USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 875 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 58 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -3.47! C(o=-4.5!,f=-3.5!) USER MOD Set 2.1: A 23 TYR OH : rot -98:sc= -0.481 USER MOD Set 2.2: A 34 MET CE :methyl -124:sc= -2.58 (180deg=-6.36!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -3.04 X(o=-3,f=-3.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -30:sc= 0.0265 USER MOD Single : A 55 TYR OH : rot 165:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.6 K(o=-2.6,f=-10!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -3.43 F(o=-4.2!,f=-3.4) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -177:sc= 0.0258 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -34:sc= 0.618 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 167:sc= -0.865 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 140:sc= -0.58 (180deg=-1.67!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 57:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -2.059 -9.137 -10.967 1.00 0.00 N ATOM 151 CA ASN A 14 -2.358 -8.168 -9.919 1.00 0.00 C ATOM 152 C ASN A 14 -2.080 -6.746 -10.396 1.00 0.00 C ATOM 153 O ASN A 14 -0.946 -6.379 -10.705 1.00 0.00 O ATOM 154 CB ASN A 14 -1.530 -8.469 -8.667 1.00 0.00 C ATOM 155 CG ASN A 14 -1.716 -9.892 -8.179 1.00 0.00 C ATOM 156 OD1 ASN A 14 -2.751 -10.234 -7.606 1.00 0.00 O ATOM 157 ND2 ASN A 14 -0.711 -10.731 -8.405 1.00 0.00 N ATOM 0 HA ASN A 14 -3.417 -8.249 -9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.475 -8.297 -8.882 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.811 -7.776 -7.874 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.779 -11.702 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.128 -10.404 -8.884 1.00 0.00 H new ATOM 164 N PRO A 15 -3.139 -5.925 -10.458 1.00 0.00 N ATOM 165 CA PRO A 15 -3.035 -4.530 -10.896 1.00 0.00 C ATOM 166 C PRO A 15 -2.296 -3.659 -9.886 1.00 0.00 C ATOM 167 O PRO A 15 -1.363 -2.937 -10.240 1.00 0.00 O ATOM 168 CB PRO A 15 -4.495 -4.087 -11.018 1.00 0.00 C ATOM 169 CG PRO A 15 -5.240 -4.976 -10.083 1.00 0.00 C ATOM 170 CD PRO A 15 -4.520 -6.296 -10.105 1.00 0.00 C ATOM 0 HA PRO A 15 -2.468 -4.434 -11.822 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.614 -3.038 -10.747 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.857 -4.195 -12.040 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.257 -4.557 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.277 -5.092 -10.398 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.567 -6.796 -9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.953 -6.978 -10.837 1.00 0.00 H new ATOM 178 N HIS A 16 -2.717 -3.733 -8.628 1.00 0.00 N ATOM 179 CA HIS A 16 -2.094 -2.951 -7.566 1.00 0.00 C ATOM 180 C HIS A 16 -0.578 -3.127 -7.580 1.00 0.00 C ATOM 181 O HIS A 16 0.168 -2.151 -7.635 1.00 0.00 O ATOM 182 CB HIS A 16 -2.654 -3.363 -6.204 1.00 0.00 C ATOM 183 CG HIS A 16 -2.712 -4.846 -6.004 1.00 0.00 C ATOM 184 ND1 HIS A 16 -3.687 -5.644 -6.565 1.00 0.00 N ATOM 185 CD2 HIS A 16 -1.907 -5.677 -5.301 1.00 0.00 C ATOM 186 CE1 HIS A 16 -3.481 -6.900 -6.215 1.00 0.00 C ATOM 187 NE2 HIS A 16 -2.406 -6.948 -5.448 1.00 0.00 N ATOM 0 H HIS A 16 -3.487 -4.326 -8.319 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.322 -1.900 -7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.039 -2.923 -5.419 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.657 -2.950 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.035 -5.393 -4.731 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.088 -7.745 -6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.011 -7.792 -5.033 1.00 0.00 H new ATOM 196 N GLU A 17 -0.132 -4.379 -7.529 1.00 0.00 N ATOM 197 CA GLU A 17 1.294 -4.681 -7.535 1.00 0.00 C ATOM 198 C GLU A 17 2.049 -3.729 -8.458 1.00 0.00 C ATOM 199 O GLU A 17 3.137 -3.259 -8.127 1.00 0.00 O ATOM 200 CB GLU A 17 1.530 -6.128 -7.973 1.00 0.00 C ATOM 201 CG GLU A 17 2.735 -6.776 -7.312 1.00 0.00 C ATOM 202 CD GLU A 17 4.021 -6.533 -8.078 1.00 0.00 C ATOM 203 OE1 GLU A 17 4.629 -5.459 -7.891 1.00 0.00 O ATOM 204 OE2 GLU A 17 4.419 -7.418 -8.864 1.00 0.00 O ATOM 0 H GLU A 17 -0.737 -5.199 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 17 1.671 -4.550 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.641 -6.717 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.662 -6.154 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.841 -6.388 -6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.565 -7.849 -7.227 1.00 0.00 H new ATOM 211 N SER A 18 1.463 -3.450 -9.618 1.00 0.00 N ATOM 212 CA SER A 18 2.081 -2.558 -10.592 1.00 0.00 C ATOM 213 C SER A 18 1.911 -1.100 -10.177 1.00 0.00 C ATOM 214 O SER A 18 2.850 -0.307 -10.254 1.00 0.00 O ATOM 215 CB SER A 18 1.471 -2.780 -11.977 1.00 0.00 C ATOM 216 OG SER A 18 2.383 -2.418 -13.000 1.00 0.00 O ATOM 0 H SER A 18 0.561 -3.829 -9.906 1.00 0.00 H new ATOM 0 HA SER A 18 3.146 -2.785 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.189 -3.827 -12.090 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.558 -2.192 -12.074 1.00 0.00 H new ATOM 0 HG SER A 18 1.970 -2.571 -13.876 1.00 0.00 H new ATOM 222 N LYS A 19 0.707 -0.753 -9.737 1.00 0.00 N ATOM 223 CA LYS A 19 0.411 0.609 -9.308 1.00 0.00 C ATOM 224 C LYS A 19 1.620 1.237 -8.621 1.00 0.00 C ATOM 225 O LYS A 19 2.350 0.583 -7.876 1.00 0.00 O ATOM 226 CB LYS A 19 -0.790 0.618 -8.359 1.00 0.00 C ATOM 227 CG LYS A 19 -2.077 0.134 -9.004 1.00 0.00 C ATOM 228 CD LYS A 19 -2.523 1.061 -10.122 1.00 0.00 C ATOM 229 CE LYS A 19 -3.901 0.683 -10.643 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.377 1.628 -11.690 1.00 0.00 N ATOM 0 H LYS A 19 -0.081 -1.397 -9.668 1.00 0.00 H new ATOM 0 HA LYS A 19 0.171 1.198 -10.193 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.566 -0.011 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.939 1.631 -7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.931 -0.871 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.861 0.069 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.539 2.089 -9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.801 1.022 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.870 -0.327 -11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.611 0.670 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.319 1.336 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.431 2.588 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.713 1.622 -12.491 1.00 0.00 H new ATOM 244 N PRO A 20 1.836 2.537 -8.874 1.00 0.00 N ATOM 245 CA PRO A 20 2.955 3.282 -8.288 1.00 0.00 C ATOM 246 C PRO A 20 2.782 3.502 -6.789 1.00 0.00 C ATOM 247 O PRO A 20 3.756 3.507 -6.037 1.00 0.00 O ATOM 248 CB PRO A 20 2.919 4.618 -9.033 1.00 0.00 C ATOM 249 CG PRO A 20 1.504 4.770 -9.473 1.00 0.00 C ATOM 250 CD PRO A 20 1.006 3.378 -9.752 1.00 0.00 C ATOM 0 HA PRO A 20 3.899 2.747 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.222 5.440 -8.385 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.600 4.615 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.905 5.252 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.437 5.394 -10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.054 3.277 -9.521 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.131 3.109 -10.801 1.00 0.00 H new ATOM 258 N TRP A 21 1.537 3.683 -6.362 1.00 0.00 N ATOM 259 CA TRP A 21 1.237 3.904 -4.952 1.00 0.00 C ATOM 260 C TRP A 21 1.219 2.585 -4.187 1.00 0.00 C ATOM 261 O TRP A 21 0.794 2.532 -3.032 1.00 0.00 O ATOM 262 CB TRP A 21 -0.109 4.614 -4.801 1.00 0.00 C ATOM 263 CG TRP A 21 -1.169 4.079 -5.715 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.602 4.637 -6.884 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.931 2.881 -5.534 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.587 3.858 -7.441 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.807 2.774 -6.633 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.958 1.886 -4.553 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.698 1.714 -6.774 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.843 0.834 -4.694 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.703 0.754 -5.798 1.00 0.00 C ATOM 0 H TRP A 21 0.719 3.681 -6.972 1.00 0.00 H new ATOM 0 HA TRP A 21 2.021 4.535 -4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.448 4.520 -3.769 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.026 5.678 -4.996 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.225 5.556 -7.308 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.075 4.055 -8.315 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.299 1.938 -3.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.362 1.651 -7.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.873 0.060 -3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.383 -0.081 -5.880 1.00 0.00 H new ATOM 282 N TYR A 22 1.683 1.523 -4.836 1.00 0.00 N ATOM 283 CA TYR A 22 1.717 0.204 -4.216 1.00 0.00 C ATOM 284 C TYR A 22 3.084 -0.072 -3.597 1.00 0.00 C ATOM 285 O TYR A 22 4.120 0.167 -4.218 1.00 0.00 O ATOM 286 CB TYR A 22 1.386 -0.876 -5.248 1.00 0.00 C ATOM 287 CG TYR A 22 1.533 -2.285 -4.718 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.503 -2.894 -4.012 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.703 -3.006 -4.923 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.634 -4.181 -3.526 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.842 -4.294 -4.442 1.00 0.00 C ATOM 292 CZ TYR A 22 1.804 -4.876 -3.744 1.00 0.00 C ATOM 293 OH TYR A 22 1.939 -6.158 -3.262 1.00 0.00 O ATOM 0 H TYR A 22 2.041 1.550 -5.791 1.00 0.00 H new ATOM 0 HA TYR A 22 0.968 0.183 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.363 -0.733 -5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.038 -0.752 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.415 -2.352 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.518 -2.552 -5.468 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.176 -4.640 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.757 -4.842 -4.611 1.00 0.00 H new ATOM 0 HH TYR A 22 2.823 -6.507 -3.502 1.00 0.00 H new ATOM 303 N TYR A 23 3.078 -0.576 -2.368 1.00 0.00 N ATOM 304 CA TYR A 23 4.316 -0.883 -1.662 1.00 0.00 C ATOM 305 C TYR A 23 4.318 -2.326 -1.167 1.00 0.00 C ATOM 306 O TYR A 23 3.298 -2.838 -0.706 1.00 0.00 O ATOM 307 CB TYR A 23 4.506 0.072 -0.482 1.00 0.00 C ATOM 308 CG TYR A 23 4.954 1.457 -0.891 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.245 1.683 -1.352 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.087 2.540 -0.815 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.660 2.947 -1.725 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.492 3.807 -1.187 1.00 0.00 C ATOM 313 CZ TYR A 23 5.780 4.005 -1.642 1.00 0.00 C ATOM 314 OH TYR A 23 6.187 5.266 -2.013 1.00 0.00 O ATOM 0 H TYR A 23 2.230 -0.781 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 23 5.143 -0.756 -2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.567 0.150 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.241 -0.351 0.203 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.936 0.856 -1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.079 2.388 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.668 3.105 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.805 4.638 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 23 6.450 5.772 -1.216 1.00 0.00 H new ATOM 324 N ASP A 24 5.472 -2.977 -1.267 1.00 0.00 N ATOM 325 CA ASP A 24 5.609 -4.361 -0.829 1.00 0.00 C ATOM 326 C ASP A 24 6.671 -4.484 0.260 1.00 0.00 C ATOM 327 O ASP A 24 6.511 -5.247 1.213 1.00 0.00 O ATOM 328 CB ASP A 24 5.970 -5.260 -2.013 1.00 0.00 C ATOM 329 CG ASP A 24 7.457 -5.263 -2.307 1.00 0.00 C ATOM 330 OD1 ASP A 24 8.204 -5.951 -1.580 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.874 -4.575 -3.262 1.00 0.00 O ATOM 0 H ASP A 24 6.326 -2.568 -1.647 1.00 0.00 H new ATOM 0 HA ASP A 24 4.652 -4.682 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.642 -6.278 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.429 -4.925 -2.898 1.00 0.00 H new ATOM 336 N ARG A 25 7.754 -3.728 0.112 1.00 0.00 N ATOM 337 CA ARG A 25 8.842 -3.754 1.081 1.00 0.00 C ATOM 338 C ARG A 25 8.650 -2.675 2.143 1.00 0.00 C ATOM 339 O ARG A 25 8.950 -2.886 3.319 1.00 0.00 O ATOM 340 CB ARG A 25 10.186 -3.557 0.376 1.00 0.00 C ATOM 341 CG ARG A 25 10.305 -2.226 -0.348 1.00 0.00 C ATOM 342 CD ARG A 25 11.375 -2.273 -1.427 1.00 0.00 C ATOM 343 NE ARG A 25 12.707 -2.009 -0.890 1.00 0.00 N ATOM 344 CZ ARG A 25 13.724 -1.577 -1.626 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.563 -1.361 -2.924 1.00 0.00 N ATOM 346 NH2 ARG A 25 14.906 -1.359 -1.064 1.00 0.00 N ATOM 0 H ARG A 25 7.901 -3.090 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 25 8.835 -4.728 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.987 -3.634 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.333 -4.365 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.346 -1.967 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.544 -1.441 0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.365 -3.253 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.144 -1.539 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 25 12.865 -2.165 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.656 -1.527 -3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.346 -1.029 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.034 -1.523 -0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.687 -1.027 -1.630 1.00 0.00 H new ATOM 360 N LEU A 26 8.149 -1.519 1.721 1.00 