USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 120:sc= 1.04 USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= 1.13 USER MOD Set 1.4: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 TYR OH : rot 115:sc= 0.482 USER MOD Set 2.2: A 75 HIS : no HD1:sc= 0.0341 X(o=0.52,f=0.091) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= 1.83 (180deg=1.68) USER MOD Single : A 14 MET CE :methyl 178:sc= -0.126 (180deg=-0.131) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 24:sc= 1.02 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -6.09! K(o=-6.1!,f=-3.2) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.452 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 1:sc=0.000374 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0.076) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 120:sc= -0.0905 USER MOD Single : A 84 MET CE :methyl 170:sc= 0 (180deg=-0.103) USER MOD Single : A 91 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.1) USER MOD Single : A 112 GLN : amide:sc= -0.0796 K(o=-0.08,f=-1.8!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.0345 K(o=-0.034,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -3.977 3.229 7.519 1.00 0.00 N ATOM 100 CA LYS A 10 -3.941 1.775 7.613 1.00 0.00 C ATOM 101 C LYS A 10 -2.503 1.264 7.590 1.00 0.00 C ATOM 102 O LYS A 10 -1.620 1.898 7.015 1.00 0.00 O ATOM 103 CB LYS A 10 -4.734 1.149 6.463 1.00 0.00 C ATOM 104 CG LYS A 10 -5.360 -0.189 6.814 1.00 0.00 C ATOM 105 CD LYS A 10 -6.212 -0.723 5.674 1.00 0.00 C ATOM 106 CE LYS A 10 -5.395 -1.585 4.725 1.00 0.00 C ATOM 107 NZ LYS A 10 -5.284 -2.990 5.207 1.00 0.00 N ATOM 0 HA LYS A 10 -4.396 1.486 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.520 1.839 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.073 1.018 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.575 -0.908 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.974 -0.081 7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.038 -1.308 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.650 0.110 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.856 -1.575 3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.398 -1.159 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.763 -3.557 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.776 -3.007 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.236 -3.389 5.336 1.00 0.00 H new ATOM 121 N GLU A 11 -2.279 0.114 8.217 1.00 0.00 N ATOM 122 CA GLU A 11 -0.948 -0.481 8.267 1.00 0.00 C ATOM 123 C GLU A 11 -1.033 -2.005 8.266 1.00 0.00 C ATOM 124 O GLU A 11 -2.010 -2.583 8.741 1.00 0.00 O ATOM 125 CB GLU A 11 -0.197 -0.002 9.511 1.00 0.00 C ATOM 126 CG GLU A 11 -0.346 1.487 9.775 1.00 0.00 C ATOM 127 CD GLU A 11 -1.629 1.824 10.510 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.911 1.175 11.539 1.00 0.00 O ATOM 129 OE2 GLU A 11 -2.351 2.737 10.056 1.00 0.00 O ATOM 0 H GLU A 11 -3.001 -0.424 8.697 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.403 -0.164 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.558 -0.554 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.861 -0.239 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.505 1.835 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.323 2.024 8.827 1.00 0.00 H new ATOM 136 N GLY A 12 -0.002 -2.649 7.728 1.00 0.00 N ATOM 137 CA GLY A 12 0.021 -4.099 7.675 1.00 0.00 C ATOM 138 C GLY A 12 1.004 -4.626 6.648 1.00 0.00 C ATOM 139 O GLY A 12 1.466 -3.882 5.783 1.00 0.00 O ATOM 0 H GLY A 12 0.818 -2.192 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.282 -4.491 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.978 -4.467 7.440 1.00 0.00 H new ATOM 143 N TRP A 13 1.324 -5.911 6.743 1.00 0.00 N ATOM 144 CA TRP A 13 2.259 -6.536 5.815 1.00 0.00 C ATOM 145 C TRP A 13 1.566 -6.906 4.509 1.00 0.00 C ATOM 146 O TRP A 13 0.475 -7.477 4.515 1.00 0.00 O ATOM 147 CB TRP A 13 2.881 -7.782 6.448 1.00 0.00 C ATOM 148 CG TRP A 13 3.751 -7.477 7.629 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.338 -7.185 8.898 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.182 -7.433 7.651 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.426 -6.962 9.707 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.569 -7.108 8.966 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.174 -7.637 6.689 1.00 0.00 C ATOM 154 CZ2 TRP A 13 6.904 -6.983 9.340 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.499 -7.512 7.061 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.855 -7.188 8.377 1.00 0.00 C ATOM 0 H TRP A 13 0.950 -6.541 7.453 1.00 0.00 H new ATOM 0 HA TRP A 13 3.048 -5.817 5.594 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.085 -8.459 6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.471 -8.306 5.697 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.308 -7.137 9.218 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.389 -6.726 10.699 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.910 -7.888 5.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.180 -6.733 10.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.274 -7.667 6.325 1.00 0.00 H new ATOM 0 HH2 TRP A 13 8.900 -7.098 8.636 1.00 0.00 H new ATOM 167 N MET A 14 2.205 -6.578 3.391 1.00 0.00 N ATOM 168 CA MET A 14 1.648 -6.879 2.077 1.00 0.00 C ATOM 169 C MET A 14 2.752 -7.236 1.087 1.00 0.00 C ATOM 170 O MET A 14 3.908 -6.851 1.265 1.00 0.00 O ATOM 171 CB MET A 14 0.846 -5.685 1.554 1.00 0.00 C ATOM 172 CG MET A 14 0.118 -5.966 0.249 1.00 0.00 C ATOM 173 SD MET A 14 -1.137 -7.250 0.416 1.00 0.00 S ATOM 174 CE MET A 14 -2.471 -6.323 1.170 1.00 0.00 C ATOM 0 H MET A 14 3.108 -6.104 3.368 1.00 0.00 H new ATOM 0 HA MET A 14 0.984 -7.738 2.180 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.119 -5.387 2.309 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.520 -4.840 1.410 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.352 -5.048 -0.105 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.842 -6.267 -0.509 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.335 -6.973 1.304 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.148 -5.944 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.743 -5.487 0.526 1.00 0.00 H new ATOM 184 N VAL A 15 2.389 -7.975 0.044 1.00 0.00 N ATOM 185 CA VAL A 15 3.349 -8.384 -0.975 1.00 0.00 C ATOM 186 C VAL A 15 3.096 -7.659 -2.292 1.00 0.00 C ATOM 187 O VAL A 15 1.952 -7.358 -2.637 1.00 0.00 O ATOM 188 CB VAL A 15 3.295 -9.904 -1.219 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.936 -10.654 -0.061 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.859 -10.358 -1.430 1.00 0.00 C ATOM 0 H VAL A 15 1.437 -8.303 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 15 4.338 -8.118 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 15 3.860 -10.130 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.888 -11.726 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.978 -10.349 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.402 -10.425 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.839 -11.434 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.268 -10.120 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.439 -9.845 -2.295 1.00 0.00 H new ATOM 200 N HIS A 16 4.169 -7.382 -3.025 1.00 0.00 N ATOM 201 CA HIS A 16 4.063 -6.692 -4.306 1.00 0.00 C ATOM 202 C HIS A 16 5.169 -7.140 -5.257 1.00 0.00 C ATOM 203 O HIS A 16 6.149 -7.758 -4.839 1.00 0.00 O ATOM 204 CB HIS A 16 4.132 -5.179 -4.102 1.00 0.00 C ATOM 205 CG HIS A 16 5.531 -4.647 -4.028 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.389 -4.931 -2.987 1.00 0.00 N ATOM 207 CD2 HIS A 16 6.220 -3.847 -4.874 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.545 -4.327 -3.195 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.469 -3.662 -4.334 1.00 0.00 N ATOM 0 H HIS A 16 5.122 -7.625 -2.754 1.00 0.00 H new ATOM 0 HA HIS A 16 3.101 -6.947 -4.750 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.608 -4.686 -4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.605 -4.920 -3.184 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.855 -3.431 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.406 -4.370 -2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.216 -3.102 -4.745 1.00 0.00 H new ATOM 218 N TYR A 17 5.005 -6.826 -6.537 1.00 0.00 N ATOM 219 CA TYR A 17 5.987 -7.199 -7.548 1.00 0.00 C ATOM 220 C TYR A 17 5.960 -6.223 -8.720 1.00 0.00 C ATOM 221 O TYR A 17 4.900 -5.731 -9.110 1.00 0.00 O ATOM 222 CB TYR A 17 5.722 -8.621 -8.046 1.00 0.00 C ATOM 223 CG TYR A 17 4.386 -8.781 -8.736 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.218 -8.939 -8.001 1.00 0.00 C ATOM 225 CD2 TYR A 17 4.293 -8.777 -10.122 1.00 0.00 C ATOM 226 CE1 TYR A 17 1.995 -9.087 -8.627 1.00 0.00 C ATOM 227 CE2 TYR A 17 3.075 -8.922 -10.757 1.00 0.00 C ATOM 228 CZ TYR A 17 1.929 -9.077 -10.005 1.00 0.00 C ATOM 229 OH TYR A 17 0.713 -9.224 -10.633 1.00 0.00 O ATOM 0 H TYR A 17 4.201 -6.314 -6.899 1.00 0.00 H new ATOM 0 HA TYR A 17 6.975 -7.160 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.515 -8.909 -8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.770 -9.308 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.267 -8.946 -6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.189 -8.658 -10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.096 -9.210 -8.