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.376 -3.469 2.004 1.00 0.00 C ATOM 0 H LEU A 152 -1.536 -0.636 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.181 -3.473 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.737 -2.087 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.090 -1.664 0.988 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.382 -4.209 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.482 -5.562 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.417 -4.974 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.999 -4.206 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.709 -4.417 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.242 -2.891 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.828 -2.908 2.761 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.605 -4.189 0.739 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.570 -4.616 1.658 1.00 0.00 C ATOM 2033 C CYS A 153 -2.922 -5.353 2.770 1.00 0.00 C ATOM 2034 O CYS A 153 -1.944 -6.079 2.565 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.520 -5.509 0.950 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.088 -4.789 -0.609 1.00 0.00 S ATOM 0 H CYS A 153 -2.154 -4.941 0.218 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.096 -3.757 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.040 -6.467 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.378 -5.708 1.592 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.448 -5.160 3.915 1.00 0.00 N ATOM 2042 CA LYS A 154 -3.021 -5.805 5.089 1.00 0.00 C ATOM 2043 C LYS A 154 -4.237 -6.439 5.728 1.00 0.00 C ATOM 2044 O LYS A 154 -5.321 -5.868 5.717 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.366 -4.796 6.036 1.00 0.00 C ATOM 2046 CG LYS A 154 -2.024 -5.345 7.404 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.500 -4.256 8.317 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.219 -4.793 9.703 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.441 -5.291 10.388 1.00 0.00 N ATOM 0 H LYS A 154 -4.225 -4.517 4.066 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.277 -6.570 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.454 -4.421 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -3.035 -3.944 6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.910 -5.800 7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.276 -6.132 7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.588 -3.833 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -2.228 -3.447 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.492 -5.602 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.765 -4.007 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.344 -5.153 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -3.270 -4.766 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.564 -6.304 10.185 1.00 0.00 H new ATOM 2063 N THR A 155 -4.079 -7.608 6.205 1.00 0.00 N ATOM 2064 CA THR A 155 -5.132 -8.309 6.857 1.00 0.00 C ATOM 2065 C THR A 155 -4.523 -8.998 8.049 1.00 0.00 C ATOM 2066 O THR A 155 -3.414 -9.509 7.956 1.00 0.00 O ATOM 2067 CB THR A 155 -5.796 -9.351 5.889 1.00 0.00 C ATOM 2068 OG1 THR A 155 -6.936 -9.988 6.499 1.00 0.00 O ATOM 2069 CG2 THR A 155 -4.794 -10.412 5.467 1.00 0.00 C ATOM 0 H THR A 155 -3.201 -8.124 6.158 1.00 0.00 H new ATOM 0 HA THR A 155 -5.920 -7.622 7.166 1.00 0.00 H new ATOM 0 HB THR A 155 -6.132 -8.801 5.010 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.750 -9.731 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.277 -11.123 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 155 -3.958 -9.939 4.952 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.427 -10.937 6.349 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.170 -8.949 9.158 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.669 -9.616 10.319 1.00 0.00 C ATOM 2079 C ALA A 156 -4.983 -11.056 10.195 1.00 0.00 C ATOM 2080 O ALA A 156 -6.090 -11.413 9.751 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.321 -9.088 11.568 1.00 0.00 C ATOM 0 H ALA A 156 -6.051 -8.454 9.292 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.594 -9.448 10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -4.922 -9.612 12.436 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -5.116 -8.022 11.662 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.398 -9.247 11.511 1.00 0.00 H new