0.00 N ATOM 361 CA LEU A 26 7.917 -0.406 2.635 1.00 0.00 C ATOM 362 C LEU A 26 7.367 -0.903 3.968 1.00 0.00 C ATOM 363 O LEU A 26 6.651 -1.903 4.022 1.00 0.00 O ATOM 364 CB LEU A 26 6.946 0.598 2.012 1.00 0.00 C ATOM 365 CG LEU A 26 6.895 1.978 2.667 1.00 0.00 C ATOM 366 CD1 LEU A 26 7.983 2.878 2.103 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.524 2.610 2.473 1.00 0.00 C ATOM 0 H LEU A 26 7.896 -1.328 0.752 1.00 0.00 H new ATOM 0 HA LEU A 26 8.872 0.087 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.211 0.726 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.945 0.168 2.038 1.00 0.00 H new ATOM 0 HG LEU A 26 7.070 1.858 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.931 3.856 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.959 2.432 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.840 2.992 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.506 3.592 2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.320 2.716 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.763 1.975 2.927 1.00 0.00 H new ATOM 379 N SER A 27 7.703 -0.195 5.042 1.00 0.00 N ATOM 380 CA SER A 27 7.244 -0.564 6.376 1.00 0.00 C ATOM 381 C SER A 27 6.856 0.673 7.179 1.00 0.00 C ATOM 382 O SER A 27 7.235 1.793 6.835 1.00 0.00 O ATOM 383 CB SER A 27 8.333 -1.345 7.115 1.00 0.00 C ATOM 384 OG SER A 27 7.795 -2.045 8.224 1.00 0.00 O ATOM 0 H SER A 27 8.292 0.638 5.014 1.00 0.00 H new ATOM 0 HA SER A 27 6.363 -1.196 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.807 -2.049 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.109 -0.660 7.455 1.00 0.00 H new ATOM 0 HG SER A 27 8.510 -2.537 8.678 1.00 0.00 H new ATOM 390 N ARG A 28 6.098 0.462 8.250 1.00 0.00 N ATOM 391 CA ARG A 28 5.657 1.560 9.102 1.00 0.00 C ATOM 392 C ARG A 28 6.790 2.554 9.338 1.00 0.00 C ATOM 393 O ARG A 28 6.589 3.766 9.276 1.00 0.00 O ATOM 394 CB ARG A 28 5.149 1.022 10.441 1.00 0.00 C ATOM 395 CG ARG A 28 6.189 0.222 11.210 1.00 0.00 C ATOM 396 CD ARG A 28 5.588 -0.431 12.445 1.00 0.00 C ATOM 397 NE ARG A 28 5.027 -1.747 12.150 1.00 0.00 N ATOM 398 CZ ARG A 28 5.750 -2.861 12.107 1.00 0.00 C ATOM 399 NH1 ARG A 28 7.055 -2.817 12.339 1.00 0.00 N ATOM 400 NH2 ARG A 28 5.168 -4.021 11.832 1.00 0.00 N ATOM 0 H ARG A 28 5.777 -0.459 8.548 1.00 0.00 H new ATOM 0 HA ARG A 28 4.843 2.077 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.818 1.858 11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.277 0.392 10.263 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.613 -0.545 10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.008 0.877 11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.355 -0.528 13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.808 0.213 12.852 1.00 0.00 H new ATOM 0 HE ARG A 28 4.026 -1.814 11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.506 -1.927 12.551 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.608 -3.673 12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.164 -4.058 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.724 -4.875 11.799 1.00 0.00 H new ATOM 414 N GLY A 29 7.982 2.032 9.610 1.00 0.00 N ATOM 415 CA GLY A 29 9.129 2.888 9.852 1.00 0.00 C ATOM 416 C GLY A 29 9.259 3.989 8.819 1.00 0.00 C ATOM 417 O GLY A 29 9.452 5.154 9.166 1.00 0.00 O ATOM 0 H GLY A 29 8.174 1.032 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.044 3.333 10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.036 2.284 9.851 1.00 0.00 H new ATOM 421 N GLU A 30 9.154 3.620 7.546 1.00 0.00 N ATOM 422 CA GLU A 30 9.264 4.587 6.460 1.00 0.00 C ATOM 423 C GLU A 30 7.907 5.211 6.148 1.00 0.00 C ATOM 424 O GLU A 30 7.765 6.433 6.123 1.00 0.00 O ATOM 425 CB GLU A 30 9.829 3.916 5.206 1.00 0.00 C ATOM 426 CG GLU A 30 11.222 3.340 5.399 1.00 0.00 C ATOM 427 CD GLU A 30 11.681 2.513 4.213 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.283 2.838 3.075 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.437 1.542 4.424 1.00 0.00 O ATOM 0 H GLU A 30 8.993 2.660 7.242 1.00 0.00 H new ATOM 0 HA GLU A 30 9.944 5.377 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.155 3.118 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.855 4.644 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.928 4.154 5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.234 2.720 6.296 1.00 0.00 H new ATOM 436 N ALA A 31 6.912 4.363 5.911 1.00 0.00 N ATOM 437 CA ALA A 31 5.566 4.830 5.603 1.00 0.00 C ATOM 438 C ALA A 31 5.225 6.085 6.399 1.00 0.00 C ATOM 439 O ALA A 31 4.983 7.147 5.827 1.00 0.00 O ATOM 440 CB ALA A 31 4.550 3.733 5.881 1.00 0.00 C ATOM 0 H ALA A 31 7.013 3.348 5.926 1.00 0.00 H new ATOM 0 HA ALA A 31 5.529 5.083 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.549 4.096 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.775 2.864 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.597 3.452 6.933 1.00 0.00 H new ATOM 446 N GLU A 32 5.206 5.953 7.722 1.00 0.00 N ATOM 447 CA GLU A 32 4.892 7.078 8.596 1.00 0.00 C ATOM 448 C GLU A 32 5.714 8.307 8.218 1.00 0.00 C ATOM 449 O GLU A 32 5.173 9.398 8.042 1.00 0.00 O ATOM 450 CB GLU A 32 5.154 6.705 10.057 1.00 0.00 C ATOM 451 CG GLU A 32 4.139 5.729 10.627 1.00 0.00 C ATOM 452 CD GLU A 32 4.563 5.165 11.969 1.00 0.00 C ATOM 453 OE1 GLU A 32 4.583 5.930 12.956 1.00 0.00 O ATOM 454 OE2 GLU A 32 4.875 3.957 12.033 1.00 0.00 O ATOM 0 H GLU A 32 5.404 5.080 8.211 1.00 0.00 H new ATOM 0 HA GLU A 32 3.836 7.317 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.150 6.270 10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.152 7.612 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.178 6.232 10.736 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.992 4.910 9.923 1.00 0.00 H new ATOM 461 N ASP A 33 7.023 8.120 8.094 1.00 0.00 N ATOM 462 CA ASP A 33 7.921 9.213 7.737 1.00 0.00 C ATOM 463 C ASP A 33 7.467 9.889 6.447 1.00 0.00 C ATOM 464 O ASP A 33 7.284 11.105 6.403 1.00 0.00 O ATOM 465 CB ASP A 33 9.351 8.695 7.580 1.00 0.00 C ATOM 466 CG ASP A 33 10.381 9.804 7.669 1.00 0.00 C ATOM 467 OD1 ASP A 33 10.687 10.241 8.798 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.881 10.237 6.609 1.00 0.00 O ATOM 0 H ASP A 33 7.486 7.222 8.235 1.00 0.00 H new ATOM 0 HA ASP A 33 7.896 9.949 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.553 7.953 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.448 8.189 6.619 1.00 0.00 H new ATOM 473 N MET A 34 7.288 9.092 5.398 1.00 0.00 N ATOM 474 CA MET A 34 6.856 9.614 4.107 1.00 0.00 C ATOM 475 C MET A 34 5.754 10.655 4.283 1.00 0.00 C ATOM 476 O MET A 34 5.911 11.811 3.889 1.00 0.00 O ATOM 477 CB MET A 34 6.360 8.476 3.213 1.00 0.00 C ATOM 478 CG MET A 34 7.481 7.647 2.606 1.00 0.00 C ATOM 479 SD MET A 34 7.042 6.955 1.000 1.00 0.00 S ATOM 480 CE MET A 34 5.666 5.900 1.452 1.00 0.00 C ATOM 0 H MET A 34 7.435 8.083 5.417 1.00 0.00 H new ATOM 0 HA MET A 34 7.712 10.093 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.711 7.823 3.797 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.753 8.894 2.410 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.370 8.268 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.739 6.837 3.288 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.868 4.880 1.126 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.535 5.916 2.534 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.757 6.261 0.971 1.00 0.00 H new ATOM 490 N LEU A 35 4.641 10.237 4.875 1.00 0.00 N ATOM 491 CA LEU A 35 3.513 11.133 5.103 1.00 0.00 C ATOM 492 C LEU A 35 3.976 12.443 5.734 1.00 0.00 C ATOM 493 O LEU A 35 3.579 13.525 5.303 1.00 0.00 O ATOM 494 CB LEU A 35 2.475 10.460 6.002 1.00 0.00 C ATOM 495 CG LEU A 35 1.474 9.541 5.301 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.616 10.331 4.325 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.200 8.412 4.583 1.00 0.00 C ATOM 0 H LEU A 35 4.495 9.283 5.206 1.00 0.00 H new ATOM 0 HA LEU A 35 3.058 11.357 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.002 9.880 6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.919 11.237 6.526 1.00 0.00 H new ATOM 0 HG LEU A 35 0.820 9.104 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.090 9.660 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.068 11.103 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.254 10.796 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.473 7.767 4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.878 8.830 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.770 7.829 5.306 1.00 0.00 H new ATOM 509 N MET A 36 4.820 12.335 6.755 1.00 0.00 N ATOM 510 CA MET A 36 5.341 13.512 7.442 1.00 0.00 C ATOM 511 C MET A 36 6.016 14.462 6.459 1.00 0.00 C ATOM 512 O MET A 36 5.859 15.679 6.550 1.00 0.00 O ATOM 513 CB MET A 36 6.333 13.095 8.530 1.00 0.00 C ATOM 514 CG MET A 36 5.747 12.134 9.551 1.00 0.00 C ATOM 515 SD MET A 36 6.505 12.301 11.178 1.00 0.00 S ATOM 516 CE MET A 36 5.134 11.851 12.239 1.00 0.00 C ATOM 0 H MET A 36 5.157 11.446 7.125 1.00 0.00 H new ATOM 0 HA MET A 36 4.503 14.033 7.904 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.200 12.629 8.061 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.690 13.987 9.046 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.674 12.309 9.635 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.877 11.111 9.197 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.447 11.906 13.282 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.304 12.538 12.072 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.815 10.834 12.010 1.00 0.00 H new ATOM 526 N ARG A 37 6.768 13.898 5.519 1.00 0.00 N ATOM 527 CA ARG A 37 7.468 14.696 4.519 1.00 0.00 C ATOM 528 C ARG A 37 6.483 15.332 3.543 1.00 0.00 C ATOM 529 O ARG A 37 6.573 16.522 3.243 1.00 0.00 O ATOM 530 CB ARG A 37 8.472 13.829 3.756 1.00 0.00 C ATOM 531 CG ARG A 37 9.503 13.161 4.650 1.00 0.00 C ATOM 532 CD ARG A 37 10.614 12.518 3.834 1.00 0.00 C ATOM 533 NE ARG A 37 11.720 13.441 3.593 1.00 0.00 N ATOM 534 CZ ARG A 37 12.580 13.311 2.589 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.461 12.303 1.736 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.560 14.192 2.435 1.00 0.00 N ATOM 0 H ARG A 37 6.908 12.892 5.429 1.00 0.00 H new ATOM 0 HA ARG A 37 8.004 15.492 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.930 13.061 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.987 14.447 3.020 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.929 13.899 5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.017 12.404 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.985 11.637 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.212 12.177 2.880 1.00 0.00 H new ATOM 0 HE ARG A 37 11.838 14.228 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.708 11.625 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.123 12.206 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.654 14.970 3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.220 14.091 1.664 1.00 0.00 H new ATOM 550 N ILE A 38 5.544 14.530 3.052 1.00 0.00 N ATOM 551 CA ILE A 38 4.542 15.014 2.111 1.00 0.00 C ATOM 552 C ILE A 38 3.897 16.303 2.609 1.00 0.00 C ATOM 553 O ILE A 38 3.083 16.302 3.532 1.00 0.00 O ATOM 554 CB ILE A 38 3.442 13.964 1.869 1.00 0.00 C ATOM 555 CG1 ILE A 38 4.057 12.657 1.363 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.416 14.490 0.877 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.587 12.745 -0.051 1.00 0.00 C ATOM 0 H ILE A 38 5.456 13.542 3.290 1.00 0.00 H new ATOM 0 HA ILE A 38 5.060 15.208 1.172 1.00 0.00 H new ATOM 0 HB ILE A 38 2.937 13.765 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.869 12.366 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.306 11.869 1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.645 13.736 0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.959 15.397 1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.907 14.714 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.008 11.783 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.774 13.006 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.362 13.510 -0.102 1.00 0.00 H new ATOM 569 N PRO A 39 4.268 17.431 1.984 1.00 0.00 N ATOM 570 CA PRO A 39 3.736 18.748 2.346 1.00 0.00 C ATOM 571 C PRO A 39 2.268 18.904 1.966 1.00 0.00 C ATOM 572 O PRO A 39 1.685 19.976 2.133 1.00 0.00 O ATOM 573 CB PRO A 39 4.604 19.715 1.537 1.00 0.00 C ATOM 574 CG PRO A 39 5.080 18.915 0.374 1.00 0.00 C ATOM 575 CD PRO A 39 5.235 17.506 0.876 1.00 0.00 C ATOM 0 HA PRO A 39 3.771 18.921 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.031 20.584 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.439 20.087 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.366 18.960 -0.449 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.027 19.301 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.013 16.775 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.252 17.310 1.216 1.00 0.00 H new ATOM 583 N ARG A 40 1.676 17.829 1.456 1.00 0.00 N ATOM 584 CA ARG A 40 0.275 17.848 1.052 1.00 0.00 C ATOM 585 C ARG A 40 -0.624 17.357 2.183 1.00 0.00 C ATOM 586 O ARG A 40 -0.172 16.656 3.089 1.00 0.00 O ATOM 587 CB ARG A 40 0.069 16.981 -0.191 1.00 0.00 C ATOM 588 CG ARG A 40 0.806 17.490 -1.418 1.00 0.00 C ATOM 589 CD ARG A 40 -0.032 18.493 -2.195 1.00 0.00 C ATOM 590 NE ARG A 40 -0.146 19.770 -1.494 1.00 0.00 N ATOM 591 CZ ARG A 40 0.782 20.719 -1.539 1.00 0.00 C ATOM 592 NH1 ARG A 40 1.887 20.537 -2.249 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.605 21.853 -0.874 1.00 0.00 N ATOM 0 H ARG A 40 2.144 16.934 1.313 1.00 0.00 H new ATOM 0 HA ARG A 40 0.004 18.877 