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.020 -8.914 -11.836 1.00 0.00 H new ATOM 0 HH TYR A 17 0.492 -8.400 -11.116 1.00 0.00 H new ATOM 239 N THR A 18 7.134 -5.948 -9.280 1.00 0.00 N ATOM 240 CA THR A 18 7.246 -5.032 -10.408 1.00 0.00 C ATOM 241 C THR A 18 7.021 -5.756 -11.730 1.00 0.00 C ATOM 242 O THR A 18 7.207 -6.969 -11.823 1.00 0.00 O ATOM 243 CB THR A 18 8.626 -4.347 -10.439 1.00 0.00 C ATOM 244 OG1 THR A 18 9.659 -5.315 -10.223 1.00 0.00 O ATOM 245 CG2 THR A 18 8.714 -3.259 -9.380 1.00 0.00 C ATOM 0 H THR A 18 8.020 -6.347 -8.971 1.00 0.00 H new ATOM 0 HA THR A 18 6.474 -4.274 -10.277 1.00 0.00 H new ATOM 0 HB THR A 18 8.758 -3.889 -11.419 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.331 -6.204 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.697 -2.790 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.946 -2.508 -9.565 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.563 -3.698 -8.394 1.00 0.00 H new ATOM 253 N SER A 19 6.620 -5.005 -12.750 1.00 0.00 N ATOM 254 CA SER A 19 6.367 -5.577 -14.068 1.00 0.00 C ATOM 255 C SER A 19 7.608 -6.287 -14.600 1.00 0.00 C ATOM 256 O SER A 19 7.559 -7.465 -14.953 1.00 0.00 O ATOM 257 CB SER A 19 5.932 -4.484 -15.046 1.00 0.00 C ATOM 258 OG SER A 19 5.413 -5.046 -16.239 1.00 0.00 O ATOM 0 H SER A 19 6.463 -3.999 -12.690 1.00 0.00 H new ATOM 0 HA SER A 19 5.565 -6.309 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.176 -3.853 -14.579 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.781 -3.843 -15.282 1.00 0.00 H new ATOM 0 HG SER A 19 5.140 -4.328 -16.847 1.00 0.00 H new ATOM 264 N ARG A 20 8.720 -5.561 -14.653 1.00 0.00 N ATOM 265 CA ARG A 20 9.974 -6.119 -15.143 1.00 0.00 C ATOM 266 C ARG A 20 10.457 -7.248 -14.237 1.00 0.00 C ATOM 267 O ARG A 20 10.631 -8.383 -14.681 1.00 0.00 O ATOM 268 CB ARG A 20 11.043 -5.028 -15.231 1.00 0.00 C ATOM 269 CG ARG A 20 12.409 -5.547 -15.651 1.00 0.00 C ATOM 270 CD ARG A 20 12.398 -6.046 -17.087 1.00 0.00 C ATOM 271 NE ARG A 20 12.337 -4.947 -18.048 1.00 0.00 N ATOM 272 CZ ARG A 20 13.386 -4.206 -18.385 1.00 0.00 C ATOM 273 NH1 ARG A 20 14.572 -4.444 -17.842 1.00 0.00 N ATOM 274 NH2 ARG A 20 13.250 -3.224 -19.267 1.00 0.00 N ATOM 0 H ARG A 20 8.778 -4.585 -14.362 1.00 0.00 H new ATOM 0 HA ARG A 20 9.797 -6.526 -16.139 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.718 -4.269 -15.942 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.132 -4.539 -14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.149 -4.753 -15.546 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.712 -6.356 -14.986 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.293 -6.640 -17.271 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.543 -6.705 -17.235 1.00 0.00 H new ATOM 0 HE ARG A 20 11.439 -4.737 -18.484 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.680 -5.198 -17.164 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.376 -3.873 -18.103 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.339 -3.038 -19.687 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.056 -2.655 -19.525 1.00 0.00 H new ATOM 288 N ASP A 21 10.673 -6.927 -12.966 1.00 0.00 N ATOM 289 CA ASP A 21 11.136 -7.914 -11.997 1.00 0.00 C ATOM 290 C ASP A 21 9.965 -8.490 -11.206 1.00 0.00 C ATOM 291 O ASP A 21 9.359 -7.802 -10.386 1.00 0.00 O ATOM 292 CB ASP A 21 12.152 -7.285 -11.042 1.00 0.00 C ATOM 293 CG ASP A 21 13.103 -6.339 -11.749 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.649 -6.726 -12.803 1.00 0.00 O ATOM 295 OD2 ASP A 21 13.301 -5.212 -11.248 1.00 0.00 O ATOM 0 H ASP A 21 10.535 -5.992 -12.583 1.00 0.00 H new ATOM 0 HA ASP A 21 11.616 -8.726 -12.543 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.622 -6.744 -10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.725 -8.074 -10.554 1.00 0.00 H new ATOM 300 N ASN A 22 9.652 -9.756 -11.460 1.00 0.00 N ATOM 301 CA ASN A 22 8.553 -10.424 -10.774 1.00 0.00 C ATOM 302 C ASN A 22 9.013 -10.993 -9.435 1.00 0.00 C ATOM 303 O ASN A 22 8.513 -12.023 -8.981 1.00 0.00 O ATOM 304 CB ASN A 22 7.983 -11.544 -11.647 1.00 0.00 C ATOM 305 CG ASN A 22 7.180 -11.012 -12.818 1.00 0.00 C ATOM 306 OD1 ASN A 22 5.953 -10.930 -12.758 1.00 0.00 O ATOM 307 ND2 ASN A 22 7.871 -10.647 -13.892 1.00 0.00 N ATOM 0 H ASN A 22 10.144 -10.340 -12.136 1.00 0.00 H new ATOM 0 HA ASN A 22 7.773 -9.686 -10.587 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.800 -12.161 -12.021 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.349 -12.189 -11.038 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.385 -10.281 -14.711 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.887 -10.732 -13.898 1.00 0.00 H new ATOM 314 N LEU A 23 9.967 -10.315 -8.807 1.00 0.00 N ATOM 315 CA LEU A 23 10.495 -10.751 -7.519 1.00 0.00 C ATOM 316 C LEU A 23 9.579 -10.316 -6.380 1.00 0.00 C ATOM 317 O LEU A 23 9.759 -9.245 -5.800 1.00 0.00 O ATOM 318 CB LEU A 23 11.900 -10.186 -7.304 1.00 0.00 C ATOM 319 CG LEU A 23 12.816 -10.996 -6.386 1.00 0.00 C ATOM 320 CD1 LEU A 23 14.266 -10.575 -6.571 1.00 0.00 C ATOM 321 CD2 LEU A 23 12.393 -10.834 -4.933 1.00 0.00 C ATOM 0 H LEU A 23 10.391 -9.461 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 23 10.545 -11.840 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.384 -10.091 -8.276 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.807 -9.180 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 23 12.728 -12.049 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.903 -11.162 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.565 -10.743 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.371 -9.517 -6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.056 -11.417 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.451 -9.782 -4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.369 -11.186 -4.811 1.00 0.00 H new ATOM 333 N ARG A 24 8.599 -11.155 -6.062 1.00 0.00 N ATOM 334 CA ARG A 24 7.656 -10.858 -4.991 1.00 0.00 C ATOM 335 C ARG A 24 8.391 -10.493 -3.705 1.00 0.00 C ATOM 336 O ARG A 24 9.345 -11.164 -3.310 1.00 0.00 O ATOM 337 CB ARG A 24 6.737 -12.056 -4.744 1.00 0.00 C ATOM 338 CG ARG A 24 5.515 -11.723 -3.903 1.00 0.00 C ATOM 339 CD ARG A 24 4.430 -12.777 -4.058 1.00 0.00 C ATOM 340 NE ARG A 24 3.783 -12.709 -5.366 1.00 0.00 N ATOM 341 CZ ARG A 24 3.094 -13.712 -5.898 1.00 0.00 C ATOM 342 NH1 ARG A 24 2.962 -14.854 -5.237 1.00 0.00 N ATOM 343 NH2 ARG A 24 2.535 -13.573 -7.093 1.00 0.00 N ATOM 0 H ARG A 24 8.437 -12.046 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 24 7.053 -10.004 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.409 -12.456 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.305 -12.843 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.803 -11.647 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.123 -10.749 -4.198 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.864 -13.767 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.682 -12.645 -3.276 1.00 0.00 H new ATOM 0 HE ARG A 24 3.865 -11.844 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.390 -14.964 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.432 -15.623 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.634 -12.696 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.006 -14.344 -7.501 1.00 0.00 H new ATOM 357 N LYS A 25 7.941 -9.425 -3.054 1.00 0.00 N ATOM 358 CA LYS A 25 8.554 -8.970 -1.812 1.00 0.00 C ATOM 359 C LYS A 25 7.491 -8.620 -0.777 1.00 0.00 C ATOM 360 O LYS A 25 6.505 -7.951 -1.087 1.00 0.00 O ATOM 361 CB LYS A 25 9.445 -7.754 -2.075 1.00 0.00 C ATOM 362 CG LYS A 25 10.851 -8.115 -2.522 1.00 0.00 C ATOM 363 CD LYS A 25 11.824 -6.972 -2.282 1.00 0.00 C ATOM 364 CE LYS A 25 13.252 -7.378 -2.610 1.00 0.00 C ATOM 365 NZ LYS A 25 13.882 -8.138 -1.495 1.00 0.00 N ATOM 0 H LYS A 25 7.153 -8.858 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 25 9.165 -9.782 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.979 -7.131 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.504 -7.154 -1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.189 -9.000 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.843 -8.370 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.539 -6.116 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.765 -6.655 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.258 -7.987 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.843 -6.487 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.855 -8.397 -1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.900 -7.548 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.332 -9.001 -1.309 1.00 0.00 H new ATOM 379 N ARG A 26 7.698 -9.075 0.455 1.00 0.00 N ATOM 380 CA ARG A 26 6.757 -8.809 1.536 1.00 0.00 C ATOM 381 C ARG A 26 7.347 -7.824 2.541 1.00 0.00 C ATOM 382 O ARG A 26 8.407 -8.071 3.118 1.00 0.00 O ATOM 383 CB ARG A 26 6.379 -10.111 2.244 1.00 0.00 C ATOM 384 CG ARG A 26 5.243 -9.955 3.241 1.00 0.00 C ATOM 385 CD ARG A 26 4.803 -11.300 3.799 1.00 0.00 C ATOM 386 NE ARG A 26 5.833 -11.908 4.636 1.00 0.00 N ATOM 387 CZ ARG A 26 6.122 -11.493 5.865 1.00 0.00 C ATOM 388 NH1 ARG A 26 5.461 -10.474 6.396 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.073 -12.099 6.564 1.00 0.00 N ATOM 0 H ARG A 26 8.509 -9.630 0.729 1.00 0.00 H new ATOM 0 HA ARG A 26 5.861 -8.366 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.096 -10.852 1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.255 -10.500 2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.561 -9.307 4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.397 -9.466 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.892 -11.170 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.561 -11.972 2.976 1.00 0.00 H new ATOM 0 HE ARG A 26 6.360 -12.695 4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.729 -10.007 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.684 -10.157 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.583 -12.884 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.294 -11.780 7.507 1.00 0.00 H new ATOM 403 N HIS A 27 6.655 -6.708 2.745 1.00 0.00 N ATOM 404 CA HIS A 27 7.111 -5.686 3.681 1.00 0.00 C ATOM 405 C HIS A 27 5.933 -5.075 4.435 1.00 0.00 C ATOM 406 O HIS A 27 4.786 -5.169 3.996 1.00 0.00 O ATOM 407 CB HIS A 27 7.879 -4.592 2.939 1.00 0.00 C ATOM 408 CG HIS A 27 8.946 -5.120 2.030 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.109 -4.687 0.731 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.907 -6.049 2.239 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.124 -5.329 0.180 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.626 -6.161 1.075 1.00 0.00 N ATOM 0 H HIS A 27 5.777 -6.488 2.275 1.00 0.00 H new ATOM 0 HA HIS A 27 7.775 -6.160 4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.176 -3.999 2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.333 -3.921 3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.077 -6.600 3.152 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.482 -5.196 -0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.419 -6.785 0.925 1.00 