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.400 15.965 0.026 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.997 16.928 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.743 17.956 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.062 16.650 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.415 18.656 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.027 18.081 -2.363 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.985 19.942 -0.939 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.026 19.667 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.598 21.267 -2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.244 21.997 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.318 22.581 -0.909 1.00 0.00 H new ATOM 607 N ASP A 41 -1.897 17.731 2.125 1.00 0.00 N ATOM 608 CA ASP A 41 -2.860 17.329 3.144 1.00 0.00 C ATOM 609 C ASP A 41 -3.910 16.389 2.558 1.00 0.00 C ATOM 610 O ASP A 41 -4.920 16.833 2.015 1.00 0.00 O ATOM 611 CB ASP A 41 -3.538 18.558 3.749 1.00 0.00 C ATOM 612 CG ASP A 41 -3.746 19.664 2.733 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.850 19.350 1.528 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.804 20.843 3.141 1.00 0.00 O ATOM 0 H ASP A 41 -2.287 18.312 1.383 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.321 16.799 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.501 18.268 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.932 18.935 4.573 1.00 0.00 H new ATOM 619 N GLY A 42 -3.662 15.088 2.672 1.00 0.00 N ATOM 620 CA GLY A 42 -4.594 14.107 2.149 1.00 0.00 C ATOM 621 C GLY A 42 -3.902 13.012 1.362 1.00 0.00 C ATOM 622 O GLY A 42 -4.426 12.535 0.355 1.00 0.00 O ATOM 0 H GLY A 42 -2.832 14.696 3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.149 13.662 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.321 14.606 1.509 1.00 0.00 H new ATOM 626 N ALA A 43 -2.720 12.613 1.819 1.00 0.00 N ATOM 627 CA ALA A 43 -1.955 11.567 1.151 1.00 0.00 C ATOM 628 C ALA A 43 -2.323 10.189 1.689 1.00 0.00 C ATOM 629 O ALA A 43 -2.774 10.056 2.827 1.00 0.00 O ATOM 630 CB ALA A 43 -0.463 11.818 1.314 1.00 0.00 C ATOM 0 H ALA A 43 -2.271 12.998 2.650 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.203 11.592 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.096 11.029 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.206 12.782 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.209 11.823 2.374 1.00 0.00 H new ATOM 636 N PHE A 44 -2.129 9.165 0.865 1.00 0.00 N ATOM 637 CA PHE A 44 -2.442 7.796 1.258 1.00 0.00 C ATOM 638 C PHE A 44 -1.506 6.806 0.572 1.00 0.00 C ATOM 639 O PHE A 44 -1.075 7.023 -0.561 1.00 0.00 O ATOM 640 CB PHE A 44 -3.895 7.464 0.913 1.00 0.00 C ATOM 641 CG PHE A 44 -4.103 7.115 -0.533 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.331 8.107 -1.473 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.071 5.795 -0.953 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.524 7.788 -2.804 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.262 5.470 -2.282 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.488 6.468 -3.209 1.00 0.00 C ATOM 0 H PHE A 44 -1.756 9.257 -0.080 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.303 7.713 2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.225 6.629 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.524 8.317 1.167 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.358 9.141 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.895 5.010 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.703 8.570 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.235 4.437 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.636 6.217 -4.249 1.00 0.00 H new ATOM 656 N LEU A 45 -1.194 5.717 1.267 1.00 0.00 N ATOM 657 CA LEU A 45 -0.308 4.692 0.727 1.00 0.00 C ATOM 658 C LEU A 45 -0.758 3.300 1.159 1.00 0.00 C ATOM 659 O LEU A 45 -1.359 3.133 2.221 1.00 0.00 O ATOM 660 CB LEU A 45 1.130 4.940 1.185 1.00 0.00 C ATOM 661 CG LEU A 45 1.375 4.878 2.693 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.611 3.443 3.137 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.554 5.759 3.079 1.00 0.00 C ATOM 0 H LEU A 45 -1.542 5.521 2.206 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.351 4.746 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.775 4.206 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.440 5.922 0.827 1.00 0.00 H new ATOM 0 HG LEU A 45 0.486 5.252 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.784 3.419 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.736 2.839 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.483 3.041 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.713 5.702 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.450 5.416 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.345 6.791 2.797 1.00 0.00 H new ATOM 675 N ILE A 46 -0.463 2.305 0.330 1.00 0.00 N ATOM 676 CA ILE A 46 -0.835 0.927 0.628 1.00 0.00 C ATOM 677 C ILE A 46 0.379 0.006 0.574 1.00 0.00 C ATOM 678 O ILE A 46 0.841 -0.365 -0.505 1.00 0.00 O ATOM 679 CB ILE A 46 -1.904 0.408 -0.351 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.175 1.253 -0.249 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.211 -1.056 -0.073 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.189 0.953 -1.329 1.00 0.00 C ATOM 0 H ILE A 46 0.032 2.427 -0.553 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.247 0.922 1.637 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.516 0.491 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.634 1.087 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.905 2.308 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.968 -1.408 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.303 -1.647 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.582 -1.163 0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.064 1.589 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.747 1.146 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.488 -0.093 -1.267 1.00 0.00 H new ATOM 694 N ARG A 47 0.890 -0.361 1.744 1.00 0.00 N ATOM 695 CA ARG A 47 2.050 -1.240 1.830 1.00 0.00 C ATOM 696 C ARG A 47 1.654 -2.612 2.367 1.00 0.00 C ATOM 697 O ARG A 47 0.792 -2.725 3.239 1.00 0.00 O ATOM 698 CB ARG A 47 3.122 -0.618 2.728 1.00 0.00 C ATOM 699 CG ARG A 47 2.763 -0.634 4.205 1.00 0.00 C ATOM 700 CD ARG A 47 3.949 -0.240 5.071 1.00 0.00 C ATOM 701 NE ARG A 47 3.758 -0.622 6.467 1.00 0.00 N ATOM 702 CZ ARG A 47 3.834 -1.874 6.904 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.096 -2.860 6.057 1.00 0.00 N ATOM 704 NH2 ARG A 47 3.648 -2.142 8.190 1.00 0.00 N ATOM 0 H ARG A 47 0.519 -0.063 2.646 1.00 0.00 H new ATOM 0 HA ARG A 47 2.455 -1.366 0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.060 -1.154 2.585 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.293 0.412 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.935 0.051 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.420 -1.630 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.852 -0.713 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.102 0.837 5.008 1.00 0.00 H new ATOM 0 HE ARG A 47 3.555 0.113 7.144 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.240 -2.658 5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.154 -3.821 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.446 -1.386 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.707 -3.104 8.524 1.00 0.00 H new ATOM 718 N LYS A 48 2.289 -3.653 1.841 1.00 0.00 N ATOM 719 CA LYS A 48 2.005 -5.019 2.266 1.00 0.00 C ATOM 720 C LYS A 48 2.989 -5.469 3.341 1.00 0.00 C ATOM 721 O LYS A 48 4.197 -5.269 3.213 1.00 0.00 O ATOM 722 CB LYS A 48 2.068 -5.971 1.070 1.00 0.00 C ATOM 723 CG LYS A 48 1.645 -7.392 1.402 1.00 0.00 C ATOM 724 CD LYS A 48 1.465 -8.227 0.145 1.00 0.00 C ATOM 725 CE LYS A 48 2.804 -8.651 -0.439 1.00 0.00 C ATOM 726 NZ LYS A 48 2.641 -9.376 -1.730 1.00 0.00 N ATOM 0 H LYS A 48 3.005 -3.577 1.118 1.00 0.00 H new ATOM 0 HA LYS A 48 1.000 -5.041 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.428 -5.586 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.086 -5.985 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.394 -7.855 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.711 -7.373 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.871 -9.111 0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.908 -7.654 -0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.428 -7.771 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.325 -9.291 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.576 -9.648 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.067 -10.230 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.167 -8.757 -2.418 1.00 0.00 H new ATOM 740 N ARG A 49 2.465 -6.080 4.399 1.00 0.00 N ATOM 741 CA ARG A 49 3.298 -6.559 5.495 1.00 0.00 C ATOM 742 C ARG A 49 3.838 -7.955 5.198 1.00 0.00 C ATOM 743 O ARG A 49 3.085 -8.927 5.164 1.00 0.00 O ATOM 744 CB ARG A 49 2.499 -6.576 6.800 1.00 0.00 C ATOM 745 CG ARG A 49 2.084 -5.195 7.279 1.00 0.00 C ATOM 746 CD ARG A 49 0.789 -5.247 8.075 1.00 0.00 C ATOM 747 NE ARG A 49 1.023 -5.570 9.480 1.00 0.00 N ATOM 748 CZ ARG A 49 1.303 -4.659 10.406 1.00 0.00 C ATOM 749 NH1 ARG A 49 1.382 -3.377 10.078 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.503 -5.031 11.664 1.00 0.00 N ATOM 0 H ARG A 49 1.467 -6.255 4.520 1.00 0.00 H new ATOM 0 HA ARG A 49 4.142 -5.878 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.607 -7.186 6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.096 -7.056 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.875 -4.770 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.959 -4.534 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.281 -4.285 8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.124 -5.992 7.638 1.00 0.00 H new ATOM 0 HE ARG A 49 0.969 -6.548 9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.228 -3.087 9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.597 -2.680 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.442 -6.016 11.920 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.718 -4.332 12.375 1.00 0.00 H new ATOM 812 N SER A 54 -2.229 -9.396 5.900 1.00 0.00 N ATOM 813 CA SER A 54 -3.051 -8.221 6.163 1.00 0.00 C ATOM 814 C SER A 54 -2.337 -6.948 5.720 1.00 0.00 C ATOM 815 O SER A 54 -1.163 -6.742 6.029 1.00 0.00 O ATOM 816 CB SER A 54 -3.394 -8.136 7.652 1.00 0.00 C ATOM 817 OG SER A 54 -2.227 -7.943 8.433 1.00 0.00 O ATOM 0 HA SER A 54 -3.973 -8.317 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.089 -7.314 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.898 -9.050 7.965 1.00 0.00 H new ATOM 0 HG SER A 54 -1.463 -8.366 7.989 1.00 0.00 H new ATOM 823 N TYR A 55 -3.054 -6.098 4.994 1.00 0.00 N ATOM 824 CA TYR A 55 -2.490 -4.845 4.505 1.00 0.00 C ATOM 825 C TYR A 55 -2.869 -3.684 5.418 1.00 0.00 C ATOM 826 O TYR A 55 -3.789 -3.791 6.228 1.00 0.00 O ATOM 827 CB TYR A 55 -2.971 -4.566 3.080 1.00 0.00 C ATOM 828 CG TYR A 55 -2.619 -5.660 2.097 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.268 -6.888 2.132 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.638 -5.465 1.132 1.00 0.00 C ATOM 831 CE1 TYR A 55 -2.949 -7.890 1.236 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.314 -6.461 0.231 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.972 -7.672 0.288 1.00 0.00 C ATOM 834 OH TYR A 55 -1.652 -8.667 -0.607 1.00 0.00 O ATOM 0 H TYR A 55 -4.027 -6.253 4.731 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.404 -4.942 4.502 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.053 -4.433 3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.537 -3.627 2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.035 -7.062 2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.120 -4.518 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.462 -8.839 1.278 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.550 -6.292 -0.514 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.132 -8.287 -1.346 1.00 0.00 H new ATOM 844 N ALA A 56 -2.151 -2.573 5.281 1.00 0.00 N ATOM 845 CA ALA A 56 -2.413 -1.390 6.091 1.00 0.00 C ATOM 846 C ALA A 56 -2.237 -0.115 5.273 1.00 0.00 C ATOM 847 O ALA A 56 -1.173 0.125 4.701 1.00 0.00 O ATOM 848 CB ALA A 56 -1.498 -1.370 7.307 1.00 0.00 C ATOM 0 H ALA A 56 -1.384 -2.468 4.617 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.448 -1.433 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.704 -0.481 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.675 -2.261 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.458 -1.354 6.980 1.00 0.00 H new ATOM 854 N ILE A 57 -3.286 0.698 5.221 1.00 0.00 N ATOM 855 CA ILE A 57 -3.247 1.949 4.473 1.00 0.00 C ATOM 856 C ILE A 57 -2.985 3.134 5.396 1.00 0.00 C ATOM 857 O ILE A 57 -3.748 3.389 6.329 1.00 0.00 O ATOM 858 CB ILE A 57 -4.561 2.189 3.707 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.440 3.427 2.817 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.721 2.342 4.681 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.627 3.634 1.903 1.00 0.00 C ATOM 0 H ILE A 57 -4.174 0.513 5.688 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.430 1.862 3.757 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.756 1.326 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.320 4.308 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.537 3.343 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.643 2.511 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.818 1.434 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.534 3.190 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.472 4.530 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.735 2.771 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.531 3.751 2.501 1.00 0.00 H new ATOM 873 N THR A 58 -1.902 3.857 5.130 1.00 0.00 N ATOM 874 CA THR A 58 -1.539 5.016 5.936 1.00 0.00 C ATOM 875 C THR A 58 -1.860 6.315 5.206 1.00 0.00 C ATOM 876 O THR A 58 -1.701 6.410 3.989 1.00 0.00 O ATOM 877 CB THR A 58 -0.043 5.001 6.301 1.00 0.00 C ATOM 878 OG1 THR A 58 0.323 3.716 6.817 1.00 0.00 O ATOM 879 CG2 THR A 58 0.274 6.075 7.330 1.00 0.00 C ATOM 0 H THR A 58 -1.260 3.660 4.362 1.00 0.00 H new ATOM 0 HA THR A 58 -2.128 4.961 6.851 1.00 0.00 H new ATOM 0 HB THR A 58 0.531 5.206 5.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.276 3.715 7.045 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.336 6.045 7.572 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.022 7.054 6.923 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.309 5.897 8.233 1.00 0.00 H new ATOM 887 N PHE A 59 -2.311 7.314 5.957 1.00 0.00 N ATOM 888 CA PHE A 59 -2.654 8.609 5.381 1.00 0.00 C ATOM 889 C PHE A 59 -2.206 9.747 6.294 1.00 0.00 C ATOM 890 O PHE A 59 -1.789 9.518 7.429 1.00 0.00 O ATOM 891 CB PHE A 59 -4.162 8.699 5.137 1.00 0.00 C ATOM 892 CG PHE A 59 -4.975 7.885 6.103 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.058 6.508 5.970 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.656 8.497 7.143 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.806 5.757 6.857 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.406 7.751 8.033 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.480 6.379 7.890 1.00 0.00 C ATOM 0 H PHE A 59 -2.448 7.252 6.966 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.132 8.704 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.471 9.742 5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.378 8.366 4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.533 6.016 5.165 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.600 9.569 7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.864 4.685 6.743 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.933 8.240 8.839 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.064 5.794 8.585 1.00 0.00 H new ATOM 907 N ARG A 60 -2.296 10.973 5.789 1.00 0.00 N ATOM 908 CA ARG A 60 -1.899 12.146 6.557 1.00 0.00 C ATOM 909 C ARG A 60 -3.121 12.886 7.092 1.00 0.00 C ATOM 910 O ARG A 60 -4.081 13.130 6.361 1.00 0.00 O ATOM 911 CB ARG A 60 -1.058 13.088 5.693 1.00 0.00 C ATOM 912 CG ARG A 60 -0.225 14.072 6.497 1.00 0.00 C ATOM 913 CD ARG A 60 0.774 14.807 5.616 1.00 0.00 C ATOM 914 NE ARG A 60 1.769 15.530 6.403 1.00 0.00 N ATOM 915 CZ ARG A 60 1.534 16.697 6.992 1.00 0.00 C ATOM 916 NH1 ARG A 60 0.343 17.269 6.884 1.00 0.00 N ATOM 917 NH2 ARG A 60 2.491 17.293 7.691 1.00 0.00 N ATOM 0 H ARG A 60 -2.640 11.179 4.851 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.301 11.808 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.396 12.495 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.719 13.643 5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.881 14.793 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.306 13.541 7.286 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.277 14.093 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.243 15.507 4.972 1.00 0.00 H new ATOM 0 HE ARG A 60 2.696 15.116 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.395 16.813 6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.165 18.165 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.408 16.855 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.310 18.189 8.143 1.00 0.00 H new ATOM 931 N ALA A 61 -3.080 13.239 8.373 1.00 0.00 N ATOM 932 CA ALA A 61 -4.183 13.951 9.005 1.00 0.00 C ATOM 933 C ALA A 61 -3.681 15.163 9.782 1.00 0.00 C ATOM 934 O ALA A 61 -3.033 15.022 10.819 1.00 0.00 O ATOM 935 CB ALA A 61 -4.957 13.017 9.923 1.00 0.00 C ATOM 0 H ALA A 61 -2.294 13.043 8.993 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.850 14.307 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.778 13.562 10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.357 12.185 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.292 12.633 10.696 1.00 0.00 H new ATOM 941 N ARG A 62 -3.982 16.353 9.273 1.00 0.00 N ATOM 942 CA ARG A 62 -3.559 17.590 9.919 1.00 0.00 C ATOM 943 C ARG A 62 -2.141 17.460 10.466 1.00 0.00 C ATOM 944 O ARG A 62 -1.848 17.910 11.573 1.00 0.00 O ATOM 945 CB ARG A 62 -4.523 17.955 11.049 1.00 0.00 C ATOM 946 CG ARG A 62 -4.651 19.452 11.280 1.00 0.00 C ATOM 947 CD ARG A 62 -5.519 20.107 10.217 1.00 0.00 C ATOM 948 NE ARG A 62 -6.927 20.139 10.603 1.00 0.00 N ATOM 949 CZ ARG A 62 -7.457 21.083 11.373 1.00 0.00 C ATOM 950 NH1 ARG A 62 -6.699 22.067 11.836 1.00 0.00 N ATOM 951 NH2 ARG A 62 -8.747 21.043 11.680 1.00 0.00 N ATOM 0 H ARG A 62 -4.517 16.487 8.415 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.570 18.383 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.507 17.545 10.822 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.185 17.481 11.971 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.081 19.634 12.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.661 19.908 11.275 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.169 21.124 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.413 19.564 9.278 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.537 19.396 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.707 22.100 11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.108 22.791 12.427 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.333 20.287 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.153 21.768 12.271 1.00 0.00 H new ATOM 965 N GLY A 63 -1.264 16.840 9.682 1.00 0.00 N ATOM 966 CA GLY A 63 0.112 16.660 10.106 1.00 0.00 C ATOM 967 C GLY A 63 0.373 15.274 10.661 1.00 0.00 C ATOM 968 O GLY A 63 1.378 14.644 10.333 1.00 0.00 O ATOM 0 H GLY A 63 -1.482 16.459 8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.776 16.840 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.355 17.403 10.865 1.00 0.00 H new ATOM 972 N LYS A 64 -0.535 14.797 11.505 1.00 0.00 N ATOM 973 CA LYS A 64 -0.400 13.476 12.108 1.00 0.00 C ATOM 974 C LYS A 64 -0.526 12.381 11.054 1.00 0.00 C ATOM 975 O LYS A 64 -0.828 12.655 9.892 1.00 0.00 O ATOM 976 CB LYS A 64 -1.460 13.277 13.194 1.00 0.00 C ATOM 977 CG LYS A 64 -1.237 14.136 14.427 1.00 0.00 C ATOM 978 CD LYS A 64 -2.493 14.230 15.276 1.00 0.00 C ATOM 979 CE LYS A 64 -2.295 15.159 16.464 1.00 0.00 C ATOM 980 NZ LYS A 64 -3.281 14.891 17.548 1.00 0.00 N ATOM 0 H LYS A 64 -1.373 15.306 11.787 1.00 0.00 H new ATOM 0 HA LYS A 64 0.590 13.410 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.442 13.502 12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.472 12.228 13.490 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.425 13.717 15.022 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.926 15.136 14.124 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.320 14.591 14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.768 13.237 15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.284 15.039 16.854 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.389 16.194 16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.113 15.544 18.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.245 15.030 17.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.175 13.911 17.880 1.00 0.00 H new ATOM 994 N VAL A 65 -0.293 11.139 11.466 1.00 0.00 N ATOM 995 CA VAL A 65 -0.383 10.002 10.558 1.00 0.00 C ATOM 996 C VAL A 65 -1.143 8.846 11.197 1.00 0.00 C ATOM 997 O VAL A 65 -0.748 8.331 12.243 1.00 0.00 O ATOM 998 CB VAL A 65 1.014 9.511 10.133 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.903 8.257 9.279 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.760 10.608 9.389 1.00 0.00 C ATOM 0 H VAL A 65 -0.040 10.895 12.424 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.924 10.344 9.676 1.00 0.00 H new ATOM 0 HB VAL A 65 1.581 9.261 11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.900 7.925 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.411 7.470 9.850 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.319 8.476 8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.745 10.244 9.096 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.198 10.891 8.499 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.872 11.476 10.038 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.238 8.441 10.562 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.055 7.344 11.067 1.00 0.00 C ATOM 1012 C LYS A 66 -2.872 6.093 10.214 1.00 0.00 C ATOM 1013 O LYS A 66 -2.184 6.120 9.193 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.531 7.748 11.089 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.923 8.551 12.318 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.318 7.646 13.472 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.899 8.442 14.631 1.00 0.00 C ATOM 1018 NZ LYS A 66 -6.713 7.588 15.538 1.00 0.00 N ATOM 0 H LYS A 66 -2.580 8.857 9.696 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.731 7.120 12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.752 8.334 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.146 6.849 11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.090 9.185 12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.754 9.212 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.050 6.915 13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.446 7.088 13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.089 8.903 15.196 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.517 9.251 14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.091 8.168 16.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.501 7.168 15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.117 6.831 15.930 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.494 4.997 10.638 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.401 3.736 9.911 1.00 0.00 C ATOM 1034 C HIS A 67 -4.700 2.944 10.029 1.00 0.00 C ATOM 1035 O HIS A 67 -5.368 2.980 11.064 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.233 2.903 10.439 1.00 0.00 C ATOM 1037 CG HIS A 67 -0.952 3.672 10.551 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.653 4.797 11.241 1.00 0.00 N flip ATOM 1039 CD2 HIS A 67 0.207 3.301 9.903 1.00 0.00 C flip ATOM 1040 CE1 HIS A 67 0.668 5.083 11.000 1.00 0.00 C flip ATOM 1041 NE2 HIS A 67 1.165 4.165 10.191 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.067 4.957 11.481 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.229 3.964 8.859 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.495 2.505 11.419 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.078 2.049 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.315 2.439 9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.212 5.923 11.406 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.125 4.129 9.847 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.052 2.231 8.965 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.272 1.432 8.950 1.00 0.00 C ATOM 1052 C CYS A 68 -5.966 -0.020 8.594 1.00 0.00 C ATOM 1053 O CYS A 68 -5.427 -0.307 7.525 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.275 2.014 7.952 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.005 1.724 8.391 1.00 0.00 S ATOM 0 H CYS A 68 -4.510 2.190 8.102 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.707 1.459 9.949 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.107 3.088 7.869 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.084 1.585 6.969 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.776 2.255 7.489 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.313 -0.930 9.498 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.073 -2.352 9.281 1.00 0.00 C ATOM 1063 C ARG A 69 -6.913 -2.874 8.119 1.00 0.00 C ATOM 1064 O ARG A 69 -8.094 -2.548 7.999 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.391 -3.144 10.550 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.824 -4.554 10.546 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.361 -4.568 10.959 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.201 -4.725 12.402 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.369 -5.879 13.039 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.700 -6.971 12.363 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.205 -5.943 14.354 1.00 0.00 N ATOM 0 H ARG A 69 -6.761 -0.708 10.387 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.020 -2.483 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.997 -2.606 11.412 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.473 -3.197 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.401 -5.181 11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.926 -4.985 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.848 -5.382 10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.886 -3.640 10.640 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.946 -3.904 12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.826 -6.926 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.828 -7.856 12.854 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.950 -5.106 14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.334 -6.830 14.842 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.295 -3.684 7.266 1.00 0.00 N ATOM 1086 CA ILE A 70 -6.986 -4.251 6.115 1.00 0.00 C ATOM 1087 C ILE A 70 -7.025 -5.774 6.192 1.00 0.00 C ATOM 1088 O ILE A 70 -6.002 -6.420 6.413 