0.00 H new ATOM 421 N TYR A 28 6.224 -4.451 5.570 1.00 0.00 N ATOM 422 CA TYR A 28 5.189 -3.828 6.387 1.00 0.00 C ATOM 423 C TYR A 28 4.707 -2.526 5.755 1.00 0.00 C ATOM 424 O TYR A 28 5.242 -1.453 6.033 1.00 0.00 O ATOM 425 CB TYR A 28 5.715 -3.560 7.798 1.00 0.00 C ATOM 426 CG TYR A 28 4.685 -2.950 8.722 1.00 0.00 C ATOM 427 CD1 TYR A 28 3.597 -3.691 9.166 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.802 -1.634 9.153 1.00 0.00 C ATOM 429 CE1 TYR A 28 2.654 -3.138 10.011 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.864 -1.074 9.998 1.00 0.00 C ATOM 431 CZ TYR A 28 2.792 -1.829 10.424 1.00 0.00 C ATOM 432 OH TYR A 28 1.855 -1.275 11.266 1.00 0.00 O ATOM 0 H TYR A 28 7.168 -4.363 5.946 1.00 0.00 H new ATOM 0 HA TYR A 28 4.346 -4.516 6.446 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.068 -4.497 8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.575 -2.893 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.486 -4.716 8.845 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.640 -1.039 8.822 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.813 -3.727 10.346 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.970 -0.050 10.323 1.00 0.00 H new ATOM 0 HH TYR A 28 2.100 -0.346 11.462 1.00 0.00 H new ATOM 442 N TRP A 29 3.692 -2.629 4.905 1.00 0.00 N ATOM 443 CA TRP A 29 3.136 -1.460 4.233 1.00 0.00 C ATOM 444 C TRP A 29 2.338 -0.600 5.207 1.00 0.00 C ATOM 445 O TRP A 29 1.339 -1.048 5.769 1.00 0.00 O ATOM 446 CB TRP A 29 2.245 -1.891 3.067 1.00 0.00 C ATOM 447 CG TRP A 29 2.990 -2.047 1.776 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.250 -2.548 1.612 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.522 -1.697 0.469 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.594 -2.531 0.282 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.550 -2.014 -0.441 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.334 -1.149 -0.022 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.425 -1.799 -1.810 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.211 -0.936 -1.382 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.251 -1.262 -2.264 1.00 0.00 C ATOM 0 H TRP A 29 3.237 -3.510 4.665 1.00 0.00 H new ATOM 0 HA TRP A 29 3.965 -0.866 3.847 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.764 -2.837 3.317 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.452 -1.155 2.934 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.883 -2.905 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.482 -2.851 -0.105 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.526 -0.896 0.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.226 -2.047 -2.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.298 -0.511 -1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.123 -1.086 -3.322 1.00 0.00 H new ATOM 466 N ARG A 30 2.786 0.636 5.403 1.00 0.00 N ATOM 467 CA ARG A 30 2.114 1.557 6.311 1.00 0.00 C ATOM 468 C ARG A 30 1.702 2.834 5.583 1.00 0.00 C ATOM 469 O ARG A 30 2.513 3.460 4.899 1.00 0.00 O ATOM 470 CB ARG A 30 3.025 1.901 7.490 1.00 0.00 C ATOM 471 CG ARG A 30 2.603 3.153 8.242 1.00 0.00 C ATOM 472 CD ARG A 30 3.338 3.282 9.567 1.00 0.00 C ATOM 473 NE ARG A 30 2.538 3.978 10.571 1.00 0.00 N ATOM 474 CZ ARG A 30 2.320 5.288 10.557 1.00 0.00 C ATOM 475 NH1 ARG A 30 2.838 6.040 9.596 1.00 0.00 N ATOM 476 NH2 ARG A 30 1.581 5.849 11.507 1.00 0.00 N ATOM 0 H ARG A 30 3.611 1.022 4.945 1.00 0.00 H new ATOM 0 HA ARG A 30 1.216 1.067 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.041 1.060 8.183 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.043 2.033 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.801 4.032 7.628 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.528 3.126 8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.598 2.290 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.273 3.820 9.412 1.00 0.00 H new ATOM 0 HE ARG A 30 2.124 3.428 11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.406 5.613 8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.669 7.046 9.588 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.180 5.274 12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.414 6.855 11.496 1.00 0.00 H new ATOM 490 N LEU A 31 0.439 3.215 5.736 1.00 0.00 N ATOM 491 CA LEU A 31 -0.081 4.417 5.093 1.00 0.00 C ATOM 492 C LEU A 31 -0.697 5.361 6.121 1.00 0.00 C ATOM 493 O LEU A 31 -1.331 4.921 7.081 1.00 0.00 O ATOM 494 CB LEU A 31 -1.123 4.045 4.037 1.00 0.00 C ATOM 495 CG LEU A 31 -1.971 5.196 3.496 1.00 0.00 C ATOM 496 CD1 LEU A 31 -1.120 6.138 2.659 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.138 4.661 2.679 1.00 0.00 C ATOM 0 H LEU A 31 -0.244 2.709 6.300 1.00 0.00 H new ATOM 0 HA LEU A 31 0.751 4.929 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.609 3.574 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.791 3.297 4.463 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.372 5.755 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.740 6.951 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.319 6.548 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.690 5.591 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.731 5.495 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.758 4.077 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.763 4.027 3.309 1.00 0.00 H new ATOM 509 N ASP A 32 -0.508 6.659 5.912 1.00 0.00 N ATOM 510 CA ASP A 32 -1.047 7.666 6.819 1.00 0.00 C ATOM 511 C ASP A 32 -1.577 8.868 6.043 1.00 0.00 C ATOM 512 O ASP A 32 -1.504 8.907 4.815 1.00 0.00 O ATOM 513 CB ASP A 32 0.025 8.116 7.812 1.00 0.00 C ATOM 514 CG ASP A 32 1.423 8.031 7.232 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.958 6.906 7.135 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.983 9.088 6.875 1.00 0.00 O ATOM 0 H ASP A 32 0.014 7.039 5.123 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.874 7.218 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.176 9.142 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.032 7.498 8.708 1.00 0.00 H new ATOM 521 N SER A 33 -2.110 9.846 6.768 1.00 0.00 N ATOM 522 CA SER A 33 -2.656 11.047 6.148 1.00 0.00 C ATOM 523 C SER A 33 -1.547 11.887 5.522 1.00 0.00 C ATOM 524 O SER A 33 -1.809 12.909 4.886 1.00 0.00 O ATOM 525 CB SER A 33 -3.420 11.878 7.180 1.00 0.00 C ATOM 526 OG SER A 33 -2.562 12.311 8.222 1.00 0.00 O ATOM 0 H SER A 33 -2.175 9.830 7.786 1.00 0.00 H new ATOM 0 HA SER A 33 -3.343 10.739 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.871 12.743 6.693 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.234 11.286 7.598 1.00 0.00 H new ATOM 0 HG SER A 33 -3.074 12.842 8.868 1.00 0.00 H new ATOM 532 N LYS A 34 -0.306 11.451 5.708 1.00 0.00 N ATOM 533 CA LYS A 34 0.845 12.160 5.162 1.00 0.00 C ATOM 534 C LYS A 34 1.334 11.496 3.878 1.00 0.00 C ATOM 535 O LYS A 34 1.141 12.025 2.783 1.00 0.00 O ATOM 536 CB LYS A 34 1.978 12.203 6.190 1.00 0.00 C ATOM 537 CG LYS A 34 1.900 13.393 7.131 1.00 0.00 C ATOM 538 CD LYS A 34 2.778 13.194 8.354 1.00 0.00 C ATOM 539 CE LYS A 34 4.254 13.322 8.008 1.00 0.00 C ATOM 540 NZ LYS A 34 4.704 14.742 8.016 1.00 0.00 N ATOM 0 H LYS A 34 -0.071 10.609 6.233 1.00 0.00 H new ATOM 0 HA LYS A 34 0.536 13.179 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.960 11.285 6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.933 12.227 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.208 14.296 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.867 13.543 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.516 13.930 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.588 12.210 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.846 12.749 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.435 12.889 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.715 14.787 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.157 15.283 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.555 15.148 8.962 1.00 0.00 H new ATOM 554 N CYS A 35 1.966 10.336 4.021 1.00 0.00 N ATOM 555 CA CYS A 35 2.481 9.600 2.872 1.00 0.00 C ATOM 556 C CYS A 35 2.607 8.114 3.190 1.00 0.00 C ATOM 557 O CYS A 35 2.613 7.716 4.356 1.00 0.00 O ATOM 558 CB CYS A 35 3.841 10.160 2.450 1.00 0.00 C ATOM 559 SG CYS A 35 3.781 11.861 1.840 1.00 0.00 S ATOM 0 H CYS A 35 2.134 9.885 4.921 1.00 0.00 H new ATOM 0 HA CYS A 35 1.775 9.719 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.521 10.114 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.260 9.521 1.673 1.00 0.00 H new ATOM 0 HG CYS A 35 2.559 12.300 1.898 1.00 0.00 H new ATOM 565 N LEU A 36 2.705 7.297 2.147 1.00 0.00 N ATOM 566 CA LEU A 36 2.828 5.854 2.314 1.00 0.00 C ATOM 567 C LEU A 36 4.286 5.451 2.509 1.00 0.00 C ATOM 568 O LEU A 36 5.136 5.724 1.662 1.00 0.00 O ATOM 569 CB LEU A 36 2.244 5.128 1.101 1.00 0.00 C ATOM 570 CG LEU A 36 2.598 3.646 0.971 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.963 2.845 2.096 1.00 0.00 C ATOM 572 CD2 LEU A 36 2.157 3.109 -0.383 1.00 0.00 C ATOM 0 H LEU A 36 2.702 7.610 1.176 1.00 0.00 H new ATOM 0 HA LEU A 36 2.269 5.567 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.158 5.220 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.579 5.641 0.200 1.00 0.00 H new ATOM 0 HG LEU A 36 3.681 3.543 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.226 1.793 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.328 3.213 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.879 2.954 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.417 2.053 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.078 3.225 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.660 3.663 -1.176 1.00 0.00 H new ATOM 584 N THR A 37 4.569 4.796 3.631 1.00 0.00 N ATOM 585 CA THR A 37 5.923 4.354 3.938 1.00 0.00 C ATOM 586 C THR A 37 6.019 2.833 3.935 1.00 0.00 C ATOM 587 O THR A 37 5.005 2.136 4.001 1.00 0.00 O ATOM 588 CB THR A 37 6.391 4.884 5.306 1.00 0.00 C ATOM 589 OG1 THR A 37 6.065 6.273 5.431 1.00 0.00 O ATOM 590 CG2 THR A 37 7.891 4.694 5.476 1.00 0.00 C ATOM 0 H THR A 37 3.877 4.560 4.342 1.00 0.00 H new ATOM 0 HA THR A 37 6.571 4.758 3.160 1.00 0.00 H new ATOM 0 HB THR A 37 5.878 4.319 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.364 6.602 