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.315 -3.833 4.793 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.134 -2.314 4.746 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.138 -4.310 3.607 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.093 -1.860 3.747 1.00 0.00 C ATOM 0 H ILE A 70 -5.317 -3.962 7.350 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.004 -3.862 6.136 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.331 -4.300 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.089 -1.850 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.853 -1.959 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.651 -4.007 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.221 -5.397 3.635 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.134 -3.869 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.018 -0.773 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.127 -2.295 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.382 -2.184 2.747 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.213 -6.340 6.006 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.386 -7.787 6.053 1.00 0.00 C ATOM 1106 C ASN A 71 -8.995 -8.305 4.754 1.00 0.00 C ATOM 1107 O ASN A 71 -9.402 -7.525 3.893 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.274 -8.177 7.237 1.00 0.00 C ATOM 1109 CG ASN A 71 -10.605 -7.452 7.224 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -10.666 -6.246 6.984 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -11.681 -8.186 7.483 1.00 0.00 N ATOM 0 H ASN A 71 -9.070 -5.819 5.821 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.403 -8.241 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.449 -9.253 7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.752 -7.956 8.168 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.605 -7.753 7.488 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.584 -9.183 7.677 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.055 -9.626 4.620 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.613 -10.248 3.426 1.00 0.00 C ATOM 1120 C ARG A 72 -10.707 -11.246 3.794 1.00 0.00 C ATOM 1121 O ARG A 72 -10.707 -11.807 4.890 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.513 -10.952 2.629 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.855 -10.065 1.585 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.420 -10.490 1.318 1.00 0.00 C ATOM 1125 NE ARG A 72 -6.346 -11.609 0.382 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.282 -11.870 -0.369 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.208 -11.096 -0.295 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -5.291 -12.908 -1.196 1.00 0.00 N ATOM 0 H ARG A 72 -8.724 -10.286 5.324 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.052 -9.463 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.751 -11.313 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.937 -11.827 2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.427 -10.107 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.872 -9.029 1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.860 -9.645 0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.944 -10.771 2.258 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.156 -12.224 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.197 -10.298 0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.392 -11.299 -0.873 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.115 -13.506 -1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.474 -13.108 -1.772 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.638 -11.463 2.871 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.737 -12.394 3.098 1.00 0.00 C ATOM 1144 C ASP A 73 -12.843 -13.399 1.955 1.00 0.00 C ATOM 1145 O ASP A 73 -13.939 -13.722 1.499 1.00 0.00 O ATOM 1146 CB ASP A 73 -14.055 -11.633 3.249 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.204 -12.538 3.650 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -15.332 -12.835 4.856 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -15.975 -12.948 2.757 1.00 0.00 O ATOM 0 H ASP A 73 -11.653 -11.007 1.959 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.534 -12.940 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.935 -10.850 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.296 -11.140 2.307 1.00 0.00 H new ATOM 1154 N GLY A 74 -11.696 -13.889 1.496 1.00 0.00 N ATOM 1155 CA GLY A 74 -11.682 -14.851 0.409 1.00 0.00 C ATOM 1156 C GLY A 74 -10.927 -14.344 -0.803 1.00 0.00 C ATOM 1157 O GLY A 74 -9.725 -14.575 -0.936 1.00 0.00 O ATOM 0 H GLY A 74 -10.776 -13.637 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.227 -15.779 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.707 -15.086 0.123 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.633 -13.653 -1.692 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.022 -13.115 -2.902 1.00 0.00 C ATOM 1163 C ARG A 75 -11.338 -11.630 -3.056 1.00 0.00 C ATOM 1164 O ARG A 75 -11.568 -11.145 -4.165 1.00 0.00 O ATOM 1165 CB ARG A 75 -11.513 -13.882 -4.131 1.00 0.00 C ATOM 1166 CG ARG A 75 -12.948 -13.562 -4.515 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.559 -14.670 -5.359 1.00 0.00 C ATOM 1168 NE ARG A 75 -13.338 -14.456 -6.787 1.00 0.00 N ATOM 1169 CZ ARG A 75 -13.745 -15.300 -7.728 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -14.392 -16.408 -7.395 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -13.506 -15.036 -9.006 1.00 0.00 N ATOM 0 H ARG A 75 -12.629 -13.452 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.942 -13.232 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.861 -13.656 -4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.427 -14.952 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.544 -13.419 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.977 -12.623 -5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.130 -15.628 -5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.630 -14.727 -5.162 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.844 -13.612 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.579 -16.614 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.703 -17.054 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.009 -14.184 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.819 -15.685 -9.728 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.348 -10.913 -1.937 1.00 0.00 N ATOM 1186 CA HIS A 76 -11.635 -9.483 -1.948 1.00 0.00 C ATOM 1187 C HIS A 76 -10.909 -8.774 -0.808 1.00 0.00 C ATOM 1188 O HIS A 76 -10.425 -9.414 0.126 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.141 -9.243 -1.835 1.00 0.00 C ATOM 1190 CG HIS A 76 -13.953 -10.089 -2.767 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -14.000 -10.123 -4.119 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -14.851 -11.040 -2.330 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -14.916 -11.084 -4.471 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -15.415 -11.623 -3.373 1.00 0.00 N flip ATOM 0 H HIS A 76 -11.161 -11.299 -1.011 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.279 -9.073 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.456 -9.440 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.349 -8.192 -2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -15.061 -11.272 -1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.185 -11.355 -5.481 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -16.116 -12.363 -3.337 1.00 0.00 H new ATOM 1203 N PHE A 77 -10.835 -7.450 -0.893 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.166 -6.655 0.130 1.00 0.00 C ATOM 1205 C PHE A 77 -11.183 -5.990 1.054 1.00 0.00 C ATOM 1206 O PHE A 77 -11.944 -5.119 0.632 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.279 -5.591 -0.520 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.088 -6.160 -1.237 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.119 -6.868 -0.545 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.939 -5.989 -2.604 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.022 -7.392 -1.202 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.844 -6.511 -3.267 1.00 0.00 C ATOM 1213 CZ PHE A 77 -5.885 -7.214 -2.565 1.00 0.00 C ATOM 0 H PHE A 77 -11.230 -6.905 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.544 -7.324 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.876 -5.013 -1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -8.934 -4.898 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.222 -7.012 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.687 -5.441 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.273 -7.940 -0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.739 -6.369 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.029 -7.624 -3.081 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.190 -6.408 2.315 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.112 -5.854 3.299 1.00 0.00 C ATOM 1225 C VAL A 78 -11.504 -4.645 4.003 1.00 0.00 C ATOM 1226 O VAL A 78 -10.671 -4.789 4.899 1.00 0.00 O ATOM 1227 CB VAL A 78 -12.504 -6.904 4.355 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -13.347 -6.271 5.451 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.245 -8.062 3.703 1.00 0.00 C ATOM 0 H VAL A 78 -10.567 -7.129 2.680 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.005 -5.544 2.756 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.594 -7.294 4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.614 -7.029 6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.778 -5.478 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.254 -5.852 5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.515 -8.795 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.149 -7.690 3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.603 -8.531 2.958 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.926 -3.455 3.592 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.424 -2.219 4.183 1.00 0.00 C ATOM 1241 C LEU A 79 -12.323 -1.757 5.325 1.00 0.00 C ATOM 1242 O LEU A 79 -13.500 -1.463 5.122 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.328 -1.124 3.119 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.347 0.012 3.412 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.847 0.863 4.570 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -8.963 -0.542 3.714 1.00 0.00 C ATOM 0 H LEU A 79 -12.615 -3.319 2.852 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.430 -2.415 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.045 -1.587 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.320 -0.694 2.978 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.278 0.644 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.136 1.666 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.817 1.290 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.946 0.243 5.461 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.279 0.281 3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.015 -1.197 4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.602 -1.108 2.855 1.00 0.00 H new ATOM 1258 N GLY A 80 -11.759 -1.694 6.527 1.00 0.00 N ATOM 1259 CA GLY A 80 -12.523 -1.265 7.684 1.00 0.00 C ATOM 1260 C GLY A 80 -13.494 -2.325 8.163 1.00 0.00 C ATOM 1261 O GLY A 80 -13.090 -3.322 8.765 1.00 0.00 O ATOM 0 H GLY A 80 -10.786 -1.932 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.839 -1.011 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.074 -0.358 7.436 1.00 0.00 H new ATOM 1265 N THR A 81 -14.779 -2.112 7.899 1.00 0.00 N ATOM 1266 CA THR A 81 -15.811 -3.056 8.310 1.00 0.00 C ATOM 1267 C THR A 81 -16.625 -3.535 7.114 1.00 0.00 C ATOM 1268 O THR A 81 -16.733 -4.736 6.865 1.00 0.00 O ATOM 1269 CB THR A 81 -16.762 -2.431 9.348 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.493 -1.352 8.755 1.00 0.00 O ATOM 1271 CG2 THR A 81 -15.989 -1.924 10.555 1.00 0.00 C ATOM 0 H THR A 81 -15.130 -1.293 7.402 1.00 0.00 H new ATOM 0 HA THR A 81 -15.301 -3.906 8.762 1.00 0.00 H new ATOM 0 HB THR A 81 -17.458 -3.201 9.681 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.097 -0.961 9.421 1.00 0.00 H new ATOM 0 HG21 THR A 81 -16.682 -1.487 11.274 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.458 -2.754 11.021 1.00 0.00 H new ATOM 0 HG23 THR A 81 -15.272 -1.167 10.236 1.00 0.00 H new ATOM 1279 N SER A 82 -17.197 -2.589 6.376 1.00 0.00 N ATOM 1280 CA SER A 82 -18.005 -2.916 5.207 1.00 0.00 C ATOM 1281 C SER A 82 -17.441 -2.252 3.954 1.00 0.00 C ATOM 1282 O SER A 82 -17.823 -1.136 3.604 1.00 0.00 O ATOM 1283 CB SER A 82 -19.454 -2.475 5.423 1.00 0.00 C ATOM 1284 OG SER A 82 -20.242 -2.731 4.273 1.00 0.00 O ATOM 0 H SER A 82 -17.116 -1.590 6.567 1.00 0.00 H new ATOM 0 HA SER A 82 -17.978 -3.997 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.874 -3.002 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 82 -19.482 -1.411 5.658 1.00 0.00 H new ATOM 0 HG SER A 82 -21.164 -2.442 4.437 1.00 0.00 H new ATOM 1290 N ALA A 83 -16.529 -2.948 3.283 1.00 0.00 N ATOM 1291 CA ALA A 83 -15.913 -2.429 2.068 1.00 0.00 C ATOM 1292 C ALA A 83 -15.315 -3.555 1.231 1.00 0.00 C ATOM 1293 O ALA A 83 -14.263 -4.100 1.567 1.00 0.00 O ATOM 1294 CB ALA A 83 -14.846 -1.402 2.415 1.00 0.00 C ATOM 0 H ALA A 83 -16.200 -3.873 3.560 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.689 -1.944 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.394 -1.023 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.300 -0.577 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.078 -1.869 3.032 1.00 0.00 H new ATOM 1300 N TYR A 84 -15.992 -3.899 0.141 1.00 0.00 N ATOM 1301 CA TYR A 84 -15.528 -4.962 -0.742 1.00 0.00 C ATOM 1302 C TYR A 84 -15.037 -4.393 -2.070 1.00 0.00 C ATOM 1303 O TYR A 84 -15.568 -3.400 -2.567 1.00 0.00 O ATOM 1304 CB TYR A 84 -16.650 -5.972 -0.992 1.00 0.00 C ATOM 1305 CG TYR A 84 -16.744 -7.047 0.067 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -16.747 -6.722 1.418 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.829 -8.389 -0.284 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -16.832 -7.701 2.388 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -16.916 -9.375 0.680 1.00 0.00 C ATOM 1310 CZ TYR A 84 -16.916 -9.026 2.015 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.002 -10.004 2.979 1.00 0.00 O ATOM 0 H TYR A 84 -16.863 -3.457 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.695 -5.467 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -17.600 -5.441 -1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.494 -6.443 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -16.682 -5.686 1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.827 -8.666 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -16.833 -7.430 3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.984 -10.413 0.390 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.007 -10.886 2.551 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.019 -5.030 -2.638 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.454 -4.588 -3.908 1.00 0.00 C ATOM 1323 C PHE A 85 -12.609 -5.690 -4.541 1.00 0.00 C ATOM 1324 O PHE A 85 -11.644 -6.166 -3.943 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.604 -3.332 -3.703 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.394 -2.144 -3.233 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.051 -1.329 -4.142 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.480 -1.842 -1.884 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.778 -0.235 -3.712 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.205 -0.749 -1.448 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.856 0.055 -2.364 1.00 0.00 C ATOM 0 H PHE A 85 -13.568 -5.854 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.278 -4.355 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.820 -3.548 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.109 -3.081 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.994 -1.551 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -12.974 -2.468 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.285 0.393 -4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.263 -0.524 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.425 0.909 -2.026 1.00 0.00 H new ATOM 1341 N GLU A 86 -12.980 -6.090 -5.753 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.257 -7.137 -6.465 1.00 0.00 C ATOM 1343 C GLU A 86 -10.750 -6.916 -6.373 1.00 0.00 C ATOM 1344 O GLU A 86 -9.984 -7.862 -6.188 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.689 -7.177 -7.933 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.530 -8.544 -8.576 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.164 -8.738 -9.205 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -10.898 -8.108 -10.251 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -10.362 -9.519 -8.653 1.00 0.00 O ATOM 0 H GLU A 86 -13.776 -5.705 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.496 -8.092 -5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.732 -6.870 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.104 -6.450 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.692 -9.316 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.298 -8.674 -9.338 1.00 0.00 H new ATOM 1356 N SER A 87 -10.332 -5.661 -6.505 1.00 0.00 N ATOM 1357 CA SER A 87 -8.917 -5.316 -6.441 1.00 0.00 C ATOM 1358 C SER A 87 -8.719 -3.956 -5.778 1.00 0.00 C ATOM 1359 O SER A 87 -9.559 -3.064 -5.902 1.00 0.00 O ATOM 1360 CB SER A 87 -8.309 -5.306 -7.845 1.00 0.00 C ATOM 1361 OG SER A 87 -9.081 -4.513 -8.729 1.00 0.00 O ATOM 0 H SER A 87 -10.953 -4.866 -6.657 1.00 0.00 H new ATOM 0 HA SER A 87 -8.411 -6.071 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.290 -4.920 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.248 -6.326 -8.225 1.00 0.00 H new ATOM 0 HG SER A 87 -8.671 -4.521 -9.619 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.602 -3.805 -5.075 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.291 -2.554 -4.392 1.00 0.00 C ATOM 1369 C LEU A 88 -7.596 -1.356 -5.285 1.00 0.00 C ATOM 1370 O LEU A 88 -8.069 -0.322 -4.814 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.820 -2.531 -3.973 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.459 -3.365 -2.744 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -3.950 -3.435 -2.570 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.115 -2.790 -1.497 1.00 0.00 C ATOM 0 H LEU A 88 -6.897 -4.533 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.917 -2.489 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.218 -2.879 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.533 -1.497 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.834 -4.377 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.713 -4.033 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.503 -3.894 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.551 -2.428 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.847 -3.397 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.771 -1.767 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.198 -2.794 -1.621 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.324 -1.503 -6.578 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.573 -0.435 -7.538 1.00 0.00 C ATOM 1388 C VAL A 89 -8.955 0.175 -7.337 1.00 0.00 C ATOM 1389 O VAL A 89 -9.082 1.347 -6.987 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.453 -0.943 -8.987 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.760 0.174 -9.973 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.068 -1.520 -9.237 1.00 0.00 C ATOM 0 H VAL A 89 -6.931 -2.352 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.814 0.328 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.185 -1.737 -9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.670 -0.205 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.775 0.536 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.055 0.992 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.002 -1.874 -10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.317 -0.748 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.892 -2.352 -8.555 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.989 -0.631 -7.561 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.364 -0.170 -7.404 1.00 0.00 C ATOM 1404 C GLU A 90 -11.575 0.454 -6.027 1.00 0.00 C ATOM 1405 O GLU A 90 -12.193 1.512 -5.901 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.340 -1.331 -7.605 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.258 -1.963 -8.984 1.00 0.00 C ATOM 1408 CD GLU A 90 -12.288 -0.937 -10.100 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -13.237 -0.125 -10.134 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -11.363 -0.945 -10.939 1.00 0.00 O ATOM 0 H GLU A 90 -9.901 -1.605 -7.851 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.554 0.591 -8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.143 -2.094 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.356 -0.973 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.341 -2.547 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.089 -2.657 -9.111 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.058 -0.209 -4.999 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.189 0.279 -3.630 1.00 0.00 C ATOM 1419 C LEU A 91 -10.756 1.738 -3.528 1.00 0.00 C ATOM 1420 O LEU A 91 -11.392 2.539 -2.844 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.355 -0.581 -2.679 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.684 -0.449 -1.192 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.386 -1.750 -0.462 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.906 0.703 -0.573 1.00 0.00 C ATOM 0 H LEU A 91 -10.544 -1.086 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.239 0.211 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.475 -1.626 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.304 -0.330 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.748 -0.236 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.626 -1.637 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.989 -2.552 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.329 -1.994 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.153 0.782 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.837 0.521 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.170 1.633 -1.077 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.669 2.076 -4.215 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.152 3.439 -4.205 1.00 0.00 C ATOM 1438 C VAL A 92 -10.066 4.380 -4.983 1.00 0.00 C ATOM 1439 O VAL A 92 -10.575 5.359 -4.438 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.735 3.506 -4.804 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.348 4.947 -5.100 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.729 2.858 -3.865 1.00 0.00 C ATOM 0 H VAL A 92 -9.130 1.425 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.113 3.755 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.730 2.953 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.344 4.975 -5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.053 5.374 -5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.369 5.526 -4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.733 2.914 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.734 3.381 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.998 1.813 -3.708 1.00 0.00 H new ATOM 1452 N SER A 93 -10.270 4.075 -6.260 1.00 0.00 N ATOM 1453 CA SER A 93 -11.121 4.895 -7.115 1.00 0.00 C ATOM 1454 C SER A 93 -12.474 5.143 -6.457 1.00 0.00 C ATOM 1455 O SER A 93 -13.078 6.202 -6.633 1.00 0.00 O ATOM 1456 CB SER A 93 -11.318 4.218 -8.473 1.00 0.00 C ATOM 1457 OG SER A 93 -12.150 3.077 -8.358 1.00 0.00 O ATOM 0 H SER A 93 -9.858 3.266 -6.726 1.00 0.00 H new ATOM 0 HA SER A 93 -10.627 5.855 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.760 4.925 -9.175 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.350 3.927 -8.881 1.00 0.00 H new ATOM 0 HG SER A 93 -11.989 2.640 -7.496 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.945 4.161 -5.697 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.228 4.270 -5.013 1.00 0.00 C ATOM 1465 C TYR A 94 -14.182 5.353 -3.940 1.00 0.00 C ATOM 1466 O TYR A 94 -14.902 6.349 -4.015 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.611 2.929 -4.385 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.030 2.888 -3.864 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.409 3.649 -2.764 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -16.991 2.089 -4.469 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.704 3.615 -2.284 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.288 2.049 -3.996 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.640 2.813 -2.903 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.931 2.775 -2.429 1.00 0.00 O ATOM 0 H TYR A 94 -12.457 3.279 -5.539 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.982 4.546 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.482 2.140 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.926 2.712 -3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.679 4.278 -2.276 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -16.720 1.488 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.982 4.213 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.023 1.423 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.463 2.162 -2.978 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.331 5.151 -2.941 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.191 6.108 -1.849 1.00 0.00 C ATOM 1486 C TYR A 95 -12.967 7.518 -2.387 1.00 0.00 C ATOM 1487 O TYR A 95 -13.540 8.483 -1.884 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.030 5.707 -0.937 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.441 4.807 0.206 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.052 5.327 1.340 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.218 3.436 0.151 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.428 4.508 2.388 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.593 2.610 1.193 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.197 3.150 2.309 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.570 2.331 3.349 1.00 0.00 O ATOM 0 H TYR A 95 -12.727 4.333 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.116 6.101 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.270 5.201 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.570 6.608 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.236 6.389 1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.744 3.010 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.900 4.929 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.414 1.547 1.134 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.532 1.396 3.059 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.129 7.627 -3.413 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.828 8.918 -4.019 1.00 0.00 C ATOM 1507 C GLU A 96 -13.050 9.831 -3.988 1.00 0.00 C ATOM 1508 O GLU A 96 -12.933 11.038 -3.774 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.354 8.732 -5.462 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.926 8.223 -5.572 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.241 8.681 -6.845 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.745 8.354 -7.940 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -8.201 9.364 -6.747 1.00 0.00 O ATOM 0 H GLU A 96 -11.647 6.837 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.031 9.385 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.020 8.033 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.433 9.684 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.354 8.568 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.929 7.134 -5.537 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.224 9.247 -4.205 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.469 10.005 -4.201 1.00 0.00 C ATOM 1522 C LYS A 97 -16.093 10.020 -2.810 1.00 0.00 C ATOM 1523 O LYS A 97 -16.580 11.053 -2.348 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.456 9.409 -5.208 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.147 9.772 -6.650 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.646 11.166 -6.993 1.00 0.00 C ATOM 1527 CE LYS A 97 -16.427 11.490 -8.463 1.00 0.00 C ATOM 1528 NZ LYS A 97 -17.527 10.964 -9.317 1.00 0.00 N ATOM 0 H LYS A 97 -14.339 8.250 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.241 11.031 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.454 8.324 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.462 9.750 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.071 9.718 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.610 9.044 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -17.707 11.242 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.129 11.901 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.354 12.570 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.478 11.066 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.340 11.206 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.581 9.930 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.429 11.388 -9.021 1.00 0.00 H new ATOM 1542 N HIS A 98 -16.074 8.870 -2.145 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.637 8.752 -0.804 1.00 0.00 C ATOM 1544 C HIS A 98 -15.558 8.952 0.257 1.00 0.00 C ATOM 1545 O HIS A 98 -14.624 8.158 0.363 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.298 7.385 -0.624 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.513 7.191 -1.479 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.799 7.350 -1.007 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.632 6.850 -2.783 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.656 7.114 -1.983 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.974 6.808 -3.072 1.00 0.00 N ATOM 0 H HIS A 98 -15.675 8.006 -2.512 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.390 9.530 -0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.572 6.606 -0.856 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.576 7.260 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.822 6.648 -3.469 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.732 7.163 -1.904 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.378 6.578 -3.980 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.695 10.018 1.038 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.733 10.321 2.091 1.00 0.00 C ATOM 1562 C ALA A 99 -14.293 9.053 2.814 1.00 0.00 C ATOM 1563 O ALA A 99 -14.995 8.041 2.798 1.00 0.00 O ATOM 1564 CB ALA A 99 -15.328 11.315 3.078 1.00 0.00 C ATOM 0 H ALA A 99 -16.462 10.686 0.962 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.853 10.767 1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.599 11.533 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.586 12.236 2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.225 10.889 3.527 1.00 0.00 H new ATOM 1570 N LEU A 100 -13.127 9.114 3.448 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.592 7.969 4.177 1.00 0.00 C ATOM 1572 C LEU A 100 -12.518 8.263 5.672 1.00 0.00 C ATOM 1573 O LEU A 100 -13.076 7.528 6.488 1.00 0.00 O ATOM 1574 CB LEU A 100 -11.204 7.606 3.648 1.00 0.00 C ATOM 1575 CG LEU A 100 -10.402 6.614 4.492 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.736 5.184 4.096 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.910 6.875 4.347 1.00 0.00 C ATOM 0 H LEU A 100 -12.534 9.944 3.472 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.264 7.125 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.316 7.192 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.623 8.523 3.551 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.675 6.752 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.156 4.492 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.799 5.002 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.492 5.031 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.355 6.160 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.621 6.765 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.684 7.888 4.681 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.827 9.341 6.025 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.680 9.732 7.422 1.00 0.00 C ATOM 1591 C TYR A 101 -11.724 11.249 7.571 1.00 0.00 C ATOM 1592 O TYR A 101 -11.031 11.975 6.857 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.367 9.190 7.989 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.244 9.347 9.488 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.237 8.878 10.339 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.135 9.964 10.053 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.129 9.019 11.709 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.018 10.109 11.422 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.018 9.635 12.245 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.906 9.777 13.610 1.00 0.00 O ATOM 0 H TYR A 101 -11.360 9.960 5.363 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.513 9.307 7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.280 8.134 7.734 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.534 9.704 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -12.108 8.395 9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.351 10.337 9.411 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.910 8.649 12.356 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.149 10.591 11.845 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.064 10.231 13.824 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.544 11.722 8.504 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.680 13.153 8.747 1.00 0.00 C ATOM 1612 C ARG A 102 -12.996 13.897 7.453 1.00 0.00 C ATOM 1613 O ARG A 102 -12.644 15.067 7.294 1.00 0.00 O ATOM 1614 CB ARG A 102 -11.397 13.711 9.368 1.00 0.00 C ATOM 1615 CG ARG A 102 -10.683 12.725 10.278 1.00 0.00 C ATOM 1616 CD ARG A 102 -11.270 12.736 11.681 1.00 0.00 C ATOM 1617 NE ARG A 102 -10.760 13.847 12.479 1.00 0.00 N ATOM 1618 CZ ARG A 102 -11.374 15.020 12.583 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -12.515 15.234 11.943 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -10.847 15.983 13.329 1.00 0.00 N ATOM 0 H ARG A 102 -13.124 11.135 9.104 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.507 13.301 9.442 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.719 14.013 8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.639 14.608 9.937 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -10.758 11.722 9.859 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.623 12.973 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.356 12.803 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.037 11.795 12.179 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.884 13.715 12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.924 14.497 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.984 16.136 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.969 15.823 13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.320 16.883 13.408 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.662 13.212 6.530 1.00 0.00 N ATOM 1635 CA LYS A 103 -14.027 13.806 5.250 1.00 0.00 C ATOM 1636 C LYS A 103 -12.784 14.184 4.451 1.00 0.00 C ATOM 1637 O LYS A 103 -12.681 15.295 3.933 1.00 0.00 O ATOM 1638 CB LYS A 103 -14.900 15.044 5.469 1.00 0.00 C ATOM 1639 CG LYS A 103 -16.313 14.719 5.923 1.00 0.00 C ATOM 1640 CD LYS A 103 -17.287 15.822 5.547 1.00 0.00 C ATOM 1641 CE LYS A 103 -18.661 15.584 6.155 1.00 0.00 C ATOM 1642 NZ LYS A 103 -19.733 16.285 5.396 1.00 0.00 N ATOM 0 H LYS A 103 -13.960 12.243 6.645 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.591 13.066 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.427 15.685 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.947 15.614 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.634 13.780 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.325 14.575 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -16.899 16.782 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -17.373 15.879 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -18.869 14.514 6.173 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -18.665 15.927 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -20.654 16.098 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -19.548 17.308 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -19.747 15.939 4.415 1.00 0.00 H new ATOM 1656 N MET A 104 -11.842 13.251 4.354 1.00 0.00 N ATOM 1657 CA MET A 104 -10.607 13.486 3.616 1.00 0.00 C ATOM 1658 C MET A 104 -10.441 12.464 2.495 1.00 0.00 C ATOM 1659 O MET A 104 -9.704 11.488 2.637 1.00 0.00 O ATOM 1660 CB MET A 104 -9.404 13.426 4.559 1.00 0.00 C ATOM 1661 CG MET A 104 -8.065 13.491 3.842 1.00 0.00 C ATOM 1662 SD MET A 104 -6.759 12.620 4.729 1.00 0.00 S ATOM 1663 CE MET A 104 -6.807 11.023 3.919 1.00 0.00 C ATOM 0 H MET A 104 -11.911 12.326 4.777 1.00 0.00 H new ATOM 0 HA MET A 104 -10.662 14.480 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.467 14.251 5.268 1.00 0.00 H new ATOM 0 HB3 MET A 104 -9.452 12.504 5.138 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.170 13.063 2.845 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.777 14.534 3.712 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.790 10.658 3.774 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.361 10.318 4.538 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.299 11.121 2.951 1.00 0.00 H new ATOM 1673 N ARG A 105 -11.130 12.695 1.383 1.00 0.00 N ATOM 1674 CA ARG A 105 -11.059 11.793 0.239 1.00 0.00 C ATOM 1675 C ARG A 105 -9.661 11.799 -0.372 1.00 0.00 C ATOM 1676 O ARG A 105 -9.082 12.858 -0.616 1.00 0.00 O ATOM 1677 CB ARG A 105 -12.090 12.194 -0.817 1.00 0.00 C ATOM 1678 CG ARG A 105 -13.513 12.262 -0.286 1.00 0.00 C ATOM 1679 CD ARG A 105 -14.367 13.221 -1.099 1.00 0.00 C ATOM 1680 NE ARG A 105 -14.099 14.616 -0.759 1.00 0.00 N ATOM 1681 CZ ARG A 105 -14.626 15.646 -1.411 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.445 15.439 -2.433 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -14.334 16.887 -1.042 1.00 0.00 N ATOM 0 H ARG A 105 -11.744 13.499 1.249 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.280 10.784 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.818 13.166 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.052 11.479 -1.639 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.959 11.268 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.498 12.581 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.177 13.064 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -15.421 13.002 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.473 14.810 0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.672 14.487 -2.720 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.848 16.232 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.704 17.051 -0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.740 17.677 -1.544 1.00 0.00 H new ATOM 1697 N LEU A 106 -9.123 10.609 -0.616 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.792 10.475 -1.198 1.00 0.00 C ATOM 1699 C LEU A 106 -7.614 11.431 -2.373 1.00 0.00 C ATOM 1700 O LEU A 106 -8.372 11.388 -3.341 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.557 9.035 -1.656 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.963 7.941 -0.668 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.691 6.564 -1.255 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.227 8.115 0.652 1.00 0.00 C ATOM 0 H LEU A 106 -9.588 9.723 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.059 10.730 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.103 8.877 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.498 8.916 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.033 8.028 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.986 5.798 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.264 6.441 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.628 6.465 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.528 7.328 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.152 8.055 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.472 9.087 1.080 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.604 12.291 -2.281 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.325 13.256 -3.337 1.00 0.00 C ATOM 1718 C ARG A 107 -4.934 13.034 -3.924 1.00 0.00 C ATOM 1719 O ARG A 107 -4.746 13.088 -5.139 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.440 14.683 -2.797 1.00 0.00 C ATOM 1721 CG ARG A 107 -7.874 15.162 -2.642 1.00 0.00 C ATOM 1722 CD ARG A 107 -7.949 16.678 -2.557 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.953 17.301 -3.878 