6.304 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.198 5.076 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.133 3.633 5.409 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.418 5.237 4.691 1.00 0.00 H new ATOM 598 N LEU A 38 7.243 2.322 3.859 1.00 0.00 N ATOM 599 CA LEU A 38 7.471 0.881 3.849 1.00 0.00 C ATOM 600 C LEU A 38 8.529 0.490 4.876 1.00 0.00 C ATOM 601 O LEU A 38 9.583 1.119 4.967 1.00 0.00 O ATOM 602 CB LEU A 38 7.903 0.423 2.455 1.00 0.00 C ATOM 603 CG LEU A 38 6.777 0.028 1.499 1.00 0.00 C ATOM 604 CD1 LEU A 38 6.082 1.265 0.953 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.317 -0.828 0.363 1.00 0.00 C ATOM 0 H LEU A 38 8.093 2.884 3.803 1.00 0.00 H new ATOM 0 HA LEU A 38 6.535 0.388 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.480 1.225 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.574 -0.429 2.566 1.00 0.00 H new ATOM 0 HG LEU A 38 6.045 -0.560 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.284 0.964 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.660 1.839 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.803 1.880 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.501 -1.100 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.069 -0.266 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.767 -1.733 0.771 1.00 0.00 H new ATOM 617 N PHE A 39 8.241 -0.554 5.646 1.00 0.00 N ATOM 618 CA PHE A 39 9.169 -1.030 6.666 1.00 0.00 C ATOM 619 C PHE A 39 9.580 -2.475 6.395 1.00 0.00 C ATOM 620 O PHE A 39 8.896 -3.412 6.804 1.00 0.00 O ATOM 621 CB PHE A 39 8.534 -0.921 8.054 1.00 0.00 C ATOM 622 CG PHE A 39 8.742 0.417 8.704 1.00 0.00 C ATOM 623 CD1 PHE A 39 9.879 0.666 9.456 1.00 0.00 C ATOM 624 CD2 PHE A 39 7.801 1.424 8.564 1.00 0.00 C ATOM 625 CE1 PHE A 39 10.073 1.896 10.057 1.00 0.00 C ATOM 626 CE2 PHE A 39 7.990 2.656 9.162 1.00 0.00 C ATOM 627 CZ PHE A 39 9.128 2.893 9.908 1.00 0.00 C ATOM 0 H PHE A 39 7.373 -1.086 5.583 1.00 0.00 H new ATOM 0 HA PHE A 39 10.061 -0.404 6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.464 -1.114 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.949 -1.697 8.697 1.00 0.00 H new ATOM 0 HD1 PHE A 39 10.622 -0.109 9.574 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.910 1.245 7.981 1.00 0.00 H new ATOM 0 HE1 PHE A 39 10.962 2.077 10.642 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.248 3.433 9.046 1.00 0.00 H new ATOM 0 HZ PHE A 39 9.279 3.856 10.374 1.00 0.00 H new ATOM 637 N GLN A 40 10.702 -2.644 5.703 1.00 0.00 N ATOM 638 CA GLN A 40 11.204 -3.973 5.376 1.00 0.00 C ATOM 639 C GLN A 40 11.088 -4.909 6.575 1.00 0.00 C ATOM 640 O GLN A 40 10.773 -6.089 6.425 1.00 0.00 O ATOM 641 CB GLN A 40 12.661 -3.893 4.916 1.00 0.00 C ATOM 642 CG GLN A 40 13.201 -5.206 4.374 1.00 0.00 C ATOM 643 CD GLN A 40 14.496 -5.031 3.604 1.00 0.00 C ATOM 644 OE1 GLN A 40 15.581 -5.290 4.124 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.387 -4.588 2.357 1.00 0.00 N ATOM 0 H GLN A 40 11.280 -1.878 5.358 1.00 0.00 H new ATOM 0 HA GLN A 40 10.596 -4.374 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.748 -3.128 4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.281 -3.573 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.365 -5.896 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.454 -5.661 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.467 -4.386 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.223 -4.450 1.790 1.00 0.00 H new ATOM 654 N ASN A 41 11.345 -4.374 7.764 1.00 0.00 N ATOM 655 CA ASN A 41 11.270 -5.162 8.989 1.00 0.00 C ATOM 656 C ASN A 41 11.002 -4.267 10.195 1.00 0.00 C ATOM 657 O ASN A 41 11.490 -3.140 10.265 1.00 0.00 O ATOM 658 CB ASN A 41 12.569 -5.943 9.198 1.00 0.00 C ATOM 659 CG ASN A 41 13.797 -5.127 8.844 1.00 0.00 C ATOM 660 OD1 ASN A 41 14.047 -4.074 9.430 1.00 0.00 O ATOM 661 ND2 ASN A 41 14.572 -5.612 7.880 1.00 0.00 N ATOM 0 H ASN A 41 11.607 -3.398 7.905 1.00 0.00 H new ATOM 0 HA ASN A 41 10.443 -5.865 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.635 -6.261 10.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.549 -6.847 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.413 -5.107 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.326 -6.489 7.421 1.00 0.00 H new ATOM 755 N TYR A 48 12.125 1.153 3.741 1.00 0.00 N ATOM 756 CA TYR A 48 12.474 0.666 2.412 1.00 0.00 C ATOM 757 C TYR A 48 12.443 1.800 1.391 1.00 0.00 C ATOM 758 O TYR A 48 13.394 1.998 0.636 1.00 0.00 O ATOM 759 CB TYR A 48 11.514 -0.446 1.985 1.00 0.00 C ATOM 760 CG TYR A 48 11.677 -0.865 0.541 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.205 -0.066 -0.493 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.305 -2.060 0.211 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.351 -0.446 -1.813 1.00 0.00 C ATOM 764 CE2 TYR A 48 12.457 -2.447 -1.106 1.00 0.00 C ATOM 765 CZ TYR A 48 11.978 -1.637 -2.114 1.00 0.00 C ATOM 766 OH TYR A 48 12.126 -2.018 -3.428 1.00 0.00 O ATOM 0 HA TYR A 48 13.487 0.266 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.668 -1.314 2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.489 -0.111 2.144 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.716 0.868 -0.261 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.681 -2.697 0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.976 0.186 -2.605 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.948 -3.379 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 48 12.589 -2.881 -3.468 1.00 0.00 H new ATOM 776 N LYS A 49 11.341 2.542 1.375 1.00 0.00 N ATOM 777 CA LYS A 49 11.183 3.658 0.450 1.00 0.00 C ATOM 778 C LYS A 49 9.960 4.495 0.811 1.00 0.00 C ATOM 779 O LYS A 49 9.087 4.046 1.551 1.00 0.00 O ATOM 780 CB LYS A 49 11.057 3.144 -0.986 1.00 0.00 C ATOM 781 CG LYS A 49 11.086 4.245 -2.031 1.00 0.00 C ATOM 782 CD LYS A 49 11.555 3.722 -3.379 1.00 0.00 C ATOM 783 CE LYS A 49 10.530 2.786 -4.001 1.00 0.00 C ATOM 784 NZ LYS A 49 11.109 1.995 -5.122 1.00 0.00 N ATOM 0 H LYS A 49 10.544 2.391 1.993 1.00 0.00 H new ATOM 0 HA LYS A 49 12.069 4.289 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.869 2.444 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.125 2.587 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.090 4.677 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.748 5.045 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.739 4.560 -4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.502 3.197 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.147 2.108 -3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.683 3.366 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.379 1.370 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.451 2.641 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.902 1.421 -4.769 1.00 0.00 H new ATOM 798 N GLU A 50 9.905 5.713 0.281 1.00 0.00 N ATOM 799 CA GLU A 50 8.788 6.612 0.547 1.00 0.00 C ATOM 800 C GLU A 50 7.921 6.786 -0.697 1.00 0.00 C ATOM 801 O GLU A 50 8.429 7.037 -1.790 1.00 0.00 O ATOM 802 CB GLU A 50 9.301 7.974 1.019 1.00 0.00 C ATOM 803 CG GLU A 50 8.340 8.698 1.947 1.00 0.00 C ATOM 804 CD GLU A 50 8.538 8.321 3.402 1.00 0.00 C ATOM 805 OE1 GLU A 50 9.163 7.271 3.662 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.067 9.074 4.280 1.00 0.00 O ATOM 0 H GLU A 50 10.620 6.100 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 50 8.179 6.169 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.253 7.837 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.495 8.601 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.472 9.774 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.316 8.470 1.653 1.00 0.00 H new ATOM 813 N ILE A 51 6.611 6.650 -0.521 1.00 0.00 N ATOM 814 CA ILE A 51 5.674 6.792 -1.628 1.00 0.00 C ATOM 815 C ILE A 51 4.596 7.823 -1.307 1.00 0.00 C ATOM 816 O ILE A 51 3.560 7.512 -0.719 1.00 0.00 O ATOM 817 CB ILE A 51 4.999 5.451 -1.971 1.00 0.00 C ATOM 818 CG1 ILE A 51 6.055 4.371 -2.211 1.00 0.00 C ATOM 819 CG2 ILE A 51 4.104 5.605 -3.192 1.00 0.00 C ATOM 820 CD1 ILE A 51 5.525 2.962 -2.057 1.00 0.00 C ATOM 0 H ILE A 51 6.175 6.442 0.377 1.00 0.00 H new ATOM 0 HA ILE A 51 6.252 7.129 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 51 4.380 5.146 -1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.462 4.489 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.879 4.519 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.634 4.649 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.333 6.348 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.703 5.929 -4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.328 2.249 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.144 2.825 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.721 2.796 -2.773 1.00 0.00 H new ATOM 832 N PRO A 52 4.844 9.080 -1.704 1.00 0.00 N ATOM 833 CA PRO A 52 3.905 10.182 -1.471 1.00 0.00 C ATOM 834 C PRO A 52 2.644 10.059 -2.319 1.00 0.00 C ATOM 835 O PRO A 52 2.715 9.807 -3.523 1.00 0.00 O ATOM 836 CB PRO A 52 4.706 11.422 -1.880 1.00 0.00 C ATOM 837 CG PRO A 52 5.713 10.917 -2.855 1.00 0.00 C ATOM 838 CD PRO A 52 6.058 9.523 -2.410 1.00 0.00 C ATOM 0 HA PRO A 52 3.552 10.206 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.063 12.178 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.187 11.885 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.309 10.915 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.598 11.553 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.289 8.877 -3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.929 9.514 -1.755 1.00 0.00 H new ATOM 846 N LEU A 53 1.491 10.238 -1.685 1.00 0.00 N ATOM 847 CA LEU A 53 0.212 10.147 -2.382 1.00 0.00 C ATOM 848 C LEU A 53 0.332 10.669 -3.810 1.00 0.00 C ATOM 849 O LEU A 53 -0.247 10.106 -4.739 1.00 0.00 O ATOM 850 CB LEU A 53 -0.860 10.934 -1.627 1.00 0.00 C ATOM 851 CG LEU A 53 -1.032 10.586 -0.148 1.00 0.00 C ATOM 852 CD1 LEU A 53 -1.942 11.594 0.535 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.584 9.176 0.006 1.00 0.00 C ATOM 0 H LEU A 53 1.415 10.447 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.078 9.097 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.625 11.996 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.815 