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.392 18.533 -4.108 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -8.860 19.271 -3.110 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.363 19.030 -5.338 1.00 0.00 N ATOM 0 H ARG A 107 -5.966 12.339 -1.486 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.061 13.113 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.941 14.738 -1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.910 15.360 -3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.468 14.814 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.310 14.724 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.851 16.967 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.101 17.051 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.599 16.760 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.883 18.892 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.197 20.217 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.003 18.466 -6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.700 19.976 -5.514 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.964 12.783 -3.052 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.590 12.555 -3.483 1.00 0.00 C ATOM 1742 C TYR A 108 -2.111 11.167 -3.067 1.00 0.00 C ATOM 1743 O TYR A 108 -1.677 10.945 -1.937 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.665 13.623 -2.895 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.195 15.031 -3.044 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.236 15.651 -4.287 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.655 15.741 -1.942 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.719 16.938 -4.427 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.140 17.028 -2.073 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.170 17.622 -3.318 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.652 18.904 -3.454 1.00 0.00 O ATOM 0 H TYR A 108 -4.104 12.732 -2.043 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.562 12.618 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.508 13.413 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.692 13.557 -3.381 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.884 15.118 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.633 15.279 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.743 17.406 -5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.494 17.566 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.930 19.243 -2.578 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.191 10.210 -4.003 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.771 8.827 -3.759 1.00 0.00 C ATOM 1763 C PRO A 109 -0.258 8.698 -3.617 1.00 0.00 C ATOM 1764 O PRO A 109 0.447 8.431 -4.590 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.256 8.084 -5.006 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.319 9.126 -6.068 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.698 10.404 -5.372 1.00 0.00 C ATOM 0 HA PRO A 109 -2.179 8.435 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.571 7.281 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.232 7.628 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.358 9.227 -6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.054 8.863 -6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.243 11.272 -5.850 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.776 10.563 -5.382 1.00 0.00 H new ATOM 1775 N VAL A 110 0.235 8.889 -2.397 1.00 0.00 N ATOM 1776 CA VAL A 110 1.665 8.792 -2.127 1.00 0.00 C ATOM 1777 C VAL A 110 2.322 7.742 -3.016 1.00 0.00 C ATOM 1778 O VAL A 110 1.823 6.624 -3.150 1.00 0.00 O ATOM 1779 CB VAL A 110 1.935 8.442 -0.652 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.423 8.235 -0.415 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.388 9.528 0.262 1.00 0.00 C ATOM 0 H VAL A 110 -0.334 9.112 -1.581 1.00 0.00 H new ATOM 0 HA VAL A 110 2.095 9.769 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 110 1.421 7.509 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.594 7.989 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.781 7.419 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.962 9.149 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.588 9.264 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.871 10.477 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.313 9.622 0.112 1.00 0.00 H new ATOM 1791 N THR A 111 3.447 8.108 -3.622 1.00 0.00 N ATOM 1792 CA THR A 111 4.174 7.199 -4.499 1.00 0.00 C ATOM 1793 C THR A 111 5.671 7.238 -4.214 1.00 0.00 C ATOM 1794 O THR A 111 6.197 8.206 -3.664 1.00 0.00 O ATOM 1795 CB THR A 111 3.936 7.539 -5.983 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.881 8.959 -6.157 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.643 6.912 -6.482 1.00 0.00 C ATOM 0 H THR A 111 3.875 9.029 -3.521 1.00 0.00 H new ATOM 0 HA THR A 111 3.795 6.197 -4.298 1.00 0.00 H new ATOM 0 HB THR A 111 4.765 7.133 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.731 9.167 -7.103 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.497 7.166 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.699 5.829 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.805 7.291 -5.897 1.00 0.00 H new ATOM 1805 N PRO A 112 6.375 6.163 -4.597 1.00 0.00 N ATOM 1806 CA PRO A 112 7.823 6.052 -4.393 1.00 0.00 C ATOM 1807 C PRO A 112 8.609 7.006 -5.285 1.00 0.00 C ATOM 1808 O PRO A 112 9.816 7.175 -5.116 1.00 0.00 O ATOM 1809 CB PRO A 112 8.123 4.599 -4.769 1.00 0.00 C ATOM 1810 CG PRO A 112 7.033 4.217 -5.709 1.00 0.00 C ATOM 1811 CD PRO A 112 5.813 4.973 -5.258 1.00 0.00 C ATOM 0 HA PRO A 112 8.112 6.312 -3.375 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.102 4.506 -5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.130 3.956 -3.889 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.295 4.475 -6.735 1.00 0.00 H new ATOM 0 HG3 PRO A 112 6.857 3.142 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.175 5.244 -6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.205 4.382 -4.573 1.00 0.00 H new ATOM 1819 N GLU A 113 7.916 7.627 -6.234 1.00 0.00 N ATOM 1820 CA GLU A 113 8.551 8.565 -7.153 1.00 0.00 C ATOM 1821 C GLU A 113 8.439 9.996 -6.635 1.00 0.00 C ATOM 1822 O GLU A 113 9.355 10.802 -6.801 1.00 0.00 O ATOM 1823 CB GLU A 113 7.916 8.462 -8.541 1.00 0.00 C ATOM 1824 CG GLU A 113 8.195 9.664 -9.429 1.00 0.00 C ATOM 1825 CD GLU A 113 8.209 9.310 -10.903 1.00 0.00 C ATOM 1826 OE1 GLU A 113 7.120 9.260 -11.512 1.00 0.00 O ATOM 1827 OE2 GLU A 113 9.309 9.084 -11.448 1.00 0.00 O ATOM 0 H GLU A 113 6.916 7.498 -6.387 1.00 0.00 H new ATOM 0 HA GLU A 113 9.607 8.305 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.285 7.563 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 113 6.838 8.345 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.437 10.427 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.156 10.098 -9.154 1.00 0.00 H new ATOM 1834 N LEU A 114 7.310 10.304 -6.007 1.00 0.00 N ATOM 1835 CA LEU A 114 7.076 11.637 -5.464 1.00 0.00 C ATOM 1836 C LEU A 114 8.110 11.980 -4.396 1.00 0.00 C ATOM 1837 O LEU A 114 8.707 13.057 -4.418 1.00 0.00 O ATOM 1838 CB LEU A 114 5.668 11.729 -4.873 1.00 0.00 C ATOM 1839 CG LEU A 114 5.194 13.129 -4.480 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.676 13.209 -4.518 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.717 13.501 -3.100 1.00 0.00 C ATOM 0 H LEU A 114 6.542 9.649 -5.861 1.00 0.00 H new ATOM 0 HA LEU A 114 7.170 12.355 -6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.964 11.319 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.624 11.091 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 114 5.592 13.843 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.357 14.212 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.325 12.987 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.256 12.485 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.370 14.500 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.349 12.784 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.807 13.486 -3.108 1.00 0.00 H new ATOM 1853 N LEU A 115 8.319 11.057 -3.465 1.00 0.00 N ATOM 1854 CA LEU A 115 9.284 11.259 -2.389 1.00 0.00 C ATOM 1855 C LEU A 115 10.589 11.836 -2.930 1.00 0.00 C ATOM 1856 O LEU A 115 11.069 12.863 -2.452 1.00 0.00 O ATOM 1857 CB LEU A 115 9.557 9.939 -1.667 1.00 0.00 C ATOM 1858 CG LEU A 115 8.656 9.630 -0.471 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.825 10.685 0.611 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.202 9.539 -0.908 1.00 0.00 C ATOM 0 H LEU A 115 7.833 10.161 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 115 8.859 11.971 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.461 9.127 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.592 9.942 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 115 8.951 8.665 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.176 10.449 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.862 10.701 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.558 11.663 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.575 9.318 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.894 10.488 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.093 8.745 -1.647 1.00 0.00 H new ATOM 1872 N GLU A 116 11.156 11.168 -3.930 1.00 0.00 N ATOM 1873 CA GLU A 116 12.404 11.615 -4.536 1.00 0.00 C ATOM 1874 C GLU A 116 12.206 12.933 -5.280 1.00 0.00 C ATOM 1875 O GLU A 116 13.064 13.815 -5.241 1.00 0.00 O ATOM 1876 CB GLU A 116 12.941 10.551 -5.495 1.00 0.00 C ATOM 1877 CG GLU A 116 13.399 9.280 -4.800 1.00 0.00 C ATOM 1878 CD GLU A 116 14.743 9.441 -4.116 1.00 0.00 C ATOM 1879 OE1 GLU A 116 14.769 9.923 -2.964 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.769 9.084 -4.733 1.00 0.00 O ATOM 0 H GLU A 116 10.771 10.316 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 116 13.129 11.773 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.164 10.300 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.776 10.969 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.653 8.985 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.462 8.473 -5.530 1.00 0.00 H new ATOM 1887 N ARG A 117 11.069 13.058 -5.957 1.00 0.00 N ATOM 1888 CA ARG A 117 10.759 14.266 -6.712 1.00 0.00 C ATOM 1889 C ARG A 117 10.710 15.483 -5.793 1.00 0.00 C ATOM 1890 O ARG A 117 11.106 16.583 -6.181 1.00 0.00 O ATOM 1891 CB ARG A 117 9.422 14.109 -7.440 1.00 0.00 C ATOM 1892 CG ARG A 117 8.834 15.425 -7.923 1.00 0.00 C ATOM 1893 CD ARG A 117 7.490 15.217 -8.603 1.00 0.00 C ATOM 1894 NE ARG A 117 6.846 16.484 -8.941 1.00 0.00 N ATOM 1895 CZ ARG A 117 5.700 16.571 -9.608 1.00 0.00 C ATOM 1896 NH1 ARG A 117 5.076 15.471 -10.006 1.00 0.00 N ATOM 1897 NH2 ARG A 117 5.177 17.760 -9.877 1.00 0.00 N ATOM 0 H ARG A 117 10.348 12.338 -5.998 1.00 0.00 H new ATOM 0 HA ARG A 117 11.549 14.418 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.559 13.446 -8.295 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.709 13.625 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.715 16.104 -7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.525 15.900 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.630 14.628 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.837 14.642 -7.947 1.00 0.00 H new ATOM 0 HE ARG A 117 7.301 17.349 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.475 14.555 -9.800 1.00 0.00 H new ATOM 0 HH12 ARG A 117 4.196 15.540 -10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.655 18.608 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.297 17.826 -10.389 1.00 0.00 H new ATOM 1911 N TYR A 118 10.221 15.279 -4.575 1.00 0.00 N ATOM 1912 CA TYR A 118 10.118 16.360 -3.602 1.00 0.00 C ATOM 1913 C TYR A 118 11.448 16.580 -2.888 1.00 0.00 C ATOM 1914 O TYR A 118 11.952 17.701 -2.820 1.00 0.00 O ATOM 1915 CB TYR A 118 9.022 16.052 -2.580 1.00 0.00 C ATOM 1916 CG TYR A 118 7.624 16.315 -3.094 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.259 15.956 -4.385 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.670 16.922 -2.288 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.983 16.195 -4.859 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.391 17.163 -2.752 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.053 16.798 -4.039 1.00 0.00 C ATOM 1922 OH TYR A 118 3.781 17.037 -4.506 1.00 0.00 O ATOM 0 H TYR A 118 9.890 14.375 -4.238 1.00 0.00 H new ATOM 0 HA TYR A 118 9.859 17.273 -4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 118 9.099 15.007 -2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 118 9.191 16.653 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.985 15.482 -5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.932 17.211 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.716 15.911 -5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.660 17.634 -2.111 1.00 0.00 H new ATOM 0 HH TYR A 118 3.250 17.466 -3.803 1.00 0.00 H new ATOM 1932 N SER A 119 12.012 15.499 -2.356 1.00 0.00 N ATOM 1933 CA SER A 119 13.282 15.572 -1.644 1.00 0.00 C ATOM 1934 C SER A 119 14.443 15.736 -2.619 1.00 0.00 C ATOM 1935 O SER A 119 15.130 14.770 -2.952 1.00 0.00 O ATOM 1936 CB SER A 119 13.487 14.317 -0.794 1.00 0.00 C ATOM 1937 OG SER A 119 13.649 13.170 -1.610 1.00 0.00 O ATOM 0 H SER A 119 11.609 14.563 -2.405 1.00 0.00 H new ATOM 0 HA SER A 119 13.254 16.444 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.364 14.443 -0.160 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.632 14.179 -0.132 1.00 0.00 H new ATOM 0 HG SER A 119 14.400 13.309 -2.224 1.00 0.00 H new