10.781 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.054 10.627 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.053 11.330 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.507 12.590 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.920 11.586 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.700 8.944 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.553 9.109 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.895 8.464 -0.448 1.00 0.00 H new ATOM 865 N SER A 54 1.090 11.749 -3.978 1.00 0.00 N ATOM 866 CA SER A 54 1.285 12.348 -5.293 1.00 0.00 C ATOM 867 C SER A 54 1.873 11.335 -6.270 1.00 0.00 C ATOM 868 O SER A 54 1.353 11.143 -7.369 1.00 0.00 O ATOM 869 CB SER A 54 2.204 13.567 -5.190 1.00 0.00 C ATOM 870 OG SER A 54 2.404 14.164 -6.459 1.00 0.00 O ATOM 0 H SER A 54 1.578 12.226 -3.220 1.00 0.00 H new ATOM 0 HA SER A 54 0.312 12.666 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.770 14.296 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.164 13.268 -4.770 1.00 0.00 H new ATOM 0 HG SER A 54 2.993 14.941 -6.366 1.00 0.00 H new ATOM 876 N GLU A 55 2.961 10.690 -5.861 1.00 0.00 N ATOM 877 CA GLU A 55 3.621 9.697 -6.701 1.00 0.00 C ATOM 878 C GLU A 55 2.596 8.818 -7.411 1.00 0.00 C ATOM 879 O GLU A 55 2.692 8.583 -8.616 1.00 0.00 O ATOM 880 CB GLU A 55 4.559 8.829 -5.861 1.00 0.00 C ATOM 881 CG GLU A 55 5.330 7.803 -6.674 1.00 0.00 C ATOM 882 CD GLU A 55 6.610 7.360 -5.992 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.508 8.208 -5.807 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.714 6.165 -5.642 1.00 0.00 O ATOM 0 H GLU A 55 3.404 10.837 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 55 4.205 10.226 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.267 9.473 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.976 8.312 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.697 6.933 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.570 8.224 -7.650 1.00 0.00 H new ATOM 891 N ILE A 56 1.616 8.334 -6.655 1.00 0.00 N ATOM 892 CA ILE A 56 0.573 7.481 -7.212 1.00 0.00 C ATOM 893 C ILE A 56 -0.333 8.265 -8.156 1.00 0.00 C ATOM 894 O ILE A 56 -0.933 9.268 -7.768 1.00 0.00 O ATOM 895 CB ILE A 56 -0.287 6.846 -6.103 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.600 6.101 -5.103 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.320 5.906 -6.706 1.00 0.00 C ATOM 898 CD1 ILE A 56 1.212 6.999 -4.052 1.00 0.00 C ATOM 0 H ILE A 56 1.522 8.518 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 56 1.076 6.690 -7.768 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.813 7.640 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.009 5.329 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.398 5.594 -5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.920 5.465 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.968 6.463 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.813 5.115 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.828 6.403 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.830 7.755 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.420 7.487 -3.484 1.00 0.00 H new ATOM 910 N LEU A 57 -0.429 7.800 -9.396 1.00 0.00 N ATOM 911 CA LEU A 57 -1.264 8.456 -10.397 1.00 0.00 C ATOM 912 C LEU A 57 -2.681 7.891 -10.379 1.00 0.00 C ATOM 913 O LEU A 57 -3.642 8.609 -10.101 1.00 0.00 O ATOM 914 CB LEU A 57 -0.653 8.287 -11.789 1.00 0.00 C ATOM 915 CG LEU A 57 0.732 8.901 -11.993 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.379 8.351 -13.255 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.638 10.419 -12.058 1.00 0.00 C ATOM 0 H LEU A 57 0.061 6.971 -9.733 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.313 9.518 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.592 7.221 -12.010 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.334 8.726 -12.518 1.00 0.00 H new ATOM 0 HG LEU A 57 1.357 8.631 -11.142 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.364 8.799 -13.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.481 7.269 -13.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.756 8.590 -14.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.633 10.839 -12.203 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.003 10.709 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.217 10.798 -11.127 1.00 0.00 H new ATOM 929 N ARG A 58 -2.802 6.601 -10.675 1.00 0.00 N ATOM 930 CA ARG A 58 -4.101 5.940 -10.691 1.00 0.00 C ATOM 931 C ARG A 58 -3.939 4.425 -10.773 1.00 0.00 C ATOM 932 O ARG A 58 -2.842 3.920 -11.011 1.00 0.00 O ATOM 933 CB ARG A 58 -4.936 6.439 -11.872 1.00 0.00 C ATOM 934 CG ARG A 58 -6.372 5.940 -11.857 1.00 0.00 C ATOM 935 CD ARG A 58 -7.242 6.718 -12.832 1.00 0.00 C ATOM 936 NE ARG A 58 -8.663 6.585 -12.523 1.00 0.00 N ATOM 937 CZ ARG A 58 -9.629 6.747 -13.421 1.00 0.00 C ATOM 938 NH1 ARG A 58 -9.327 7.045 -14.677 1.00 0.00 N ATOM 939 NH2 ARG A 58 -10.899 6.610 -13.063 1.00 0.00 N ATOM 0 H ARG A 58 -2.016 5.993 -10.907 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.616 6.183 -9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.939 7.529 -11.869 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.461 6.124 -12.801 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.393 4.881 -12.114 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.780 6.032 -10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.962 7.771 -12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.057 6.363 -13.846 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.929 6.355 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.352 7.150 -14.956 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.070 7.169 -15.365 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -11.135 6.380 -12.098 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.640 6.735 -13.753 1.00 0.00 H new ATOM 953 N ILE A 59 -5.039 3.706 -10.573 1.00 0.00 N ATOM 954 CA ILE A 59 -5.018 2.250 -10.625 1.00 0.00 C ATOM 955 C ILE A 59 -5.419 1.743 -12.006 1.00 0.00 C ATOM 956 O ILE A 59 -6.239 2.356 -12.690 1.00 0.00 O ATOM 957 CB ILE A 59 -5.960 1.636 -9.572 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.552 2.085 -8.167 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.950 0.118 -9.673 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.136 1.704 -7.799 1.00 0.00 C ATOM 0 H ILE A 59 -5.955 4.108 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.995 1.941 -10.410 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.974 1.987 -9.765 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.659 3.167 -8.095 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.238 1.648 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.620 -0.301 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.284 -0.183 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.939 -0.251 -9.503 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.915 2.054 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.029 0.620 -7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.441 2.163 -8.502 1.00 0.00 H new ATOM 972 N SER A 60 -4.836 0.618 -12.410 1.00 0.00 N ATOM 973 CA SER A 60 -5.131 0.029 -13.711 1.00 0.00 C ATOM 974 C SER A 60 -6.376 -0.850 -13.640 1.00 0.00 C ATOM 975 O SER A 60 -6.976 -1.010 -12.577 1.00 0.00 O ATOM 976 CB SER A 60 -3.939 -0.794 -14.203 1.00 0.00 C ATOM 977 OG SER A 60 -4.180 -1.316 -15.498 1.00 0.00 O ATOM 0 H SER A 60 -4.157 0.097 -11.855 1.00 0.00 H new ATOM 0 HA SER A 60 -5.320 0.839 -14.415 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.045 -0.171 -14.219 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.746 -1.611 -13.508 1.00 0.00 H new ATOM 0 HG SER A 60 -3.403 -1.837 -15.791 1.00 0.00 H new ATOM 1185 N HIS A 75 -2.762 -11.333 -7.989 1.00 0.00 N ATOM 1186 CA HIS A 75 -2.845 -9.981 -7.448 1.00 0.00 C ATOM 1187 C HIS A 75 -4.282 -9.469 -7.480 1.00 0.00 C ATOM 1188 O HIS A 75 -5.182 -10.150 -7.973 1.00 0.00 O ATOM 1189 CB HIS A 75 -1.937 -9.036 -8.237 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.503 -8.632 -9.563 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.865 -9.540 -10.536 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.771 -7.407 -10.075 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -3.328 -8.891 -11.590 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -3.282 -7.596 -11.335 1.00 0.00 N ATOM 0 HA HIS A 75 -2.512 -10.011 -6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.752 -8.142 -7.642 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -0.973 -9.519 -8.394 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.612 -6.458 -9.584 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.683 -9.343 -12.504 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.578 -6.856 -11.971 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.489 -8.268 -6.952 1.00 0.00 N ATOM 1204 CA CYS A 76 -5.818 -7.667 -6.919 1.00 0.00 C ATOM 1205 C CYS A 76 -5.840 -6.356 -7.697 1.00 0.00 C ATOM 1206 O CYS A 76 -6.754 -6.103 -8.483 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.254 -7.423 -5.473 1.00 0.00 C ATOM 1208 SG CYS A 76 -6.330 -8.921 -4.463 1.00 0.00 S ATOM 0 H CYS A 76 -3.755 -7.691 -6.541 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.516 -8.360 -7.389 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.562 -6.720 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.236 -6.949 -5.476 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.513 -8.809 -3.458 1.00 0.00 H new ATOM 1214 N PHE A 77 -4.829 -5.523 -7.473 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.734 -4.236 -8.151 1.00 0.00 C ATOM 1216 C PHE A 77 -3.283 -3.905 -8.489 1.00 0.00 C ATOM 1217 O PHE A 77 -2.364 -4.619 -8.089 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.331 -3.130 -7.279 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.598 -2.927 -5.984 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.880 -3.718 -4.881 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.628 -1.944 -5.868 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.207 -3.533 -3.688 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.952 -1.755 -4.678 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.242 -2.550 -3.586 1.00 0.00 C ATOM 0 H PHE A 77 -4.064 -5.717 -6.827 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.300 -4.301 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.328 -2.195 -7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.372 -3.370 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.634 -4.488 -4.955 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.398 -1.318 -6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.435 -4.157 -2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.197 -0.986 -4.601 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.715 -2.403 -2.655 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.087 -2.817 -9.228 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.749 -2.393 -9.621 1.00 0.00 C ATOM 1236 C GLU A 78 -1.574 -0.890 -9.421 1.00 0.00 C ATOM 1237 O GLU A 78 -2.324 -0.088 -9.977 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.482 -2.758 -11.083 1.00 0.00 C ATOM 1239 CG GLU A 78 -1.876 -4.182 -11.436 1.00 0.00 C ATOM 1240 CD GLU A 78 -2.017 -4.395 -12.931 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -1.200 -3.832 -13.690 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.945 -5.123 -13.342 1.00 0.00 O ATOM 0 H GLU A 78 -3.837 -2.214 -9.566 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.031 -2.913 -8.987 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.029 -2.069 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.422 -2.620 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.127 -4.870 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.819 -4.426 -10.948 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.579 -0.518 -8.622 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.305 0.888 -8.349 1.00 0.00 C ATOM 1251 C ILE A 79 0.618 1.484 -9.406 1.00 0.00 C ATOM 1252 O ILE A 79 1.778 1.087 -9.526 1.00 0.00 O ATOM 1253 CB ILE A 79 0.333 1.077 -6.960 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.546 0.441 -5.880 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.547 2.555 -6.673 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.049 0.523 -4.492 1.00 0.00 C ATOM 0 H ILE A 79 0.050 -1.170 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.263 1.407 -8.374 1.00 0.00 H new ATOM 0 HB ILE A 79 1.303 0.581 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.519 0.932 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.717 -0.606 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.999 2.673 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.208 2.980 -7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.412 3.073 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.627 0.053 -3.778 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.009 0.007 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.195 1.568 -4.220 1.00 0.00 H new ATOM 1268 N ILE A 80 0.098 2.439 -10.168 1.00 0.00 N ATOM 1269 CA ILE A 80 0.877 3.092 -11.213 1.00 0.00 C ATOM 1270 C ILE A 80 1.416 4.437 -10.737 1.00 0.00 C ATOM 1271 O ILE A 80 0.651 5.350 -10.424 1.00 0.00 O ATOM 1272 CB ILE A 80 0.039 3.309 -12.487 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.464 1.968 -13.027 1.00 0.00 C ATOM 1274 CG2 ILE A 80 0.859 4.036 -13.542 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.804 1.554 -12.460 1.00 0.00 C ATOM 0 H ILE A 80 -0.860 2.778 -10.082 1.00 0.00 H new ATOM 0 HA ILE A 80 1.711 2.430 -11.445 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.824 3.926 -12.236 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.541 2.028 -14.113 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.271 1.196 -12.802 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.254 4.182 -14.437 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.174 5.005 -13.154 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.738 3.442 -13.792 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.099 0.595 -12.886 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.728 1.461 -11.377 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.552 2.307 -12.708 1.00 0.00 H new ATOM 1287 N THR A 81 2.739 4.554 -10.688 1.00 0.00 N ATOM 1288 CA THR A 81 3.382 5.787 -10.251 1.00 0.00 C ATOM 1289 C THR A 81 4.089 6.478 -11.411 1.00 0.00 C ATOM 1290 O THR A 81 4.075 5.988 -12.540 1.00 0.00 O ATOM 1291 CB THR A 81 4.401 5.522 -9.128 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.382 4.577 -9.569 1.00 0.00 O ATOM 1293 CG2 THR A 81 3.707 4.996 -7.880 1.00 0.00 C ATOM 0 H THR A 81 3.387 3.809 -10.946 1.00 0.00 H new ATOM 0 HA THR A 81 2.594 6.437 -9.870 1.00 0.00 H new ATOM 0 HB THR A 81 4.890 6.464 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.271 4.988 -9.535 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.447 4.816 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.982 5.731 -7.530 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.194 4.064 -8.115 1.00 0.00 H new ATOM 1301 N ASP A 82 4.708 7.619 -11.125 1.00 0.00 N ATOM 1302 CA ASP A 82 5.423 8.377 -12.145 1.00 0.00 C ATOM 1303 C ASP A 82 6.764 7.725 -12.467 1.00 0.00 C ATOM 1304 O ASP A 82 7.545 8.245 -13.264 1.00 0.00 O ATOM 1305 CB ASP A 82 5.641 9.818 -11.680 1.00 0.00 C ATOM 1306 CG ASP A 82 5.700 10.796 -12.837 1.00 0.00 C ATOM 1307 OD1 ASP A 82 5.171 10.468 -13.919 1.00 0.00 O ATOM 1308 OD2 ASP A 82 6.275 11.891 -12.660 1.00 0.00 O ATOM 0 H ASP A 82 4.729 8.039 -10.196 1.00 0.00 H new ATOM 0 HA ASP A 82 4.816 8.383 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.834 10.105 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.569 9.877 -11.110 1.00 0.00 H new ATOM 1313 N THR A 83 7.025 6.581 -11.841 1.00 0.00 N ATOM 1314 CA THR A 83 8.272 5.858 -12.059 1.00 0.00 C ATOM 1315 C THR A 83 8.024 4.539 -12.781 1.00 0.00 C ATOM 1316 O THR A 83 8.327 4.403 -13.966 1.00 0.00 O ATOM 1317 CB THR A 83 8.996 5.575 -10.729 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.091 4.975 -9.796 1.00 0.00 O ATOM 1319 CG2 THR A 83 9.565 6.856 -10.139 1.00 0.00 C ATOM 0 H THR A 83 6.389 6.136 -11.179 1.00 0.00 H new ATOM 0 HA THR A 83 8.903 6.495 -12.679 1.00 0.00 H new ATOM 0 HB THR A 83 9.819 4.889 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.560 4.797 -8.954 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.071 6.631 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.276 7.294 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.756 7.562 -9.954 1.00 0.00 H new ATOM 1327 N MET A 84 7.471 3.570 -12.059 1.00 0.00 N ATOM 1328 CA MET A 84 7.180 2.261 -12.633 1.00 0.00 C ATOM 1329 C MET A 84 5.849 1.725 -12.117 1.00 0.00 C ATOM 1330 O MET A 84 5.265 2.277 -11.184 1.00 0.00 O ATOM 1331 CB MET A 84 8.303 1.275 -12.303 1.00 0.00 C ATOM 1332 CG MET A 84 9.430 1.274 -13.323 1.00 0.00 C ATOM 1333 SD MET A 84 10.802 0.209 -12.841 1.00 0.00 S ATOM 1334 CE MET A 84 10.078 -1.410 -13.091 1.00 0.00 C ATOM 0 H MET A 84 7.216 3.666 -11.076 1.00 0.00 H new ATOM 0 HA MET A 84 7.111 2.373 -13.715 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.712 1.518 -11.322 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.885 0.271 -12.234 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.042 0.946 -14.287 1.00 0.00 H new ATOM 0 HG3 MET A 84 9.795 2.292 -13.456 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.853 -2.172 -13.007 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.312 -1.587 -12.336 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.627 -1.458 -14.082 1.00 0.00 H new ATOM 1344 N VAL A 85 5.374 0.645 -12.729 1.00 0.00 N ATOM 1345 CA VAL A 85 4.111 0.033 -12.331 1.00 0.00 C ATOM 1346 C VAL A 85 4.332 -1.044 -11.275 1.00 0.00 C ATOM 1347 O VAL A 85 5.233 -1.874 -11.398 1.00 0.00 O ATOM 1348 CB VAL A 85 3.383 -0.587 -13.538 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.177 -1.392 -13.078 1.00 0.00 C ATOM 1350 CG2 VAL A 85 2.968 0.495 -14.523 1.00 0.00 C ATOM 0 H VAL A 85 5.845 0.175 -13.503 1.00 0.00 H new ATOM 0 HA VAL A 85 3.492 0.826 -11.912 1.00 0.00 H new ATOM 0 HB VAL A 85 4.070 -1.264 -14.046 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.675 -1.823 -13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.505 -2.192 -12.414 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.485 -0.739 -12.545 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.455 0.039 -15.370 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.298 1.199 -14.029 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.853 1.024 -14.877 1.00 0.00 H new ATOM 1360 N TYR A 86 3.502 -1.026 -10.238 1.00 0.00 N ATOM 1361 CA TYR A 86 3.607 -2.001 -9.158 1.00 0.00 C ATOM 1362 C TYR A 86 2.355 -2.870 -9.086 1.00 0.00 C ATOM 1363 O TYR A 86 1.256 -2.425 -9.414 1.00 0.00 O ATOM 1364 CB TYR A 86 3.826 -1.291 -7.822 1.00 0.00 C ATOM 1365 CG TYR A 86 5.012 -0.353 -7.822 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.252 -0.769 -8.290 1.00 0.00 C ATOM 1367 CD2 TYR A 86 4.892 0.950 -7.353 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.339 0.084 -8.291 1.00 0.00 C ATOM 1369 CE2 TYR A 86 5.973 1.811 -7.352 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.194 1.373 -7.822 1.00 0.00 C ATOM 1371 OH TYR A 86 8.273 2.227 -7.821 1.00 0.00 O ATOM 0 H TYR A 86 2.749 -0.347 -10.122 1.00 0.00 H new ATOM 0 HA TYR A 86 4.463 -2.644 -9.364 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.928 -0.728 -7.568 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.965 -2.039 -7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.368 -1.777 -8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.938 1.295 -6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.296 -0.257 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.863 2.821 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 86 8.002 3.097 -7.460 1.00 0.00 H new ATOM 1381 N PHE A 87 2.531 -4.115 -8.653 1.00 0.00 N ATOM 1382 CA PHE A 87 1.417 -5.048 -8.537 1.00 0.00 C ATOM 1383 C PHE A 87 1.271 -5.545 -7.102 1.00 0.00 C ATOM 1384 O PHE A 87 2.080 -6.340 -6.623 1.00 0.00 O ATOM 1385 CB PHE A 87 1.619 -6.235 -9.481 1.00 0.00 C ATOM 1386 CG PHE A 87 1.750 -5.838 -10.924 1.00 0.00 C ATOM 1387 CD1 PHE A 87 2.846 -5.110 -11.359 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.778 -6.194 -11.845 1.00 0.00 C ATOM 1389 CE1 PHE A 87 2.969 -4.743 -12.685 1.00 0.00 C ATOM 1390 CE2 PHE A 87 0.896 -5.830 -13.174 1.00 0.00 C ATOM 1391 CZ PHE A 87 1.993 -5.104 -13.594 1.00 0.00 C ATOM 0 H PHE A 87 3.434 -4.500 -8.377 1.00 0.00 H new ATOM 0 HA PHE A 87 0.504 -4.522 -8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.513 -6.780 -9.180 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.778 -6.920 -9.376 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.613 -4.826 -10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.082 -6.762 -11.521 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.827 -4.174 -13.011 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.131 -6.113 -13.882 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.088 -4.819 -14.631 1.00 0.00 H new ATOM 1401 N VAL A 88 0.234 -5.069 -6.420 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.020 -5.464 -5.040 1.00 0.00 C ATOM 1403 C VAL A 88 -1.309 -6.270 -4.927 1.00 0.00 C ATOM 1404 O VAL A 88 -2.261 -6.046 -5.673 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.111 -4.238 -4.113 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.290 -4.674 -2.666 1.00 0.00 C ATOM 1407 CG2 VAL A 88 1.123 -3.362 -4.265 1.00 0.00 C ATOM 0 H VAL A 88 -0.444 -4.409 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 88 0.821 -6.084 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.983 -3.651 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.352 -3.794 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.207 -5.257 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.560 -5.284 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.041 -2.500 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.012 -3.937 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.202 -3.020 -5.297 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.332 -7.210 -3.987 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.510 -8.036 -3.793 1.00 0.00 C ATOM 1419 C GLY A 89 -2.165 -9.495 -3.572 1.00 0.00 C ATOM 1420 O GLY A 89 -1.404 -10.082 -4.340 1.00 0.00 O ATOM 0 H GLY A 89 -0.557 -7.414 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.073 -7.665 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.160 -7.947 -4.664 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.726 -10.082 -2.519 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.470 -11.481 -2.199 1.00 0.00 C ATOM 1426 C GLU A 90 -3.775 -12.221 -1.916 1.00 0.00 C ATOM 1427 O GLU A 90 -4.346 -12.103 -0.833 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.538 -11.589 -0.990 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.390 -13.005 -0.460 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.255 -13.761 -1.125 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.168 -13.350 -2.225 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.210 -14.763 -0.543 1.00 0.00 O ATOM 0 H GLU A 90 -3.360 -9.611 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.989 -11.942 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.554 -11.208 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.916 -10.949 -0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.217 -12.970 0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.323 -13.547 -0.616 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.240 -12.985 -2.900 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.477 -13.744 -2.758 1.00 0.00 C ATOM 1441 C ASN A 91 -5.202 -15.244 -2.793 1.00 0.00 C ATOM 1442 O ASN A 91 -4.675 -15.766 -3.775 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.460 -13.368 -3.869 1.00 0.00 C ATOM 1444 CG ASN A 91 -7.869 -13.850 -3.581 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -8.150 -14.376 -2.504 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -8.764 -13.672 -4.547 1.00 0.00 N ATOM 0 H ASN A 91 -3.779 -13.095 -3.803 1.00 0.00 H new ATOM 0 HA ASN A 91 -5.918 -13.496 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.467 -12.285 -3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.119 -13.794 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.728 -13.976 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.487 -13.231 -5.424 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.019 -12.469 1.647 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.349 -12.760 1.144 1.00 0.00 C ATOM 1648 C GLY A 107 -6.891 -11.654 0.261 1.00 0.00 C ATOM 1649 O GLY A 107 -6.188 -10.689 -0.039 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.324 -13.692 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.026 -12.914 1.984 1.00 0.00 H new ATOM 1653 N LEU A 108 -8.144 -11.793 -0.157 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.780 -10.798 -1.013 1.00 0.00 C ATOM 1655 C LEU A 108 -9.394 -9.677 -0.180 1.00 0.00 C ATOM 1656 O LEU A 108 -9.188 -8.496 -0.463 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.857 -11.454 -1.878 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.704 -10.507 -2.730 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.844 -9.820 -3.779 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.850 -11.262 -3.387 1.00 0.00 C ATOM 0 H LEU A 108 -8.740 -12.585 0.083 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.015 -10.369 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.375 -12.173 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.524 -12.019 -1.226 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.126 -9.742 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.463 -9.150 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.059 -9.246 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.392 -10.571 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.442 -10.573 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.449 -12.049 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.482 -11.706 -2.618 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.147 -10.054 0.847 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.788 -9.080 1.723 1.00 0.00 C ATOM 1674 C ASP A 109 -9.803 -7.994 2.142 1.00 0.00 C ATOM 1675 O ASP A 109 -10.083 -6.803 2.011 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.358 -9.774 2.962 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.137 -8.825 3.850 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -13.086 -8.187 3.348 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -11.798 -8.719 5.048 1.00 0.00 O ATOM 0 H ASP A 109 -10.329 -11.027 1.094 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.603 -8.612 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.008 -10.591 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.543 -10.216 3.535 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.647 -8.414 2.649 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.620 -7.477 3.087 1.00 0.00 C ATOM 1686 C VAL A 110 -7.255 -6.500 1.975 1.00 0.00 C ATOM 1687 O VAL A 110 -7.236 -5.287 2.181 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.347 -8.214 3.546 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.823 -9.115 2.438 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.283 -7.218 3.982 1.00 0.00 C ATOM 0 H VAL A 110 -8.399 -9.397 2.766 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.035 -6.924 3.930 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.599 -8.840 4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.924 -9.627 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.583 -9.851 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.586 -8.513 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.391 -7.756 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.032 -6.565 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.663 -6.619 4.810 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.967 -7.038 0.794 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.605 -6.214 -0.353 1.00 0.00 C ATOM 1702 C ALA A 111 -7.667 -5.153 -0.623 1.00 0.00 C ATOM 1703 O ALA A 111 -7.347 -3.986 -0.848 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.400 -7.084 -1.584 1.00 0.00 C ATOM 0 H ALA A 111 -6.977 -8.041 0.607 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.670 -5.704 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.130 -6.456 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.601 -7.800 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.322 -7.620 -1.808 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.930 -5.567 -0.600 1.00 0.00 N ATOM 1711 CA GLN A 112 -10.038 -4.652 -0.844 1.00 0.00 C ATOM 1712 C GLN A 112 -9.950 -3.435 0.071 1.00 0.00 C ATOM 1713 O GLN A 112 -10.295 -2.321 -0.326 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.374 -5.367 -0.634 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.607 -6.516 -1.601 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.076 -6.858 -1.758 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.944 -6.184 -1.204 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.361 -7.910 -2.517 1.00 0.00 N ATOM 0 H GLN A 112 -9.211 -6.530 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.975 -4.312 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.417 -5.748 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -12.184 -4.645 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.192 -6.256 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.068 -7.396 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.609 -8.440 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.332 -8.188 -2.660 1.00 0.00 H new ATOM 1727 N SER A 113 -9.487 -3.654 1.297 1.00 0.00 N ATOM 1728 CA SER A 113 -9.358 -2.576 2.270 1.00 0.00 C ATOM 1729 C SER A 113 -8.272 -1.591 1.848 1.00 0.00 C ATOM 1730 O SER A 113 -8.481 -0.377 1.862 1.00 0.00 O ATOM 1731 CB SER A 113 -9.037 -3.145 3.654 1.00 0.00 C ATOM 1732 OG SER A 113 -10.163 -3.802 4.209 1.00 0.00 O ATOM 0 H SER A 113 -9.195 -4.569 1.640 1.00 0.00 H new ATOM 0 HA SER A 113 -10.309 -2.045 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.204 -3.844 3.579 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.718 -2.340 4.317 1.00 0.00 H new ATOM 0 HG SER A 113 -9.932 -4.158 5.092 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.114 -2.121 1.475 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.994 -1.289 1.049 1.00 0.00 C ATOM 1740 C TRP A 114 -6.368 -0.457 -0.172 1.00 0.00 C ATOM 1741 O TRP A 114 -6.404 0.771 -0.109 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.776 -2.160 0.734 1.00 0.00 C ATOM 1743 CG TRP A 114 -3.949 -2.483 1.942 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -3.916 -3.669 2.619 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -3.038 -1.608 2.616 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.039 -3.584 3.673 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.487 -2.330 3.693 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.632 -0.287 2.414 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.554 -1.773 4.563 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.706 0.266 3.278 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -1.175 -0.477 4.341 1.00 0.00 C ATOM 0 H TRP A 114 -6.925 -3.123 1.459 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.746 -0.611 1.866 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.112 -3.089 0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.152 -1.648 0.001 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.494 -4.545 2.363 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -2.832 -4.333 4.334 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.035 0.292 1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.144 -2.343 5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -1.386 1.287 3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.452 -0.017 4.998 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.646 -1.134 -1.282 1.00 0.00 N ATOM 1763 CA GLU A 115 -7.017 -0.454 -2.518 1.00 0.00 C ATOM 1764 C GLU A 115 -7.947 0.722 -2.234 1.00 0.00 C ATOM 1765 O GLU A 115 -7.819 1.789 -2.835 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.694 -1.432 -3.481 1.00 0.00 C ATOM 1767 CG GLU A 115 -8.073 -0.809 -4.814 1.00 0.00 C ATOM 1768 CD GLU A 115 -9.275 -1.480 -5.450 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -10.114 -2.026 -4.703 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -9.376 -1.461 -6.695 1.00 0.00 O ATOM 0 H GLU A 115 -6.621 -2.151 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.106 -0.072 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.025 -2.274 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.591 -1.832 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -8.287 0.250 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.224 -0.872 -5.495 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.883 0.520 -1.313 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.835 1.562 -0.947 1.00 0.00 C ATOM 1779 C LYS A 116 -9.160 2.647 -0.114 1.00 0.00 C ATOM 1780 O LYS A 116 -9.503 3.824 -0.216 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.006 0.960 -0.167 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.105 0.401 -1.055 1.00 0.00 C ATOM 1783 CD LYS A 116 -12.889 1.510 -1.737 1.00 0.00 C ATOM 1784 CE LYS A 116 -13.509 1.033 -3.041 1.00 0.00 C ATOM 1785 NZ LYS A 116 -14.704 0.175 -2.806 1.00 0.00 N ATOM 0 H LYS A 116 -9.003 -0.357 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.212 2.014 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.632 0.165 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.430 1.725 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -11.667 -0.253 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -12.782 -0.210 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.673 1.867 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.229 2.355 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.794 1.895 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -12.768 0.475 -3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.098 -0.130 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.428 -0.661 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.422 0.716 -2.283 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.198 2.243 0.708 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.473 3.181 1.556 1.00 0.00 C ATOM 1801 C ALA A 117 -6.506 4.028 0.735 1.00 0.00 C ATOM 1802 O ALA A 117 -6.585 5.257 0.739 1.00 0.00 O ATOM 1803 CB ALA A 117 -6.725 2.435 2.651 1.00 0.00 C ATOM 0 H ALA A 117 -7.902 1.272 0.805 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.199 3.850 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.188 3.149 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.435 1.879 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.015 1.742 2.199 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.594 3.363 0.033 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.613 4.056 -0.793 1.00 0.00 C ATOM 1811 C ILE A 118 -5.294 4.925 -1.844 1.00 0.00 C ATOM 1812 O ILE A 118 -4.954 6.097 -2.010 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.669 3.063 -1.497 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -2.813 2.322 -0.468 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.788 3.792 -2.501 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.074 1.133 -1.041 1.00 0.00 C ATOM 0 H ILE A 118 -5.514 2.346 0.020 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.029 4.689 -0.125 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.271 2.331 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.090 3.017 -0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.452 1.984 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.126 3.077 -2.991 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.414 4.278 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.191 4.543 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.488 0.656 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.792 0.418 -1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.409 1.467 -1.838 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.259 4.344 -2.550 1.00 0.00 N ATOM 1829 CA ARG A 119 -6.989 5.066 -3.585 1.00 0.00 C ATOM 1830 C ARG A 119 -7.725 6.265 -2.995 1.00 0.00 C ATOM 1831 O ARG A 119 -7.699 7.359 -3.558 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.984 4.135 -4.281 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.588 4.725 -5.544 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.769 5.629 -5.228 1.00 0.00 C ATOM 1835 NE ARG A 119 -10.747 5.653 -6.312 1.00 0.00 N ATOM 1836 CZ ARG A 119 -11.940 6.230 -6.214 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -12.299 6.828 -5.087 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -12.775 6.210 -7.245 1.00 0.00 N ATOM 0 H ARG A 119 -6.553 3.376 -2.424 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.268 5.429 -4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.481 3.201 -4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.786 3.889 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -7.828 5.292 -6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -8.911 3.920 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.252 5.288 -4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.411 6.641 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.501 5.202 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.659 6.846 -4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.215 7.270 -5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -12.501 5.751 -8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.690 6.653 -7.169 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.380 6.050 -1.859 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.125 7.113 -1.194 1.00 0.00 C ATOM 1854 C GLN A 120 -8.207 8.277 -0.832 1.00 0.00 C ATOM 1855 O GLN A 120 -8.559 9.440 -1.022 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.807 6.576 0.065 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.580 7.634 0.836 1.00 0.00 C ATOM 1858 CD GLN A 120 -11.498 7.037 1.885 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -11.890 5.874 1.794 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.846 7.833 2.889 1.00 0.00 N ATOM 0 H GLN A 120 -8.410 5.150 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.886 7.475 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.488 5.772 -0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.052 6.140 0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -9.877 8.313 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.170 8.228 0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.497 8.791 2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -12.462 7.487 3.625 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.028 7.954 -0.311 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.059 8.972 0.075 1.00 0.00 C ATOM 1871 C ALA A 121 -5.877 10.005 -1.032 1.00 0.00 C ATOM 1872 O ALA A 121 -5.954 11.210 -0.789 1.00 0.00 O ATOM 1873 CB ALA A 121 -4.725 8.326 0.422 1.00 0.00 C ATOM 0 H ALA A 121 -6.721 6.995 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.441 9.487 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.011 9.098 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.862 7.632 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.346 7.785 -0.445 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.634 9.526 -2.247 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.440 10.409 -3.392 1.00 0.00 C ATOM 1881 C LEU A 122 -6.542 11.461 -3.461 1.00 0.00 C ATOM 1882 O LEU A 122 -6.281 12.630 -3.744 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.412 9.597 -4.688 1.00 0.00 C ATOM 1884 CG LEU A 122 -4.040 9.089 -5.133 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.484 8.098 -4.122 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -4.128 8.454 -6.513 1.00 0.00 C ATOM 0 H LEU A 122 -5.567 8.532 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.484 10.918 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.074 8.739 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.826 10.212 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.360 9.939 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.507 7.747 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.383 8.586 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.163 7.250 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.142 8.098 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.823 7.615 -6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.481 9.193 -7.232 1.00 0.00 H new